click on publication numbers for more information
"Research papers are detailed records of how effort and time - even lives - have been spent, and a knowledgeable person can by reading a research paper judge the quality of the 'minds and hands' of the authors."
"It has often been said / there's so much to be read, / you never can cram / all those words in your head. / So the writer who breeds / more words than he needs / is making a chore / for the reader who reads."
Dr. Seuss
Publications
-submitted-
(405) Cao, Y.; Tantillo, D. J., submitted: "Substituent and Metal Effects on C–C σ-Complex Stabilization," iinvoted for the special issue in honnor of Thomas Strasser.
(404) Buldt, J. A.; Kong, W.-K.; Kraemer, Y.; Belsuzarri, M.; Patel, A. H.; Fettinger, J. C.; Tantillo, D. J.; Pitts, C. R., submitted: "Controlled Oligomerization of [1.1.1]Propellane through Radical Polarity Matching: Selective Synthesis of SF5- and CF3SF4-Containing [2]Staffanes," invited.
(403) Castro-Falcón, G.; Guillén-Matus, D.; Da Silva, E. B.; Guo, W.; Ross, A.; Serafim, M.; Fernandes, T. H. M.; Tantillo, D. J.; O'Donoghue, A. J.; Jensen, P. R., submitted: "Structure Elucidation, Biosynthetic Gene Cluster Distribution, and Biological Activities of Ketomemicin Analogs in Salinispora"
(402) Caster, R.; Luu, E.; Tsui, I.; Schaffer, A.; Zhang, G.; Shafaat, H.; Arredondo, A.; Cui, Y.; Hammock, B.; Tantillo, D. J.; Siegel, J. B., submitted: "Discovery and Molecular Elucidation of Pervasive Aflatoxin B1 Oxidation Activity in the Laccase Superfamily"
(401) Jia, M.; Nagae, K.; Wada, N.; Li, J.; Lemke, C.; Li, Y.; Roach, K; Tantillo, D. J.; Fujita, M.; Peters, R. J., submitted: "From cis to trans: Stereochemical Inversion by Class II Diterpene Cyclases"
(400) Ponath, S.; Joshi, C.; Merrill, A. T.; Schmidts, V.; Greis, K.; Lettow, M.; Weber, M.; Steinhauer, S.; Pagel, K.; Thiele, C.; Tantillo, D. J.; Vetticatt, M. J.; Christmann, M., submitted: "On Stereocontrol in Organocatalytic α-Chlorinations of Aldehydes"
-2024-
(399) Lee, J.; Tantillo, D. J.; Wang, L.-P.; Fiehn, O. J. Chem. Theor. Comput., in press: "Impact of Protonation Sites on Collision Induced Dissociation-MS/MS"
(398) Lee, J.; Tantillo, D. J.; Wang, L.-P.; Fiehn, O. J. Chem. Theor. Comput., in press: "Predicting Collision-induced-dissociation Tandem Mass Spectra"
(397) Iyer, R. N.; Favela, D.; Zhang, G.; Domokos, A.; Avanes, A. A.; Carter, S. J.; Basargin, A. G.; Davis, A.; Tantillo, D. J.; Olson, D. E. Nature Chem., in press: "Efficient and Modular Synthesis of Ibogaine and Related Alkaloids"
(396) Sutter, P. J.; Kasper, K.; Walker, B.; Kojasoy, V.; Tantillo, D. J.; Romo, D. J. Org. Chem., in press: "Radical Reactions with Chiral Acylammonium Salts: Synthesis of Functionalized delta-Lactams Through Giese-Initiated Organocascades"
(395) Guo, W.; Kong, W.-Y.; Tantillo, D. J. Chem. Sci. 2024, 15, 15577-15587: "Revisiting a Classic Carbocation – DFT, Coupled-Cluster, and ab initio Molecular Dynamics Computations on Barbaralyl Cation Formation and Rearrangements," featured on the inside cover.
(394) Xu, B.; Zhang, Z.; Tantillo, D. J.; Dai, M. J. Am. Chem. Soc. 2024, 146, 21250-21256: "Concise Total Syntheses of (–)-Crinipellins A and B Enabled by a Controlled Cargill Rearrangement," highlighted in SYNFACTS.
(393) Awakawa, T.; Mori. T.; Barra, L.; Ahmed, Y.; Ushimaru, R.; Gao, Y.; Moriya, T.; Adachi, N.; Kawasaki, M.; Senda, T.; Terada, T.; Tantillo, D. J.; Abe, I. Nature Catal., in press: "The Structural Basis of Pyridoxal 5’-Phosphate Dependent β-NAD Alkylating Enzyme"
(392) Hashimoto, Y.; Kong, W.-Y.; Tantillo, D. J. Org. Lett. 2024, 26, 5441-5446: "Discovery of a Formal Dyotropic Rearrangement during Acid-mediated Dioxabicyclo[4.2.1]nonanone Formation"
(391) Banjare, S. K.; Kumar, S.; Afreen S.; Kong, W.-K.; Guo, W.; Nanda, T.; Adhikari, G. K. D.; Preeyanka, N.; Tantillo, D. J.; Ravikumar, P. C. J. Org. Chem. 2024, 89, 9187-9197: "Cobalt-Catalyzed Deacylative Ipso-C-C Bond Functionalization: An Approach Towards Indole-Acyloins and Its Photophysical Studies"
(390) Tantillo, D. J. Acc. Chem. Res. 2024, 57, 1931-1940: "Chemical Interrogation of Reactions Promoted by Dirhodium Tetracarboxylate Catalysts – Mechanism, Selectivity and Non-statistical Dynamic Effects," featured on the cover.
(389) Torrence, I. S.; O'Brien, T. E.; Siegel, J. B.; Tantillo, D. J. Methods in Enzymology 2024, 699, 231-263: "Docking Carbocations into Terpene Synthase Active Sites using Chemically Meaningful Constraints – The TerDockin Approach", invited.
(388) Li, Z.; Jindani, S.; Kojasoy, V.; Ortega, T.; Marshall, E.; Abboud, K. A.; Loesgen, S.; Tantillo, D. J.; Rudolf, J. D. Belistein J. Org. Chem. 2024, 20, 1320-1326: "Computation-guided Scaffold Exploration of 2E,6E-1,10-trans/cis Eunicellanes"
(387) Tantillo, D. J. Tetrahedron Lett. 2024, 143, 155113: "Energetics of Proposed Cyclizations for the Biosynthesis of Daphenoid A and Artatrovirenols A and B", invited for special issue in honor of Tom Maimone's receipt of the 2024 Tetrahedron Young Investigator Award in Organic Synthesis.
(386) Guo, W.; Robinson, E. E.; Thomson, R. J.; Tantillo, D. J. Org. Lett. 2024, 26, 4606-4609: "Heavy Atom Quantum Mechanical Tunneling in Total Synthesis"
(385) Desnoo, W.; Kong, W.-Y.; Tantillo, D. J. Angew. Chem. Int. Ed. 2024, 63, e202406095: "Allyl-Allyl Coupling Promoted by Catalyst Systems with two Palladium Atoms – A Plethora of Potentially Pericyclic Processes," chosen as a "hot paper".
(384) Zhang, J.; Kong, W.-Y.; Guo, W.; Tantillo, D. J.; Tang, Y. J. Am. Chem. Soc. 2024, 146, 13983-13999 : "Combined Computational and Experimental Study Reveals Complex Mechanistic Landscape of Brønsted Acid-catalyzed Silane-dependent P=O Reduction"
(383) Campos, R. B.; Capato, L. A.; Soares, P. M.; Tantillo, D. J.; Orth, E. S. ChemPlusChem 2024, 89, e202300756: "Thio-induced Organophosphate Breakdown Promoted by Methimazole: an Experimental and Theoretical Study"
(382) Guo, W.; Tantillo, D. J. J. Am. Chem. Soc. 2024, 146, 7039-7051: "Running Wild through Dirhodium Tetracarboxylate-Catalyzed Combined CH(C)-Functionalization/Cope Rearrangement Landscapes. Does Post-Transition-State Dynamic Mismatching Influence Product Distributions?"
(381) Kraemer, Y.; Buldt, J. A.; Stephens, A. M.; Kong, W.-K.; Ragan, A. N.; Haidar, Z. C.; Patel, A. H.; Fettinger, J. C.; Tantillo, D. J.; Pitts, C. R. Angew. Chem. Int. Ed. 2024, 63, e202319930: "Overcoming a Radical Polarity Mismatch in Strain-Release Pentafluorosulfanylation of [1.1.0]Bicyclobutanes: An Entryway to Sulfone- and Carbonyl-Containing SF5–Cyclobutanes"
(380) Cao, Y.; Kong, W.-Y.; Desnoo, W.; Tantillo, D. J. Eur. J. Org. Chem. 2024, 27, e202301183: "Metallocarbenes as Substituents in 8-Electron Electrocyclizations", invited for special issue on physical organic chemistry, chosen as a "very important paper".
(379) Hardy, M. A.; Feng, Z.; Kerschgens, I.; Massey, L. A.; Tantillo, D. J.; Sarpong, R. Angew. Chem. Int. Ed. 2024, 63, e202317348: "Unified Synthesis of 2-Isocyanoallopupukeanane and 9-Isocyanopupukeanane through a 'Contra-biosynthetic' Rearrangement"
(378) Zhou, Q.; Sun, P.; Xiong, H.-M.; Xie, J.; Zhu, G.-Y.; Tantillo, D. J.; Huang, A. C. New Phytologist 2024, 241, 764-778: "Insight into Neofunctionalization of 2,3-Oxidosqualene Cyclases in B,C-Ring-opened Triterpene Biosynthesis in Quinoa"
(377) Wakchaure, V. N.; Desnoo, W.; Laconsay, C. J.; Leutzsch, N.; Tsuji, N.; Tantillo, D. J.; List, B. Nature 2024, 625, 287-292: "Catalytic Asymmetric Cationic Shifts of Aliphatic Hydrocarbons," highlighted in SYNFACTS.
(376) Feng, Z.; Guo, W.; Kong, W.-K.; Chen., D.; Wang, S.; Tantillo, D. J. Nature Chem. 2024, 16, 615-623: "Analogies between Photochemical Reactions and Ground State Post-Transition-State Bifurcations Shed Light on Dynamical Origins of Selectivity"
-2023-
(375) Hu, M.; Ding, H.; Desnoo, W.; Tantillo, D. J.; Nairoukh, Z. Angew. Chem. Int. Ed. 2023, 62, e202315108: "The Construction of Highly Substituted Piperidines via Dearomative Functionalization Reaction"
(374) Tantillo, D. J. Am. Sci. 2023, 111, 340-344: "(Don't) Shut Your π-Hole," featured on the cover.
(373) Harmange Magnani, C. S.; Hernández-Meléndez, J. R.; Tantillo, D. J.; Maimone, T. J. JACS Au 2023, 3, 2883-2893: "Total Synthesis of Altemicidin: A Surprise Ending for a Monoterpene Alkaloid"
(372) Angles, S. N.; Guo, W.; Darko, K.; Erzuah, M.; Pauley, K.; Promise, I. E.; Goodell, J. R.; Tantillo, D. J.; Mitchell, T. A. Org. Lett. 2023, 25, 7137-7141: "Net Intermolecular Silyloxypyrone-based (5 + 2) Cycloadditions Utilizing Amides as Enabling and Cleavable Tethers"
(371) Wang, Z.; Yang, Q.; He, J.; Li, H.; Pan, X.; Li, Z.; Xu, H.-M.; Rudolf, J. D.; Tantillo, D. J.; Dong, L.-B. Angew. Chem. Int. Ed. 2023, 62, e202312490: "Cytochrome P450-Mediated Cyclization in Eunicellane Derived Diterpenoid Biosynthesis," chosen as a very important paper.
(370) Manna, S.; Paul, S.; Kong, W.-Y.; Aich, D.; Sahoo, R.; Tantillo, D. J.; Panda, S. Angew. Chem. Int. Ed. 2023, 62, e202309136: "Stereodivergent Zweifel Olefination and its Mechanistic Dichotomy"
(369) Mancinelli, J. P.; Kong, W.-Y.; Guo, W.; Tantillo, D. J.; Wilkerson-Hill, S. M. J. Am. Chem. Soc. 2023, 145, 17389-17397: "Borane-Catalyzed C–F Bond Functionalization of gem-Difluorocyclopropenes Enables the Synthesis of Orphaned Cyclopropanes" (correction: J. Am. Chem. Soc. 2023, 145, 24434-24435)
(368) Jha, N.; Guo, W.; Kong, W.-Y.; Tantillo, D. J.; Kapur, M. Chem. Eur. J. 2023, 29, e2023015: "Regiocontrol via Electronics: Insights into a Ru-catalyzed, Cu-mediated Site-selective Alkylation of Isoquinolones via a C–C Bond Activation of Cyclopropanols"
(367) Laconsay, C. J.; Tantillo, D. J. J. Org. Chem. 2023, 88, 9056-9065: "Modulating Escape Channels of Cycloheptatrienyl Rhodium Carbenes to Form Semibullvalene"
(366) Gao, M.; Ruiz, J. M.; Jimenez, E.; Lo, A.; Laconsay, C. J.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Chem. Sci. 2023, 14, 6443-6448: "Catalytic Generation of ortho-Quinone Dimethides via Donor/Donor Rhodium Carbenes"
(365) Kazim, M.; Feng, Z.; Vemulapalli, S.; Siegler, M. A.; Chopra, A.; Nguyen, P. M.; Holl, M. G.; Guan, L.; Dudding, T.; Tantillo, D. J.; Lectka, T. Chem. Eur. J. 2023, 29, e202301550: "Through-Space, Lone-Pair Promoted Aromatic Substitution: A Relay Mechanism Can Beat Out Direct Activation"
(364) Sanchez, A.; Gurajapu, A.; Guo, W.; Kong, W.-Y.; Laconsay, C. J.; Settineri, N. S.; Tantillo, D. J.; Maimone, T. J. J. Am. Chem. Soc. 2023, 145, 13452-13461: "A Shapeshifting Roadmap for Polycyclic Skeletal Evolution"
(363) Youman, A. J.; Rokey, S. N.; Grabowski, J. P.; Guo, W.; Sun, Q.; Angles, S.; Goodell, J. R.; Tantillo, D. J.; Mitchell, T. A. J. Org. Chem. 2023, 88, 5972-5981: "Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-based (5 + 2) Cycloadditions"
(362) Kojasoy, V.; Tantillo, D. J. J. Phys. Chem. A 2023, 127, 2081-2090: "Importance of Noncovalent Interactions Involving Sulfur Atoms in Thiopeptide Antibiotics – Glycothiohexide α and Nocathiacin I"
(361) Ahmed, Y. G.; Tantillo, D. J. Angew. Chem. Int. Ed. 2023, 62, e202300288: "Designing an Apparently Orbital Symmetry Forbidden [3s,5s] Sigmatropic Shift through Transition State Complexation and Stereoelectronic Effects"
(360) Fernandez, G. E.; Maiti, D.; Tantillo, D. J. Chem. Eur. J. 2023, 29, e202300124: "Mechanism and Origins of Site-selectivity of Template-Directed C-H Insertion of Quinolines," invited for special issue on "Mechanisms and Selectivities of Organic Reactions" in honor of Prof. Kendall N. Houk’s 80th birthday, chosen as a "hot paper", featured on the inside front cover.
(359) Li, Z.; Xu, B.; Kojasoy, V.; Ortega, T.; Adpressa, D. A.; Ning, W.; Wei, X.; Liu, J.; Tantillo, D. J.; Loesgen, S.; Rudolf, J. D. Chem 2023, 9, 698-708: "First trans-Eunicellane Terpene Synthase in Bacteria"
(358) Tantillo, D. J.; Seeman, J. I. Foundations of Chemistry 2023, 25, 299-320: "On a Unified Theory of Acids and Bases. Hasok Chang, Eric R. Scerri, Modern Theoretical Chemistry, and the Philosophy of Chemistry"
(357) Kojasoy, V.; Tantillo, D. J. Org. Biomol. Chem. 2023, 21, 11-23: "Impacts of Noncovalent Interactions Involving Sulfur Atoms on Protein Stability, Structure, Folding, and Bioactivity," featured on the inside front cover.
(356) Nagtilak, P. J.; Mane, M. V.; Prasad, S.; Cavallo, L.; Tantillo, D. J.; Kapur, M. Chem. Eur. J. 2023, 29, e202203055: "Merging Rh-catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons"
(355) Merrill, A. T; Guo, W.; Tantillo, D. J.: "NMR Prediction with Computational Chemistry," in Enabling Tools and Techniques for Organic Synthesis: A Practical Guide to Experimentation, Automation, and Computation, Stephen G. Newman, Ed., Wiley, 2023, pp 313-392, invited.
-2022-
(354) Wang, S.; Kind, T.; Bremer, P. L.; Tantillo, D. J.; Fiehn, O. J. Chem. Inf. Model. 2022, 62, 4403-4410: "Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited State Molecular Dynamics"
(353) Hashimoto, Y.; Tantillo, D. J. J. Org. Chem. 2022, 87, 12954-12962: "Mechanism and the Origins of Periselectivity in Cycloaddition Reactions of Benzyne with Dienes"
(352) Nanda, T.; Banjare, S. K.; Kong, W.-K.; Guo, W.; Biswal, P.; Gupta, L.; Linda, A.; Pati, B. V.; Mohanty, S. R.; Tantillo, D. J.; Ravikumar, P. C. ACS Catal. 2022, 12, 11651-11659: "Breaking The Monotony: Cobalt and Maleimide as an Entrant to the Olefin Mediated ortho C-H Functionalization"
(351) Corrie, S. I.; Pearce, A. C.; Grabowski, J. P.; Randolph. K.; Guo, W.; Tantillo, D. J.; Mitchell, T. A. Tetrahedron Lett. 2022, 107, 154094: "Boron-tethered Oxidopyrylium-based [5+2] Cycloadditions"
(350) Guo, W.; Hare, S. R.; Chen. S.-S.; Saunders, C.; Tantillo, D. J. J. Am. Chem. Soc. 2022, 144, 17219-17231: "C-H Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions Despite Dynamical Tendencies Toward Fragmentation – Implications for Reaction Efficiency and Catalyst Design" (corrections: J. Am. Chem. Soc. 2022, 144, 20134; J. Am. Chem. Soc. 2023, 145, 23505-23508)
(349) Soysal, E. N.; Findik, V.; Dedeoglu, B.; Aviyente, V.; Tantillo, D. J. ACS Omega 2022, 7, 31591-31596: "Theoretical Investigation of the Biogenetic Pathway for Formation of Antibacterial Indole Alkaloids from Voacanga africana"
(348) Tantillo, D. J.; Seeman, J. I. Chem. Sci. 2022, 13, 11461-11486: "Understanding Chemistry: From 'Heuristic (Soft) Explanations and Reasoning by Analogy' to 'Quantum Chemistry'"
(347) Tiedge, K.; Li, X.; Merrill, A. T.; Davisson, D.; Chen, Y.; Yu, P.; Tantillo, D. J.; Last, R. L.; Zerbe, P. New Phytologist 2022, 236, 1393-1408: "ComparativeTranscriptomics and Metabolomics Reveal Specialized Metabolite Drought Stress Responses in Switchgrass (Panicum virgatum L.)"
(346) Merrill, A. T.; Tantillo, D. J. J. Nat. Prod. 2022, 85, 1912-1917: "Reconsideration of the Structures of Stemara-13(14)-en-18-ol and Related Diterpene Natural Products: Vinylic Hydrogen Chemical Shifts are Key"
(345) Ragan, A. N.; Kraemer, Y.; Kong, W.-Y.; Prasad, S.; Tantillo, D. J.; Pitts, C. R. Angew. Chem. Int. Ed. 2022, 61, e202208046: "Evidence for C–F Bond Formation through Formal Reductive Elimination from Tellurium(VI)'"
(344) Tantillo, D. J. J. Am. Chem. Soc. 2022, 144, 13996-14004: "Portable Models for Entropy Effects on Kinetic Selectivity," invited.
(343) Zarenkiewicz, J.; Perez-Ternero, C.; Kojasoy, V.; McGinty, C.; Khodade, V. S.; Lin, J.; Tantillo, D. J.; Toscano, J. P.; Hobbs, A. J.; Fukuto, J. M. Free Radical Biol. Med. 2022, 188, 459-467: "The Reaction of Hydropersulfides (RSSH) with S-Nitrosothiols (RS-NO) and the Biological/Physiological Implications"
(342) Lemke, C.; Roach, K.; Ortega, T.; Tantillo, D. J.; Siegel, J. B.; Peters, R. J. ACS Bio & Med Chem Au 2022, 2, 490-498: "Investigation of Acid-Base Catalysis in the Halimadienyl Diphosphate Synthase Involved in Mycobacterium tuberculosis Virulence"
(341) Zhang, Y.; Sayama, M.; Luo, M.; Lu, Y.; Tantillo, D. J. J. Chem. Educ. 2022, 99, 2721-2725: "Not that DDT – A Databank of Dynamics Trajectories for Organic Reaction"
(340) Wang, Q.; Shih, J.-L.; Tsui, K. T.; Laconsay, C. J.; Tantillo, D. J.; May, J. A. J. Org. Chem. 2022, 87, 8983-9000: "Experimental and Computational Mechanistic Study of Carbonazidate-Initiated Cascade Reactions"
(339) Nguyen, Q. N. N.; Xia, K. T.; Zhang, Y.; Chen, N.; Morimoto, M.; Pei, X.; Ha, Y.; Guo, J.; Yang, W.; Wang, L.-P.; Bergman, R. G.; Raymond, K. N.; Toste, F. D.; Tantillo, D. J. J. Am. Chem. Soc. 2022, 144, 11413-11424: "Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages"
(338) Bergstrom, B. D.; Merrill, A. T.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Angew. Chem. Int. Ed. 2022, 61, e202203072: "Divergent Asymmetric Synthesis of Panowamycins, TM-135, and Veramycin F Using C–H Insertion with Donor/Donor Carbenes"
(337) Gingrich, P. W.; Siegel, J. B.; Tantillo, D. J. J. Chem. Inf. Model. 2022, 62, 1979-1987: "Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling"
(336) Liang, J.; Merrill, A. T.; Laconsay, C. J.; Hou, A.; Pu, Q.; Dickschat, J. S.; Tantillo, D. J.; Wang, Q.; Peters, R. J. Org. Lett. 2022, 24, 2646-2649: "Deceptive Complexity in the Formation of Cleistantha-8,12-diene"
(RETRACTED) Prasad, S.; Tantillo, D. J. Organometallics 2022, 41, 937-947: "Roads Not Taken: Mechanism and Origins of Regio- and Chemoselectivity of Directed Co(III)-catalyzed Alkenylation of N-Pyridyl 2-Pyridone"
(335) Gingrich, P. W.; Siegel, J. B.; Tantillo, D. J. Chemistry-Methods 2022, 2, e202100108: "Regression Modeling for the Prediction of Hydrogen Atom Transfer Barriers in Cytochrome P450 from Semi-empirically Derived Descriptors"
(334) Laconsay, C. J.; Rho, T. C.; Tantillo, D. J. J. Org. Chem. 2022, 87, 3378-3388: "The Role of Through-Bond Stereoelectronic Effects in the Reactivity of 3-Azabicyclo[3.3.1]nonanes"
(333) Lee, J.; Kind, T.; Tantillo, D. J.; Wang, L.-P.; Fiehn, O. Metabolites 2022, 12, 698: "Evaluating the Accuracy of the QCEIMS Approach for Computational Prediction of Electron Ionization Mass Spectra of Purines and Pyrimidines," part of special issue on Advanced Strategies and Tools for Metabolomics Data Analysis, Metabolite Annotation and Identification
(332) Dishman, S. N.; Laconsay, C. J.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Chem. Sci. 2022, 13, 1030-1036: "Divergent Stereochemical Outcomes in the Insertion of Donor/Donor Carbenes into the C–H Bonds of Stereogenic Centers"
(331) Wang, S.; Kind, T.; Bremer, P.; Tantillo, D. J.; Fiehn, O. Anal. Chem. 2022, 994, 1559-1566: "Quantum Chemical Prediction of Electron Ionization Mass Spectra of Trimethylsilylated Metabolites"
(330) Soor, H. S.; Diaz, D. B.; Tsui, K. Y.; Calvopiña, K..; Bielinski, M.; Tantillo, D. J.; Schofield, C. J.; Yudin, A. K. J. Org. Chem. 2022, 87, 94-102: "Synthesis and Application of Constrained Amidoboronic Acids Using Amphoteric Boron-containing Building Blocks"
-2021-
(329) Laconsay, C. J.; Pla-Quintana, A.; Tantillo, D. J. Organometallics 2021, 40, 4120-4132: "Effects of Axial Solvent Coordination to Dirhodium Complexes on Reactivity and Selectivity in C–H Insertion Reactions: A Computational Study"
(328) Prasad, S.; Tantillo, D. J. ACS Omega 2021, 6, 29685-29691: "Substituent Effects on the Basicity of Patriscabrin A and Lettucenin A: Evolution Favors the Aromatic?"
(327) Mikhael, M.; Guo, W.; Tantillo, D. J.; Wengryniuk, S. E. Adv. Synth. Catal. 2021, 363, 4867-4875: "Umpolung Strategy for Arene C–H Etherification Leading to Functionalized Chromanes Enabled by I(III) N-Ligated Hypervalent Iodine Reagents"
(326) Tombari, R. J.; Tuck, J. R.; Yardeny, N.; Gingrich, P. W.; Tantillo, D. J.; Olson, D. E. Org. Biomol. Chem. 2021, 19, 7575-7580: "Calculated Oxidation Potentials Predict Reactivity in Baeyer-Mills Reactions"
(325) Xu, B.; Tantillo, D. J.; Rudolf, J. D. Angew. Chem. Int. Ed. 2021, 60, 23159-23163: "Mechanistic Insights into the Formation of the 6,10-Bicyclic Eunicellane Skeleton by the Bacterial Diterpene Synthase Bnd4"
(324) Tantillo, D. J. ACS Omega 2021, 6, 23008-23014: "Drawing Polycyclic Molecules," featured as an "ACS Editors' Choice" article.
(323) Tantillo, D. J. Am. Sci. 2021, 109, 274-277: "Tunnel Vision"
(322) Tantillo, D. J. Adv. Phys. Org. Chem. 2021, 55, 1-16: "Beyond Transition State Theory – Non-statistical Dynamic Effects for Organic Reactions," invited.
(321) Lu, Y.; Tantillo, D. J. J. Org. Chem. 2021, 86, 8652-865: "Comparison of (5+2) Cycloadditions Involving Oxidopyrylium and Oxidopyridium Ions – Relative Reactivities"
(320) Nair, V. N.; Kojasoy, V.; Laconsay, C. J.; Kong, W.; Tantillo, D. J.; Tambar, U. K. J. Am. Chem. Soc. 2021,143, 9016-9025: "Catalyst-Controlled Regiodivergence in Rearrangements of Indole-Based Onium Ylides"
(319) Laconsay, C. J.; Tantillo, D. J. Synthesis 2021, 53, 3639-3652: "Melding of Experiment and Theory Illuminates Mechanisms of Metal-Catalyzed Rearrangements: Computational Approaches and Caveats," invited.
(318) Rayo, D. F. L.; Hong, Y.J.; Campeau, D.; Tantillo, D. J.; Gagosz, F. Chem. Eur. J. 2021, 27, 10637-10648: "On the Mechanism of Au-catalyzed Enynamide-Yne Dehydro-Diels-Alder Reactions: An Experimental and Computational Study"
(317) Doherty, E. E.; Wilcox, X.; van Sint Fiet, L.; Kennel, C.; Turunen, J. J.; Klein, B.; Tantillo, D. J.; Fisher, A. J.; Beal, P. A. J. Am. Chem. Soc. 2021, 143, 6865-6876: "Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position"
(316) Balo, A. R; Carusio, A.; Tao, L.; Tantillo, D. J.; Seyedsayamdost, M. R.; Britt, R. D. Proc. Natl. Acad. Sci. USA, 2021, 118, e2101571118: "Trapping a Crosslinked Lysine-Tryptophan Radical in the Catalytic Cycle of the Radical SAM Enzyme SuiB"
(315) Borges, R. M.; Colby, S. M.; Das, S.; Edison, A. S.; Fiehn, O.; Kind, T.; Lee, J.; Merrill, A. T.; Merz, K. M.; Metz, T. O.; Nunez, J. R.; Tantillo, D. J.; Wang, L.-P.; Wang, S.; Renslow, R. S. Chem. Rev. 2021, 121, 5633-5670: "Quantum Chemistry Calculations for Metabolomics"
(314) Sun, Q.; Lu, X.; Tantillo, D. J. ChemPhysChem 2021, 22, 649-656: "Dynamic Effects in Intramolecular Schmidt Reactions – Entropy, Electrostatic Drag, and Selectivity Prediction"
(313) Tantillo, D. J. J. Phys. Org. Chem. 2021, 34, e4202: "Dynamic Effects on Organic Reactivity – Pathways to (and from) Discomfort," featured on the cover, a "top downloaded article".
(312) Tantillo, D. J.; Seeman, J. I. Chem. Eur. J. 2021, 27, 7000-7016: "On the Structural Assignments Underlying R. B. Woodward’s Most Personal Data That Led to the Woodward–Hoffmann Rules: Subramania Ranganathan’s Key Role and Related Research by E. J. Corey and A. G. Hortmann"
(311) Feng, Z.; Tantillo, D. J. J. Am. Chem. Soc. 2021, 143, 1088-1097: "Dynamic Effects on Migratory Aptitudes in Carbocation Reactions"
(310) Laconsay, C. J.; Tantillo, D. J. ACS Catal. 2021, 11, 829-839: "Metal-Bound or Free Ylides as Reaction Intermediates in Metal-Catalyzed [2,3]-Sigmatropic Rearrangements? It Depends"
(309) Cen-Pacheco, F.; Santiago-Benítez, A. J.; Tsui, K. Y.; Tantillo, D. J.; Fernández, J. J.; Hernandez Daranas, A. J. Org. Chem. 2021, 86, 2437-2446: "Structure and Computational Basis for Backbone Rearrangement in Marine Oxasqualenoids," featured on a supplementary cover.
(308) Son, J.-H.; Phuan, P.-W.; Zhu, J. S.; Lipman, E.; Cheung, A.; Tsui, K. Y.; Tantillo, D. J.; Verkman, A. S.; Haggie, P. M.; Kurth, M. J. Eur. J. Med. Chem. 2021, 209, 112888: "1-Benzylspiro[piperidine-4,1'-pyrido[3,4-b]indole] 'Co-potentiators' for Minimal Function CFTR Mutants," invited contribution to special issue on "Pharmacological Approaches to Cystic Fibrosis"
-2020-
(307) Wang, S.; Kind, T.; Tantillo, D. J.; Fiehn, O. J. Cheminform. 2020, 12, 63: "Predicting in silico Electron Ionization Mass Spectra using Quantum Chemistry"
(306) Mitsuhashi, T.; Barra, L.; Powers, Z.; Kojasoy, V.; Cheng, A.; Yang, F.; Taniguchi, Y.; Kikuchi, T.; Fujita, M.; Tantillo, D. J.; Porco, J. A., Jr.; Abe, I. Angew. Chem. Int. Ed. 2020, 59, 23772-23781: "Exploiting the Potential of Meroterpenoid Cyclases to Expand the Chemical Space of Fungal Meroterpenoids"
(305) Xing, Y.-Y.; Chen, S.-S.; Chen, D.-Z.; Tantillo, D. J. Phys. Chem. Chem. Phys. 2020, 22, 26955-26960: "Effects of Electrostatic Drag on the Velocity of Hydrogen Migration - Pre- and Post-Transition State Enthalpy/Entropy Compensation"
(304) Zhang, Y.; Prach, L. M.; O'Brien, T. E.; Dimaio, F.; Prigozhin, D. M.; Corn, J. E.; Alber, T.; Siegel, J. B.; Tantillo, D. J. Biochemistry 2020, 59, 4507-4515: "Crystal Structure and Mechanistic Molecular Modeling Studies of Rv3377c: the Mycobacterium tuberculosis Diterpene Cyclase"
(303) Chen, S.-S.; Tantillo, D. J. ACS Omega 2020, 5, 26134-26140: "The Potential for Ladderane (Bio)synthesis from Oligo-cyclopropane Precursors"
(302) Bai, M.; Feng, Z.; Li, J.; Tantillo, D. J. Chem. Sci. 2020, 11, 9937-9944: "Bouncing Off Walls - Widths of Exit Channels from Shallow Minima Can Dominate Selectivity Control"
(301) Chuang, H.-H.; Tantillo, D. J.; Hsu, C.-P. J. Chem. Theor. Comput. 2020, 16, 4050-4060: "The Construction of Two-Dimensional Potential Energy Surfaces of Reactions with Post-Transition State Bifurcations"
(300) Seeman, J. I.; Tantillo, D. J. Angew. Chem. Int. Ed. 2020, 59, 10702-10721: "From Decades to Minutes. Steps Toward the Structure of Strychnine 1910-1948 and the Application of Today’s Technology"
(299) Laconsay, C. J.; Wedler, H. B.; Tantillo, D. J. J. Sci. Educ. for Students with Disabilities 2020, 24, 1-21: "Visualization without Vision – How Blind and Visually Impaired Students and Researchers Engage with Molecular Structures"
(298) Wedler, H. B.; Wendelboe, P.; Tantillo, D. J.; Power, P. P. Dalton Trans. 2020, 49, 5175-5182: "Second Order Jahn-Teller Effects in Pyramidal and Multiple Bonded Main Group Molecules"
(297) McCulley, C. H.; Tantillo, D. J. J. Am. Chem. Soc. 2020, 142, 6060-6065: "Predicting Rearrangement-Competent Terpenoid Oxidation Levels"
(296) Barnych, B.; Singh, N.; Negrel, S.; Zhang, Y.; Magis, D.; Roux, C.; Hua, X.; Ding, Z.; Morisseau, C.; Tantillo, D. J.; Siegel, J. B.; Hammock, B. D. Eur. J. Med. Chem. 2020, 193, 112206: "Development of Potent Inhibitors of the Human Microsomal Epoxide Hydrolase"
(295) Campos, R. B.; Silva, V. B.; Menezes, L. R. A.; Fernandez, J. M.; Barison, A.; Oliveira, A. R. M.; Tantillo, D. J.; Orth, E. S. Chem. Eur. J. 2020, 26, 5017-5026: "Competitive Reactivity of Tautomers in the Degradation of Organophosphates by Imidazole Derivatives"
(294) Lodewyk, M. L.; Tantillo, D. J. Chirality 2020, 32, 484-488: "Nonclassical Ammonium Ions as Intermediates in Cinchona Alkaloid Rearrangements?," invited for special issue to honor Koji Nakanishi.
(293) Laconsay, C. J.; Tsui, K. Y.; Tantillo, D. J. Chem. Sci. 2020, 11, 2231-2242: "Tipping the Balance: Theoretical Interrogation of Divergent Extended Heterolytic Fragmentations"
(292) Merrill, A. T; Tantillo, D. J. Mag. Res. Chem. 2020, 58, 576-583: "Solvent Optimization and Conformational Flexibility Effects on 1H and 13C NMR Scaling Factors," invited.
(291) Nickerson, L. A.; Bergstrom, B. D.; Gao, M.; Shiue, Y.-S.; Laconsay, C. J.; Culberson, M. R.; Knauss, W. A.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Chem. Sci. 2020, 11, 494-498: "Enantioselective Synthesis of Isochromans and Tetrahydroisoquinolines by C–H Insertion of Donor/Donor Carbenes," featured in SYNFACTS.
(290) Tantillo, D. J. Am. Sci. 2020, 108, 22-25: "Hacking Hydrogen"
(289) Hancock, E. N.; Kuker, E. L.; Tantillo, D. J.; Brown, M. K. Angew. Chem. Int. Ed. 2020, 132, 444-449: "Lessons in Strain and Stability: An Enantioselective Synthesis of (+)-[5]-Ladderanoic Acid"
(288) Tantillo, D. J. WIREs Comp. Molec. Sci. 2020, 10, e1453: "Interrogating Chemical Mechanisms in Natural Products Biosynthesis Using Quantum Chemical Calculations," invited.
(287) Rodrigues, A. V.; Tantillo, D. J.; Mukhopadhyay, A.; Keasling, J. D.; Beller, H. R. ChemBioChem 2020, 21, 663-671: "Insights into the Mechanism of Phenylacetate Decarboxylase (PhdB), a Novel Glycyl Radical Enzyme"
(286) Tantillo, D. J. Comprehensive Natural Products III: Chemistry and Biology 2020, 1, 644-563: "Exploring Terpenoid Biosynthesis with Quantum Chemical Computations," invited.
-2019-
(285) Tsui, K. Y.; Tombari, R. J.; Olson, D. E.; Tantillo, D. J. J. Nat. Prod. 2019, 82, 3464-3468: "Reconsidering the Structure of Serlyticin-A"
(284) Zhu, J. S.; Larach, J. M.; Tombari, R. J.; Gingrich, P. W.; Bode, S. R.; Son, J.-H.; Duim, W. C.; Haddadin, M. J.; Tantillo, D. J.; Kurth, M. J.; Olson, D. E. Org. Lett. 2019, 21, 8765-8770: "Redox Isomerization Strategy for Accessing Modular Azobenzene Photoswitches with Near Quantitative Bidirectional Photoconversion"
(283) Saylor, R. I.; Stich, T. A.; Joshi, S.; Cooper, N. Shaw, J. T.; Begley, T. P.; Tantillo, D. J.; Britt, R. D. ACS Central Sci. 2019, 5, 1777-1785: "Trapping and EPR Characterization of the Elusive 5’dAdo Radical in a Radical SAM Enzyme Reaction with a Non-Native Substrate Analog," featured in a "First Reactions" article in ACS Central Science.
(282) Jia, M.; Zhang, Y.; Siegel, J. B.; Tantillo, D. J.; Peters, R. J. ACS Catal. 2019, 9, 8867-8871: "Switching on a Nontraditional Enzymatic Base - Deprotonation by Serine in the ent-Kaurene Synthase from Bradyrhizobium japonicum"
(281) Tombari, R. J.; Saunders, C. M.; Wu, C.-Y.; Dunlap, L. E.; Tantillo, D. J.; Olson, D. E. ACS Chem. Biol. 2019, 14, 1866-1873: "Ex Vivo Analysis of Tryptophan Metabolism Using 19F NMR"
(280) Dimirjian, C. A.; Castiñeira Reis. M.; Balmond, E. I.; Turman, N. C.; Rodriguez, E. P.; Di Mas, M. J.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Org. Lett. 2019, 21, 7209-7212: "Synthesis of Spirobicyclic Pyrazoles by Intramolecular Dipolar Cycloadditions/[1s, 5s] Sigmatropic Rearrangements"
(279) Kraemer, N.; Li, C. J.; Zhu, J. S.; Larach, J. M.; Tsui, K. Y.; Tantillo, D. J.; Haddadin, M. J.; Kurth, M. J. Org. Lett. 2019, 21, 6058-6062: "Davis–Beirut Reaction: A Photochemical Brønsted Acid Catalyzed Route to N-Aryl 2H-Indazoles"
(278) Domokos, A.; Aronow, S. D.; Tang, T.; Shevchenko, N. E.; Tantillo, D. J.; Dudnik, A. S. ACS Omega 2019, 4, 9427-9433: "Synthesis and Optoelectronic Properties of New Methoxy-Substituted Diketopyrrolopyrrole Polymers," featured as an Editorial Board Selection in special virtual Issue “Celebrating 5 Years of Open Access with ACS Omega"
(277) Tantillo, D. J.; Siegel, J. B.; Saunders, C. M.; Palazzo, T. A.; Painter, P. P.; O'Brien, T. E.; Nunez, N. N.; Nouri, D. H.; Lodewyk, M. W.; Hudson, B. M.; Hare, S. R.; Davis. R. L. J. Chem. Educ. 2019, 96, 920-925: "Computer-Aided Drug Design for Undergraduates"
(276) Zhu, J. S.; Li, C. J.; Tsui, K. Y.; Kraemer, N.; Son, J.-H.; Hadaddin, M. J.; Tantillo, D. J.; Kurth, M. J. J. Am. Chem. Soc. 2019, 141, 6247-6253: "Accessing Multiple Classes of 2H-Indazoles: Mechanistic Implications for the Cadogan and Davis–Beirut Reactions"
(275) Kaur, R.; Hudson, B. M.; Draper, J.; Tantillo, D. J.; Anastasio, C. Atmos. Chem. Phys. 2019, 19, 5021-5032: "Aqueous Reactions of Organic Triplet Excited States with Atmospheric Alkenes"
(274) Burlow, N. P.; Howard, S. Y.; Saunders, C. M.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Org. Lett. 2019, 21, 1046-1049: "Formal [4+2] Cycloadditions of Anhydrides and alpha,beta-Unsaturated N-Tosyl Ketimines"
(273) Pelot, K. A,; Hagelthorn, M.; Hong, Y. J.; Tantillo, D. J.; Zerbe, P. ChemBioChem 2019, 20, 111-117: "Diterpene Synthase-Catalyzed Biosynthesis of Distinct Clerodane Stereoisomers"
(272) Campos, R. B.; Tantillo, D. J. Chem 2019, 5, 227-236: "Designing Reactions with Post-Transition State Bifurcations: Asynchronous Nitrene Insertions into C–C sigma-Bonds"
(271) Castineira Reis, M; Silva Lopez, C.; Faza, O. N.; Tantillo, D. J. Chem. Sci. 2019, 10, 2159-2170: "Pushing the Limits of Concertedness. A Waltz of Wandering Carbocations"
(270) Tantillo, D. J. American Scientist 2019, 107, 22-23: "Wiggling and Jiggling" (see also a German translation via Spektrum magazine, 4/16/2019)
(269) Banert, K.; Tantillo, D. J. Nat. Prod. Res. 2019, 33, 3011-3015: "A Problem in Structure Assignment of Acremolin C, which is Most Probably Identical with Acremolin"
(268) McAlpine, J. B.; Chen, S.-N.; Kutateladze, A.; MacMillan, J. B.; Appendino, G.; Barison, A.; Beniddir, M.; Biavatti, M. W.; Bluml, S.; Boufridi, A.; Butler, M. S.; Capon, R. Choi, Y. H.; Coppage, D.; Crews, P.; Crimmins, M. T.; Csete, M.; Dewapriya, P.; Egan, J. M.; Garson, M. J.; Genta-Jouve, G.; Gerwick, W. H.; Gross, H.; Harper, M. K.; Hermanto, P.; Hook, J. M; Hunter, L.; Jeannerat, D.; Ji, N.-Y.; Johnson, T. A.; Kingston, D. G. I.; Koshino, H.; Lee, H.-W.; Lewin, G.; Linington, R. G.; Liu, M.; Ocampos, F. M. M.; McPhail, K. L.; Molinski, T. F.; Moore, B. S.; Nam, J.-W.; Neupane, R. P.; Niemitz, M.; Nuzillard, J.-M.; Oberlies, N. H.; Pan, G.; Quinn, R. J.; Reddy, S.; Renault, J.-H.; Rivera-Chavez, J.; Robien, W.; Saunders, C. M.; Schmidt, T. J.; Seger, C.; Shen, B.; Steinbeck, C.; Stuppner, H.; Sturm, S.; Taglialatela-Scafati, O.; Tantillo, D. J.; Verpoorte, R.; Wang, B.-G.; Williams, C. M.; Williams, P. G.; Wist, J.; Yue, J.-M.; Zhang, C.; Xu, Z.; Simmler, C.; Lankin, D. C.; Bisson, J.; Pauli, G. F. Nat. Prod. Rep. 2019, 36, 35-107: "The Value of Universally Available Raw NMR Data for Transparency, Reproducibility, and Integrity in Natural Product Research"
-2018-
(267) Tantillo, D. J. Reference Modules in Chemistry, Molecular Sciences and Chemical Engineering 2018: "Dynamic Effects on Organic Reactions," invited contribution.
(266) Hare, S. H.; Li, A.; Tantillo, D. J. Chem. Sci. 2018, 9, 8937-8945: "Post-Transition State Bifurcations Induce Dynamical Detours in Pummerer-Like Reactions"
(265) McCulley, C. H.; Tantillo, D. J. J. Phys. Chem. A 2018, 122, 8058-8061: "Secondary Carbocations in the Biosynthesis of Pupukeanane Sesquiterpenes," part of William Jackson Festschrift.
(264) Zhu, J. S.; Kraemer, N.; Shatskikh, M. E.; Li, C. J.; Son, J.-H.; Haddadin, M. J.; Tantillo, D. J.; Kurth, M. J. Org. Lett. 2018, 20, 4736-4739: "N-N Bond Formation between 1°-Amines and Nitrosos: Direct Synthesis of 2-Substitiuted Indazolones with Mechanistic Insights," highlighted in Synfacts.
(263) Kaufman, R. H.; Law, M. C.; Simanis, J. A.; Woodall, E. L.; Zwick, C. R., III; Wedler, H. B.; Wendelboe, P.; Hamaker, C. G.; Goodell, J. R.; Tantillo, D. J.; Mitchell, T. A. J. Org. Chem. 2018, 83, 9818-9838: "Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C3) Sequences: Scope, Limitation, and Computational Investigations"
(262) Blumel, M.; Nagasawa, S.; Blackford, K.; Hare, S. R.; Tantillo, D. J.; Sarpong, R. J. Am. Chem. Soc. 2018, 140, 9291-9298: "Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectvity," highlighted in Synfacts.
(261) Tantillo, D. J. Chem. Soc. Rev. 2018, 47, 7845-7850: "Questions in Natural Products Synthesis Research that Can (and Cannot) be Answered Using Computational Chemistry," invited Tutorial Review for special issue on "New Enabling Strategies for Natural Products Synthesis"
(260) Nguyen, Q. N. N.; Schwochert, J.; Tantillo, D. J.; Lokey, R. S. Phys. Chem. Chem. Phys. 2018, 20, 14003-14012: “Using 1H and 13C NMR Chemical Shifts to Determine Cyclic Peptide Conformations: A Combined Molecular Dynamics and Quantum Mechanics Approach”
(259) Cool, L. G.; Vermillion, K. E.; Takeoka, G. R.; Wang, S. C.; Tantillo, D. J. J. Org. Chem. 2018, 83, 5724-5730: "Biosynthesis and Conformational Properties of the Irregular Sesquiterpenoids Isothapsadiene and beta-Isothapsenol"
(258) O'Brien, T. E.; Bertolani, S. J.; Zhang, Y.; Siegel, J. B.; Tantillo, D. J. ACS Catal. 2018, 8, 3322-3330: "Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases - Bornyl Diphosphate Synthase as a Representative Case"
(257) Jia, M.; O'Brien, T. E.; Zhang, Y.; Siegel, J. B.; Tantillo, D. J.; Peters, R. J. ACS Catal. 2018, 8, 3133-3137: "Changing Face: A Key Residue for the Addition of Water by Sclareol Synthase"
(256) Hong, Y. J.; Tantillo, D. J. J. Org. Chem. 2018, 83, 3780-3793: "A Maze of Dyotropic Rearrangements and Triple Shifts: Carbocation Rearrangements Connecting Stemarene, Stemodene, Betaerdene, Aphidicolene and Scopadulanol"
(255) Saunders, C. M.; Khaled, M. B.; Weaver, J. D., III; Tantillo, D. J. J. Org. Chem. 2018, 83, 3220-3225: "Prediction of 19F NMR Chemical Shifts for Fluorinated Aromatic Compounds"
(254) Xu, M.; Jia, M.; Hong, Y. J.; Yin, X.; Tantillo, D. J.; Proteau, P. J.; Peters, R. J. Org. Lett. 2018, 20, 1200-1202: "Premutilin Synthase: Ring Rearrangement by a Class II Diterpene Cyclase"
(253) Campos, R. B.; Tantillo, D. J. J. Org. Chem. 2018, 83, 1073-1076: "Coupled Electrocyclization/Prototropic Shift in the Biosynthesis of Crotinsulidane Diterpenoids"
(252) Schmiedel, V. M.; Hong, Y. J.; Lentz, D.; Tantillo, D. J.; Christmann, M. Angew. Chem. Int. Ed. 2018, 57, 2419-2422: "Synthesis and Structure Revision of Dichrocephones A and B"
(251) Phung, C.; Tantillo, D. J.; Hein, J.; Pinhas, A. R. J. Phys. Org. Chem. 2018, 31, e3735: "The Mechanism of the Reaction between an Aziridine and Carbon Dioxide with No Added Catalyst"
(250) Hare, S. R.; Hudson, B. M.; Tantillo, D. J.: "Modeling Organic Reactions – General Approaches, Caveats and Concerns," Chapter 1 in Applied Theoretical Organic Chemistry, World Scientific, 2018 (Tantillo, D. J., Ed.).
(249) Huang, A. C.; Hong, Y. J.; Bond, A. D.; Tantillo, D. J.; Osbourn, A. Angew. Chem. Int. Ed. 2018, 57, 1291-1295: "Diverged Plant Terpene Synthases Reroute the Carbocation Cyclization Path towards the Formation of Unprecedented 6/11/5 and 6/6/7/5 Sesterterpene Scaffolds"
-2017-
(248) Lim, N.-K.; Weiss, P.; Li, B. X.; McCulley, C. H.; Hare, S. R.; Bensema, B. L.; Palazzo, T. A.; Tantillo, D. J.; Zhang, H.; Gosselin, F. Org. Lett. 2017, 19, 6212-6215: "Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a syn-Elimination Approach"
(247) Bartels, F.; Hong, Y. J.; Ueda, D.; Weber, M.; Sato, T.; Tantillo, D. J.; Christmann, M. Chem. Sci. 2017, 8, 8285-8290: "Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids"
(246) Zhu, J. S.; Son, J.-H.; Teuthorn, A. P.; Haddadin, M. J.; Kurth, M. J.; Tantillo, D. J. J. Org. Chem. 2017, 82, 10875-10882: "Diverting Reactive Intermediates Toward Unusual Chemistry - Unexpected Anthranil Products from Davis–Beirut Reaction" (correction to SI: DOI:10.1021/acs.joc.7b02695)
(245) Freund, G.; O'Brien, T.; Vinson, L.; Carlin, A.; Yao, A.; Mak, W. S.; Tagkopoulos, I.; Facciotti, M. T.; Tantillo, D. J.; Siegel, J. B. ACS Chem. Biol. 2017, 12, 2465-2473: "Elucidating Substrate Promiscuity within the FabI Enzyme Family"
(244) Xu, G.; Elkin, M.; Tantillo, D. J.; Newhouse, T. R.; Maimone, T. J. Angew. Chem. Int. Ed. 2017, 56, 12498-12502: "Traversing Biosynthetic Carbocation Landscapes in the Total Synthesis of Andrastin and Terretonin Meroterpenes"
(243) Mendoza-Sanchez, R.; Corless, V. B.; Nguyen, Q. N.; Bergeron-Brlek, M.; Frost, J.; Adachi, S.; Tantillo, D. J.; Yudin, A. K. Chem. Eur. J. 2017, 23, 13319-13322: "Cyclols Revisited: Facile Synthesis of Medium-Sized Cyclic Peptides"
(242) McCulley, C.; Geier, M. J.; Hudson, B. M.; Gagne, M. R.; Tantillo, D. J. J. Am. Chem. Soc. 2017, 139, 11158-11164: "Biomimetic Platinum-Promoted Polyene Polycyclizations - Influence of Alkene Substitution and Pre-Cyclization Conformations"
(241) Wilkerson-Hill, S. M.; Fisher, E. L.; Yu, D.; Painter, P. P.; Tantillo, D. J.; Sarpong, R.; Hein, J. E. J. Am. Chem. Soc. 2017, 139, 10569-10577: "On the Mechanism of No-metal-added Heterocycloisomerization of Alkynylcyclopropylhydrazones: A Synthesis of Cycloheptane-fused Aminopyrroles Facilitated by Copper salts at Trace Loadings"
(240) Xu, Y.; Hong, Y. J.; Tantillo, D. J.; Brown, M. K. Org. Lett. 2017, 19, 3703-3706: "Intramolecular Chirality Transfer [2+2] Cycloadditions of Allenoates and Alkenes"
(239) Saunders, C. M.; Tantillo, D. J. Marine Drugs 2017, 15, 171: "Application of Computational Chemical Shift Prediction Techniques to the Cereoanhydride Structure Problem - Carboxylate Complications," invited as part of a special issue on "Structural Techniques in Natural Products Drug Discovery."
(238) Huang, A. C.; Kautsar, S. A.; Hong, Y. J.; Medema, M. H.; Bond, A. D.; Tantillo, D. J.; Osbourn, A. E. Proc. Natl. Acad. Sci. USA 2017, 114, E6005-E6014: "Unearthing a Sesterterpene Biosynthetic Repertoire in the Brassicaceae through Genome Mining Reveals Convergent Evolution"
(237) Desjardins, M.; Mak, W. S.; O'Brien, T. Carlin, D. A.; Tantillo, D. J.; Siegel, J. B. ACS Omega 2017, 2, 3308-3314: "Systematic Functional Analysis of Active Site Residues in L-Threonine Dehydrogenase from Thermoplasma Volcanium"
(236) Hare, S. R.; Pemberton, R. P.; Tantillo, D. J. J. Am. Chem. Soc. 2017, 139, 7485-7493: "Navigating Past a Fork in the Road—Carbocation–π Interactions Can Manipulate Dynamic Behavior of Reactions Facing Post-Transition State Bifurcations"
(235) Lamb, K. N.; Squitieri, R. A.; Chintala, S. R.; Kwong, A. J.; Balmond, E. I.; Soldi, C.; Dmitrenko, O.; Castineira Reis, M.; Chung, R.; Addison, J. B.; Fettinger, J. C.; Hein, J. E.; Tantillo, D. J.; Fox, J. M.; Shaw, J. T. Chem. Eur. J. 2017, 23, 11843-11855: "Synthesis of Benzodihydrofurans by Asymmetric C–H Insertion Reactions of Donor/Donor Carbenoids"
(234) Hare, S. R.; Tantillo, D. J. J. Chem. Educ. 2017, 94, 988-993: "Pericyclic or Pseudopericyclic? The Case of an Allylic Transposition in the Synthesis of a Saccharin Derivative" (a "reply": DOI: 10.1021/acs.jchemed.7b00373; correction: DOI: 10.1021/acs.jchemed.7b00609)
(233) Laws, S.; Moore, L.; Di Maso, M.; Nguyen, Q. N. N.; Tantillo, D. J.; Shaw, J. T. Org. Lett. 2017, 19, 2466-2469: "Diastereoselective Base-Catalyzed Formal [4+2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides"
(232) Hare, S. R.; Tantillo, D. J. Pure Appl. Chem. 2017, 89, 679-698: "Post-Transition State Bifurcations Gain Momentum – Current State of the Field," invited as part of a special issue associated with the ICPOC23 meeting (correction).
(231) Tantillo, D. J. Angew. Chem. Int. Ed. 2017, 56, 10040-10045: "Importance of Inherent Substrate Reactivity in Enzyme Promoted Carbocation Cyclization/Rearrangements," part of a special issue honoring Roald Hoffmann on his 80th birthday.
(230) Abbasov, M. E.; Hudson, B. M.; Kong, W.; Tantillo, D. J.; Romo, D. Org. Biomol. Chem. 2017, 15, 3179-3183: "Enantioselective Diels-Alder-Lactamization Organocascades Employing a Furan-Based Diene," invited contribution to themed issue on "Polycylizations in Synthesis and Biosynthesis."
(229) Hong, Y. J.; Tantillo, D. J. J. Org. Chem. 2017, 82, 3957-3959: "Is a 1,4-Alkyl Shift Involved in the Biosynthesis of Ledol and Viridiflorol?"
(228) Mafu, S.; Karunanithi, P. S.; Palazzo, T. A.; Harrod, B. L.; Rodriguez, S. M.; Mollhoff, I. N.; O'Brien, T. E.; Tong, S.; Fiehn, O.; Tantillo, D. J.; Bohlmann, J.; Zerbe, P. Proc. Natl. Acad. Sci. USA 2017, 114, 974-979: "Biosynthesis of the Microtubule-Destabilizing Diterpene Pseudolaric Acid B from Golden Larch Involves an Unusual Diterpene Synthase"
(227) Tantillo, D. J. "Pericyclic Reactions" in Encyclopedia of Physical Organic Chemistry, Wiley, 2017, pp. 817-848.
(226) Wang, S. C.; Tantillo, D. J. Org. Biomol. Chem. 2017, 15, 1976-1979: "Viability of Dodecahedrane-Forming Radical Polycyclizations," invitec contribution to themed issue on "Polycylizations in Synthesis and Biosynthesis," featured on the outside front cover.
(225) Hare, S. R.; Farnham, J. M.; Tantillo, D. J. Tetrahedron 2017, 73, 4227-4232: "Putative Biosynthetic Cycloadditions en route to the Diterpenoid (+)-Chatancin," invited contribution to a Symposium-in-Print on "New Advances in Pericyclic Reactions."
(224) Abbasov, M. E.; Hudson, B. M.; Tantillo, D. J.; Romo, D. Chem. Sci. 2017, 8, 1511-1524: "Stereodivergent, Diels-Alder-Initiated Organocascades Employing α,β-Unsaturated Acylammonium Salts: Scope, Mechanism, and Application," highlighted in SYNFACTS.
(223) Hong, Y. J.; Tantillo, D. J. Aust. J. Chem. 2017, 70, 362-366: "The Variediene-Forming Carbocation Cyclization/Rearrangement Cascade," invited contribution to a special issue associated with the 7th Heron Island Conference.
(222) Hare, S. R.; Tantillo, D. J. Chem. Sci. 2017, 8, 1442-1449: "Cryptic Post-Transition State Bifurcations Reduce the Efficiency of Lactone-Forming Rh-Carbenoid C-H Insertions"
-2016-
(221) Bianco, C. L.; Chavez, T. A.; Sosa, V.; Saund, S. S.; Nguyen,Q. N.N.; Tantillo, D. J.; Ichimura, A. S.; Toscano, J. P.; Fukuto, J. M. Free Radical Biol. Med. 2016, 101, 20-31: "The Chemical Biology of the Persulfide (RSSH)/Perthiyl (RSS•) Redox Couple and Possible Role in Biological Redox Signaling"
(220) Wedler, H. B.; Newman, T.; Tantillo, D. J. J. Nat. Prod. 2016, 79, 2744-2748: "Decarboxylation Facilitated by Carbocation Formation and Rearrangement During Steam Distillation of Vetiver Oil"
(219) Tantillo, D. J. Org. Lett. 2016, 18, 4482-4484: "Does Nature Know Best? Pericyclic Reactions in the Daphniphyllum Alkaloid-Forming Cation Cascade"
(218) Campos, R. B.; Menezes, L. R. A.; Barison, A.; Tantillo, D. J.; Orth, E. S. Chem. Eur. J. 2016, 22, 15521-15528: "The Importance of Methyl Positioning and Tautomeric Equilibria for Imidazole Nucleophilicity"
(217) Nguyen, Q. N. N.; Tantillo, D. J. J. Org. Chem. 2016, 81, 5295-5302: "When to Let Go - Diradical Intermediates from Zwitterionic Transition State Structures?"
(216) Nguyen, Q. N. N.; Tantillo, D. J. J. Antibiot. 2016, 69, 534-540: "Using Quantum Chemical Computations of NMR Chemical Shifts to Assign Relative Configurations of Terpenes from an Engineered Streptomyces Host," invited contribution to special issue in honor of David Cane.
(215) Hudson, B. M.; Nguyen, E.; Tantillo, D. J. Org. Biomol. Chem. 2016, 14, 3975-3980: "The Influence of Intramolecular Sulfur–Lone Pair Interactions on Small-Molecule Drug Design and Receptor Binding"
(214) Tantillo, D. J., Acc. Chem. Res. 2016, 49, 741-749: "Speeding Up Sigmatropic Shifts - To Halve or to Hold," invited account for special issue on "Computational Catalysis for Organic Synthesis."
(213) O'Brien, T. E.; Bertolani, S. J.; Tantillo, D. J.; Siegel, J. B. Chem. Sci. 2016, 7, 4009-4015: "Mechanistically Informed Predictions of Binding Modes for Carbocation Intermediates of a Sesquiterpene Synthase Reaction"
(212) Hare, S. R.; Tantillo, D. J. Beilstein J. Org. Chem. 2016, 12, 377-390: "Dynamic Behavior of Rearranging Carbocations – Implications for Terpene Biosynthesis," invited review for thematic series on "Natural Products in Synthesis and Biosynthesis I" (correction: Beilstein J. Org. Chem. 2017, 13, 1669-1669)
(211) Potter, K. C.; Jia, M.; Hong, Y. J.; Tantillo, D. J.; Peters, R. J. Org. Lett. 2016, 18, 1060-1063: "Product Rearrangement from Altering a Single Residue in the Rice syn-Copalyl Diphosphate Synthase"
(210) Pauli, G. F.; Niemitz, M.; Bisson, J.; Lodewyk, M. W.; Soldi, C.; Shaw, J. T.; Tantillo, D. J.; Saya, J. M.; Vos, K.; Kleinnijenhuis, R. A.; Hiemstra, H.; Chen, S.-N.; McAlpine, J. B.; Lankin, D. C.; Friesen, J. B. J. Org. Chem. 2016, 81, 878-889: "Towards Structural Correctness: Aquatolide and the Importance of 1D Proton NMR FID Archiving"
(209) Harrison, J. G.; Gutierrez, O.; Jana, N.; Driver, T. G.; Tantillo, D. J. J. Am. Chem. Soc. 2016, 138, 487-490: "Mechanism of Rh2(II)-Catalyzed Indole Formation: The Catalyst Does Not Control Product Selectivity"
(208) Williams, D. R.; Klein, J. C.; Kopel, L. C.; Tantillo, D. J.; Nguyen, Q. N. Org. Lett. 2016, 18, 424-427: "Studies Toward Australifungin. A Synthesis Dilemma of Regioselective Keto-Enol Tautomerization"
(207) Panda, S.; Coffin, A.; Nguyen, Q. N.; Tantillo, D. J.; Ready, J. M. Angew. Chem. Int. Ed. 2016, 55, 2205-2209: "Synthesis and Utility of Dihydropyridine Boronic Esters"
(206) Ortega, D. E.; Nguyen, Q. N. N.; Tantillo, D. J.; Toro-Labbe, A. J. Comput. Chem. 2016, 37, 1068-1081: "The Catalytic Effect of the NH3 Base on the Chemical Events in the Caryolene-forming Carbocation Cascade"
(205) Nepomuceno, G. M.; Dekker, D. M.; Shaw, J. D.; Boyes, L.; Tantillo, D. J.; Wedler, H. B. J. Chem. Health Safety 2016, 23, 5-11: "The Value of Safety and Practicality: Recommendations for Training Disabled Students in the Sciences with a Focus on Blind and Visually Impaired Students in Chemistry Laboratories"
(204) Potter, K. C.; Zi, J.; Hong, Y. J.; Malchow, B. K.; Tantillo, D. J.; Peters, R. J. Angew. Chem. Int. Ed. 2016, 55, 634-638: "Blocking Deprotonation with Retention of Aromaticity in a Plant ent-Copalyl Diphosphate Synthase Leads to Product Rearrangement"
-2015-
(203) Palazzo, T. A.; Patra, D.; Yang, J. S.; El Khoury, E.; Appleton, M. G.; Haddadin, M. J.; Tantillo, D. J.; Kurth, M. J. Org. Lett. 2015, 17, 5732-5735: "Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies"
(202) Saund, S. S.; Sosa, V.; Henriquez, S.; Nguyen, Q. N. N.; Soeda, S.; Bianco, C. L.; Millikin, R.; White, C.; Le, H.; Ono, K.; Tantillo, D. J.; Kumagai, Y.; Akaike, T.; Lin, J.; Fukuto, J. M. Arch. Biochem. Biophys. 2015, 588, 15-24: "The Chemical Biology of Hydropersulfides (RSSH): Chemical Stability, Reactivity and Redox Roles"
(201) Hong, Y. J.; Tantillo, D. J. Org. Lett. 2015, 17, 5388-5391: "Tension between Internal and External Modes of Stabilization in Carbocations Relevant to Terpene Biosynthesis - Modulating Minima Depth via C–H---π Interactions"
(200) Larson, R. T.; Pemberton, R. P.; Franke, J. M.; Tantillo, D. J.; Thomson, R. J. J. Am. Chem. Soc. 2015, 137, 11197-11204: "Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 using Biomimetic Diels–Alder Reactions of Double Diene Precursors"
(199) Sharma, K.; Wolstenhulme, J. R.; Painter, P. P.; Yeo, D. Carmona, F. G.; Johnston, C. P.; Tantillo, D. J.; Smith, M. D. J. Am. Chem. Soc. 2015, 137, 13414-13424: "Cation-Controlled Enantio- and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process"
(198) Hong, Y. J.; Tantillo, D. J. Org. Biomol. Chem. 2015, 13, 10273-10278: "The Energetic Viability of an Unexpected Skeletal Rearrangement in Cyclooctatin Biosynthesis," featured on the cover, one of the 2015 Hot Articles in Organic and Biomolecular Chemistry.
(197) Wedler, H. B.; Palazzo, T. A.; Pemberton, R. P.; Hamann, C. S.; Kurth, M. J.; Tantillo, D. J. Bioorg. Med. Chem. Lett., 2015, 25, 4153-4157: "Predicting Hydration Propensities of Biologically Relevant alpha-Ketoamides"
(196) Painter, P. P.; Siebert, M. R.; Tantillo, D. J. J. Org. Chem. 2015, 80, 11699-11705: "Conjugate Addition/[3,3] Sigmatropic Shift Processes for Formation of Medium Ring Cyclic Amines - Do They Circumvent the Woodward-Hoffmann Rules?," part of special issue: "50 Years and Counting: The Woodward-Hoffmann Rules in the 21st Century"
(195) Wedler, H. B.; Pemberton, R. P.; Tantillo, D. J. Molecules 2015, 20, 10781-10792 : "Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes," invited contribution to special issue on wine chemistry.
(194) Mizrahi, R. A..; Shin, D.; Sinkedam, R. W.; Phelps, K. J.; Tantillo, D. J.; Tor, Y.; Beal, P. A. Angew. Chem. Int. Ed. 2015, 54, 8713-8716: "A Fluorescent Adenosine Analogue as a Substrate for an A-to-I RNA Editing Enzyme"
(193) Hare, S.; Orman, M.; Dewan, F.; Dalchand, E.; Buzard, C.; Ahmed, S.; Tolentino, J. C.; Sethi, U.; Terlizzi, K.; Houferak, C.; Stein, A. M.; Stedronsky, A.; Thamattoor, D. M.; Tantillo, D. J.; Merrer, D. C. J. Org. Chem. 2015,80, 5049-5065: "Experimental and Computational Mechanistic Investigation of Chlorocarbene Additions to Bridgehead Carbene-anti-Bredt Systems: Noradamantylcarbene-Adamantene and Adamantylcarbene-Homoadamantene"
(192) Slauson, S. R.; Pemberton, R. P.; Ghosh, P.; Tantillo, D. J.; Aube, J. J. Org. Chem. 2015, 80, 260-5271: "Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids Under Low-Solvent Conditions"
(191) Van Hoveln, R.; Hudson, B. M.; Wedler, H. B.; Bates, D. M.; Le Gros, G.; Tantillo, D. J.; Schomaker, J. M. J. Am. Chem. Soc. 2015, 137, 5346-5354: "Mechanistic Studies of Copper(I)-Catalyzed 1,3-Halogen Migration"
(190) Hamlin, T. A.; Hamann, C. S.; Tantillo, D. J. J. Org. Chem. 2015, 80, 4046-4053: "Delocalization of Charge and Electron Density in the Humulyl Cation - Implications for Terpene Biosynthesis"
(189) Hong, Y. J.; Tantillo, D. J. J. Am. Chem. Soc. 2015, 137, 4134-4140: "Feasibility of Intramolecular Proton Transfers in Terpene Biosynthesis - Guiding Principles"
(188) Wedler, H. B.; Pemberton, R. P.; Lounnas, V.; Vriend, G.; Tantillo, D. J.; Wang, S. C. J. Molec. Model. 2015, 21, 111: "Quantum Chemical Study of the Isomerization of 24-Methylenecycloartanol, A Potential Marker of Olive Oil Refining"
(187) Ortega, D. E.; Tantillo, D. J.; Toro-Labbe, A. Phys. Chem. Chem. Phys. 2015, 17, 9771-9779: "Detailed Analysis of the Mechanism of a Carbocationic Triple Shift Rearrangement"
(186) Kocsis, L. S.; Kagalwala, H. N.; Mutto, S.; Godugu, B.; Bernhard, S.; Tantillo, D. J.; Brummond, K. M. J. Org. Chem. 2015, 80, 11686-11698: "Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-ynes," part of special issue: "50 Years and Counting: The Woodward-Hoffmann Rules in the 21st Century"
(185) Pemberton, R. P.; Ho, K. C.; Tantillo, D. J. Chem. Sci. 2015, 6, 2347-2353: "Modulation of Inherent Dynamical Tendencies of the Bisabolyl Cation via Preorganization in epi-Isozizaene Synthase"
(184) Nguyen, Q. N. N.; Lodewyk, M. W.; Bezer, S.; Gagne, M. R.; Waters, M. L.; Tantillo, D. J. ACS Catal. 2015, 5, 1617-1622: "Effects of Helix Macrodipole and Local Interactions on Catalysis of Acyl Transfer by alpha-Helical Peptides"
(183) Hong, Y. J.; Giner, J. L.; Tantillo, D. J. J. Am. Chem. Soc. 2015, 137, 2085-2088: "Bicyclobutonium Ions in Biosynthesis - Interconversion of Cyclopropyl-Containing Sterols from Orchids"
(182) Strych, S.; Journot, G.; Pemberton, R. P.; Wang, S. C.; Tantillo, D. J.; Trauner, D. Angew. Chem. Int. Ed. 2015, 54, 5079-5083: "Biomimetic Total Synthesis of Santalin Y," featured on the cover, chosen as a Very Important Paper (VIP), highlighted in SYNFACTS.
(181) Palazzo, T. A.; Truong, T. T.; Wong, S. M. T.; Mack, E. T.; Lodewyk, M. W.; Harrison, J. G.; Kurth, M. J.; Tantillo, D. J. J. Chem. Educ. 2015, 92, 561-566: "Reassigning the Structures of Natural Products Using NMR Chemical Shifts Computed with Quantum Mechanics - A Laboratory Exercise"
-2014-
(180) Zi, J.; Matsuba, Y.; Hong, Y. J.; Jackson, A. J.; Tantillo, D. J.; Pichersky, E.; Peters, R. J. J. Am. Chem. Soc. 2014, 136, 16951-16953: "Biosynthesis of Lycosantalonol, a cis-Prenyl Derived Diterpenoid"
(179) Ono, K.; Akaike, T.; Sawa, T.; Kumagai, Y.; Wink, D. A.; Tantillo, D. J.; Hobbs, A. J.; Nagy, P.; Xian, M.; Lin, J.; Fukuto, J. M. Free Radical Biol. Med. 2014, 77, 82-94: "The Redox Chemistry and Chemical Biology of H2S, Hydropersulfides and Derived Species: Implications to Their Possible Biological Activity and Utility"
(178) Roth, A.; Ott, S.; Farber, K. M.; Palazzo, T. A.; Conrad, W. E.; Haddadin, M. J.; Tantillo, D. J.; Cross, C. E.; Eiserich, J. P.; Kurth, M. J. Bioorg. Med. Chem. 2014, 22, 6422-6429: "Inhibition of Myeloperoxidase: Evaluation of 2H-Indazoles and 1H-Indazolones"
(177) Rasik, C. M.; Hong, Y. J.; Tantillo, D. J.; Brown, M. K. Org. Lett. 2014, 16, 5168-5171: "Origins of Diastereoselectivity in Lewis Acid-Promoted Ketene-Alkene [2+2] Cycloadditions"
(176) Ye, L.; Hu, B.; El-Badri, F.; Hudson, B.M.; Phuan, P.-W.; Verkman, A. S.; Tantillo, D. J.; Kurth, M. J. Bioorg. Med. Chem. Lett. 2014, 24, 5840-5844: "(delta)F508-CFTR Correctors: Synthesis and Evaluation of Thiazole-Tethered Oxazoles, Oxadiazoles, and Thiadiazoles"
(175) Painter, P. P.; Wong, B. M.; Tantillo, D. J. Org. Lett. 2014, 16, 4818-4821: "Facilitating the Cope Rearrangement by Partial Protonation - Implications for Synthesis and Biosynthesis"
(174) Zaretsky, S.; Hickey, J. L.; St. Denis, M. A.; Scully, C. C. G.; Roughton, A. L.; Tantillo, D. J.; Lodewyk, M. W.; Yudin, A. K. Tetrahedron, 2014, 70, 7655-7663: "Predicting Cyclic Peptide Chemical Shifts Using Quantum Mechanical Calculations," part of a special issue on peptide macrocycles.
(173) Coffman, K. C.; Nguyen, H. H.; Phuan, P.-W.; Hudson, B.M.; Yu, G. J.; Bagdazarian, A. L.; Montgomery, D.; Lodewyk, M. W.; Yang, B.; Yoo, C. L.; Verkman, A. S.; Tantillo, D. J.; Kurth, M. J. J. Med. Chem. 2014, 57, 6729-6738: "Constrained Bithiazoles: Small Molecule Correctors of Defective (delta)F508-CFTR Protein Trafficking"
(172) Nguyen, Q. N. N.; Yang, J.; Tantillo, D. J. J. Org. Chem. 2014, 79, 7162-7168: "Factors Controlling the Facility of Transannular Diels-Alder Reactions of Macrocyclic Bis-enones"
(171) Trivella, D. B. B.; Pereira, A. R.; Stein, M.; Byrum, T.; Kasai, Y.; Byrum, T.; Valeriote, F. A.; Tantillo, D. J.; Groll, M.; Gerwick, W. H.; Moore, B. S. Chem. Biol. 2014, 21, 782-791: "Enzyme Inhibition by Hydroamination: Design and Mechanism of a Hybrid Carmaphycin-Syringolin Enone Proteasome Inhibitor"
(170) Lounnas, V.; Wedler, H. B.; Newman, T.; Schaftenaar, G.; Nepomuceno, G.; Pemberton, R. P.; Vriend, G.; Tantillo, D. J. J. Comp.-Aided Molec. Design 2014, 28, 1057-1067: "Visually Impaired Researchers Get their Hands on Quantum Chemistry; Application to a Computational Study on the Isomerization of a Sterol"
(169) Pemberton, R. P.; Tantillo, D. J. Chem. Sci. 2014, 5, 3301-3308: "Lifetimes of Carbocations Encountered along Reaction Coordinates for Terpene Formation"
(168) Patra, D.; Palazzo, T. A.; Malaeb, N. N..; Haddadin, M. J.; Tantillo, D. J.; Kurth, M. J. J. Fluorescence 2014, 24, 1285-1296: "Cyclic Azacyanines: Experimental and Computational Studies on Spectroscopic Properties and Unique Reactivity"
(167) Hong, Y. J.; Tantillo, D. J. Helv. Chim. Acta 2014, 97, 1475-1480: "Viability of Nonclassical Carbocations Proposed as Intermediates in the Biosynthesis of Atiserene, Beyerene, Kaurene and Trachylobane Diterpenes"
(166) Hong, Y. J.; Tantillo, D. J. Chem. Soc. Rev. 2014, 43, 5042-5050: "How Cyclobutanes are Assembled in Nature – Insights from Quantum Chemistry," invited review.
(165) Mercado-Marin, E. V.; Garcia-Reynaga, P.; Romminger, S.; Pimenta, E. F.; Romney, D. K.; Lodewyk, M. W.; Williams, D. E.; Andersen, R. J.; Miller, S. J.; Tantillo, D. J.; Berlinck, R. G. S.; Sarpong, R. Nature, 2014, 509, 318-324: "Total Synthesis and Isolation of Citrinalin and Cyclopiamine Congeners," highlighted in a News & Views article (Wood, J. L. Nature 2014, 509, 293-294) and in C&EN.
(164) Abbasov, M. E.; Hudson, B. M.; Tantillo, D. J.; Romo, D. J. Am. Chem. Soc. 2014, 136, 4492-4495: "Acylammonium Salts as Dienophiles in Diels-Alder/Lactonization Organocascades," highlighted in SYNFACTS.
(163) Isegawa, M.; Maeda, S.; Tantillo, D. J.; Morokuma, K. Chem. Sci. 2014, 5, 1555-1560: "Predicting Pathways for Terpene Formation from First Principles - Routes to Known and New Sesquiterpenes"
(162) Bezer, S.; Matsumoto, M.; Lodewyk, M. W.; Lee, S. J.; Tantillo, D. J.; Gagne, M. R.; Waters, M. L. Org. Biomol. Chem. 2014, 12, 1488-1494: "Identification and Optimization of Short Helical Peptides with Novel Reactive Functionality as Catalysts for Acyl Transfer by Reactive Tagging"
(161) Hong, Y. J.; Tantillo, D. J. J. Am. Chem. Soc. 2014, 136, 2450-2463: "Branching Out from the Bisabolyl Cation. Unifying Mechanistic Pathways to Barbatene, Bazzanene, Chamigrene, Chamipinene, Cumacrene, Cuprenene, Dunniene, Isobazzanene, Iso-γ-bisabolene, Isochamigrene, Laurene, Microbiotene, Sesquithujene, Sesquisabinene, Thujopsene, Trichodiene and Widdradiene Sesquiterpenes"
(160) Williams, D. T.; Atwater, B. A.; Bawel, S. A.; Ke, P.; Gutierrez, O.; Tantillo, D. J. Org. Lett. 2014, 16, 468-471: "Stereocontrol in Asymmetric SE' Reactions of gamma-Substituted-alpha,beta-Unsaturated Aldehydes"
(159) Hong, Y. J.; Tantillo, D. J. Nature Chem. 2014, 6, 104-111: "Biosynthetic Consequences of Multiple Sequential Post-Transition State Bifurcations," highlighted in a News & Views article (Hornsby, C. E.; Paton, R. S. Nature Chem. 2014, 6, 88-89).
(158) Lodewyk, M. W.; Willenbring, D.; Tantillo, D. J. Org. Biomol. Chem. 2014, 12, 887-894: "Pentalenene Formation Mechanisms Redux," featured on the inside cover.
(157) Painter, P. P.; Pemberton, R. P; Wong, B. M.; Ho, K. C; Tantillo, D. J. J. Org. Chem. 2014, 79, 432-435: "The Viability of Nitrone-Alkene (3+2) Cycloadditions in Alkaloid Biosynthesis"
(156) Nguyen, Q. N. N.; Tantillo, D. J. Chem. Asian J. 2014, 9, 674-680: "The Many Roles of Quantum Chemical Predictions in Synthetic Organic Chemistry," invited Focus Review, highlighted as a Featured Article.
(155) Yoneda, H.; Tantillo, D. J.; Atsumi, S. ChemSusChem 2014, 7, 92-95: "Biological Production of 2-Butanone in Escherichia coli"
(154) Wedler, H. B.; Boyes, L.; Davis, R. L.; Flynn, D.; Franz, A. K.; Hamann, C. S.; Harrison, J. G.; Lodewyk, M. W.; Milinkevich, K. A.; Shaw, J. T.; Tantillo, D. J.; Wang, S. C. J. Chem. Educ. 2014, 91, 188-194: "Nobody Can See Atoms: Science Camps Highlighting Approaches for Making Chemistry Accessible to Blind and Visually-Impaired Students"
-2013-
(153) Chooi, Y.-H.; Hong, Y. J.; Cacho, R. A.; Tantillo, D. J.; Tang, Y. J. Am. Chem. Soc. 2013, 135, 16805-16808: "A Cytochrome P450 Serves as an Unexpected Terpene Cyclase during Fungal Meroterpenoid Biosynthesis," highlighted as a JACS spotlight article.
(152) Onizuka, K.; Harrison, J. G.; Ball-Jones, A. A.; Ibarra-Soza, J. M.; Zheng, X.; Ly, D.; Lam, W.; Mac, S.; Tantillo, D. J.; Beal, P. A. J. Am. Chem. Soc. 2013, 135, 17069-17077: "Short Interfering RNA Guide Strand Modifiers from Computational Screening," highlighted in Chemical & Engineering News and ACS Chemical Biology.
(151) Maity, P.; Pemberton, R. P.; Tantillo, D. J.; Tambar, U. K. J. Am. Chem. Soc. 2013, 135, 16380-16383: "Bronsted Acid Catalyzed Enantioselective Indole Aza-Claisen Rearrangement Mediated by an Arene CH-O Interaction," highlighted in SYNFACTS.
(150) Harrison, J. G..; Zheng, Y. B.; Beal, P. A.; Tantillo, D. J. ACS Chem. Biol. 2013, 8, 2354-2359: "Computational Approaches to Predicting the Impact of Novel Bases on RNA Structure and Stability"
(149) Gutierrez, O.; Strick, B. F.; Thomson, R. J.; Tantillo, D. J. Chem. Sci. 2013, 4, 3997-4003: "Mechanism of Triflimide-Catalyzed [3,3]-Sigmatropic Rearrangements of N-Allylhydrazones - Predictions and Experimental Validation"
(148) Gutierrez, O.; Harrison, J. G.; Felix, R. J.; Guzman, F. C.; Gagne, M. R.; Tantillo, D. J. Chem. Sci. 2013, 4, 3894-3898: "Carbonium vs. Carbenium Ion-like Transition State Geometries for Carbocation Cyclization - How Strain Associated with Bridging Affects 5-exo vs. 6-endo Selectivity"
(147) Hong, Y. J.; Irmisch, S.; Wang, S. C.; Garms, S.; Gershenzon, J.; Zu, L.; Kollner, T. G.; Tantillo, D. J. Chem. Eur. J. 2013, 19, 13590-13600: "Theoretical and Experimental Analysis of the Reaction Mechanism of MrTPS2, a Triquinane-forming Sesquiterpene Synthase from Chamomile"
(146) Sorto, N. A.; Painter, P. P.; Fettinger, J. C.; Tantillo, D. J.; Shaw, J. T. Org. Lett. 2013, 15, 2700-2703: "Design and Synthesis of Mimics of the T7-loop of FtsZ"
(145) Tantillo, D. J. Nat. Prod. Rep. 2013, 30, 1079-1086: "Walking in the Woods with Quantum Chemistry - Applications of Quantum Chemical Calculations in Natural Product Research," featured on the cover.
(144) Felix, R. J.; Gutierrez, O.; Tantillo, D. J., Gagne, M. R. J. Org. Chem. 2013, 78, 5685-5690: "Gold(I)-Catalyzed Formation of Bicyclo[4.2.0]oct-1-enes"
(143) Coffman, K. C.; Palazzo, T. A.; Hartley, T. P.; Fettinger, J. C.; Tantillo, D. J.; Kurth, M. J. Org. Lett. 2013, 15, 2062-2065: "Heterocycle–Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones"
(142) Hudson, B. M.; Harrison, J. G.; Tantillo, D. J. Tetrahedron Lett. 2013, 54, 2952-2955: "Assessing the Viability of Biosynthetic Pathways for Calophyline A Formation - Are Pericyclic Reactions Involved?"
(141) Tantillo, D. J.; Schleyer, P. v. R. Org. Lett. 2013, 15, 1725-1727: "Nonamethylcyclopentyl Cation Rearrangement Mysteries Solved"
(140) Hong, Y. J.; Tantillo, D. J. Chem. Sci. 2013, 4, 2512-2518: "C-H---pi Interactions as Modulators of Carbocation Structure - Implications for Terpene Biosynthesis"
(139) Pemberton, R. P.; Hong, Y. J.; Tantillo, D. J. Pure Appl. Chem. 2013, 85, 1949-1957: "Inherent Dynamical Preferences in Carbocation Rearrangements Leading to Terpene Natural Products," part of the ICPOC-21 collection.
(138) Davis, R. L.; Lodewyk, M. W.; Siebert, M. R.; Tantillo, D. J. J. Organomet. Chem. 2013, 748, 68-74: "Complex Consequences: Substituent Effects on Metal - - - Arylmethylium Interactions," part of special issue on "Theory and Mechanistic Studies in Metal-Organic Chemistry."
(137) Vaughan, M. M.; Webster, F. X.; Kiemle, D.; Hong, Y. J.; Tantillo, D. J.; Wang, Q.; Coates, R. M.; Wray, A. T.; Askew, W.; O'Donnell, C.; Tokuhisa, J. G.; Boland, W.; Tholl, D. Plant Cell, 2013, 25, 1108-1125: "Formation of the Unusual Semivolatile Diterpene Rhizathalene by the Arabidopsis Class I Terpene Synthase TPS08 in the Root Stele is Involved in Defense Against Belowground Herbivory"
(136) Nguyen, Q. N. N.; Tantillo, D. J. Beilstein J. Org. Chem. 2013, 9, 323-331: "Caryolene-forming Carbocation Rearrangements," part of thematic issue on "new reactive intermediates in organic chemistry."
(135) Hong, Y. J.; Giner, J.-L.; Tantillo, D. J. J. Org. Chem. 2013, 78, 935-941: "Triple-Shifts and Thioether Assistance in Rearrangements Associated with an Unusual Biomethylation of the Sterol Side Chain"
(134) Ogawa, Y.; Painter, P. P.; Tantillo, D. J.; Wender, P. A. J. Org. Chem. 2013, 78, 104-115: "Mechanistic and Computational Studies of Exocyclic Stereocontrol in the Synthesis of Bryostatin-like cis-2,6-Disubstituted-4-Alkylidene Tetrahydropyrans by Prins Cyclization," part of Robert Ireland Memorial Issue.
(133) Lebold, T. P.; Wood, J. L.; Deitch, J.; Lodewyk, M. W.; Tantillo, D. J.; Sarpong, R. Nature Chem. 2013, 5, 126-131: "A Divergent Approach to the Synthesis of the Yohimbinoid Alkaloids Venenatine and Alstovenine"
(132) Harrison, J. G.; Tantillo, D. J. J. Molec. Model. 2013, 19, 1981-1984: "Role of Gold in a Complex Cascade Reaction Involving Two Electrocyclization Steps," invited for special issue on Quitel 2011.
-2012-
(131) Lodewyk, M. W.; Soldi, C.; Jones, P. B.; Olmstead, M. M.; Larrucea, J. R.; Shaw, J. T.; Tantillo, D. J. J. Am. Chem. Soc. 2012, 134, 18550-18553: "The Correct Structure of Aquatolide - Experimental Validation of a Theoretically-Predicted Structural Revision," highlighted in Chemistry World and Chemical & Engineering News.
(130) Sio, V.; Harrison, J. G.; Tantillo, D. J. Tetrahedron Lett. 2012, 53, 6919-6922: "Theoretical Assessment of the Viability of Thermal [2+2] Processes for Formation of Plumisclerin A"
(129) Gutierrez, O.; Tantillo, D. J. J. Org. Chem. 2012, 77, 8845-8850: "Analogies Between Synthetic and Biosynthetic Reactions in which [1,2]-Alkyl Shifts are Combined with Other Events - Dyotropic, Schmidt and Carbocation Rearrangements," invited JOCSynopsis.
(128) Avila, B.; El-Dakdouki, M. H.; Nazer, M. Z.; Harrison, J. G.; Tantillo, D. J.; Haddadin, M. J.; Kurth, M. J. Tetrahedron Lett. 2012, 53, 6475–6478: "Acid and Base Catalyzed Davis-Beirut Reaction: Experimental and Theoretical Mechanistic Studies and Synthesis of Novel 3-Amino-2H-indazoles"
(127) Knapp, J. M.; Zhu, J. S.; Tantillo, D. J.; Kurth, M. J. Angew. Chem. Int. Ed. 2012, 51, 10588-10591: "Multicomponent Assembly of Highly Substituted Indoles by Dual Palladium-Catalyzed Coupling Reactions," highlighted in SYNFACTS.
(126) Hong, Y. J.; Ponec, R.; Tantillo, D. J. J. Phys. Chem. A 2012, 116, 8902-8909: "Changes in Charge Distribution, Molecular Volume, Accessible Surface Area and Electronic Structure Along the Reaction Coordinate for a Carbocationic Triple Shift Rearrangement of Relevance to Diterpene Biosynthesis"
(125) Wedler, H. B.; Cohen, S. R.; Davis, R. L.; Harrison, J. G.; Siebert, M. R.; Willenbring, D.; Hamann, C. S.; Shaw, J. T.; Tantillo, D. J. J. Chem. Educ. 2012, 89, 1400-1404: "Computational Chemistry for the Blind and Visually Impaired"
(124) Zu, L.; Xu, M.; Lodewyk, M. W.; Cane, D. E.; Peters, R. J.; Tantillo, D. J. J. Am. Chem. Soc. 2012, 134, 11369-11371: "Effect of Isotopically Sensitive Branching on Product Distribution for Pentalenene Synthase - Support for a Mechanism Predicted by Quantum Chemistry"
(123) Harrison, J. G.; Tantillo, D. J. Phys. Chem. Chem. Phys. 2012, 14, 14756-14759: "Fusing Cubanes to 1,5-Hexadiene," invited for themed issue on "Predicting New Molecules by Quantum Chemical Methods," featured on the inside cover.
(122) Nouri, D. H.; Tantillo, D. J. Org. Biomol. Chem. 2012, 10, 5514-5517: "Attack of Radicals and Protons on Ladderane Lipids: Quantum Chemical Calculations and Biological Implications," featured on the cover.
(121) Leverett, C. A.; Purohit, V. C.; Johnson, A. G.; Davis, R. A.; Tantillo, D. J.; Romo, D. J. Am. Chem. Soc. 2012, 134, 13348-13356: "Dyotropic Rearrangements of Fused Tricyclic-beta-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone"
(120) Gutierrez, O.; Harrison, J. G.; Pemberton, R. P; Tantillo, D. J. Chem. Eur. J. 2012, 18, 11029-11035: "Reexamining the Mechanisms of Competing Pericyclic Reactions of 1,3,7-Octatriene"
(119) Liu, R.; Gutierrez, O.; Tantillo, D. J.; Aube, J. J. Am. Chem. Soc. 2012, 134, 6528-6531: "Stereocontrol in a Combined Allylic Azide Rearrangement and Intramolecular Schmidt Reaction: Application to Asymmetric Synthesis of Pinnaic Acid"
(118) Siebert, M. R.; Paranjothy, M.; Sun, R.; Tantillo, D. J.; Hase, W. L. J. Chem. Theor. Comput. 2012, 8, 1212-1222: "Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement. Role of Enzymatic Steering in Abietic Acid Biosynthesis"
(117) Laulhe, S; Bogdanov, B.; Johannes, L. M.; Gutierrez, O.; Harrison, J. G.; Tantillo, D. J.; Zhang, X.; Nantz, M. H. J. Mass Spectrom. 2012, 47, 676-686: "Fragmentation of Oxime and Silyl Oxime Ether Odd-electron Positive Ions by the McLafferty Rearrangement: New Insights on Structural Factors that Promote alpha,beta-Fragmentation"
(116) Felix, R. J.; Weber, D.; Gutierrez, O.; Tantillo, D. J.; Gagne, M. R. Nature Chem. 2012, 4, 405-409: "A Gold-Catalysed Enantioselective Cope Rearrangement of Achiral 1,5-Dienes," highlighted in SYNFACTS.
(115) Fukuto, J. M.; Tantillo, D. J.; Harrison, J. G.; Carrington, S. J.; Chen, A. D.; Ignarro, L. J.; Freeman, B. A.; Wink, D. A. Chem. Res. Tox. 2012, 25, 769-793: "Small Molecule Signaling Agents: The Integrated Chemistry and Biochemistry of Nitrogen Oxides, Oxides of Carbon, Dioxygen, Hydrogen Sulfide and Their Derived Species"
(114) Knapp, J. M.; Wood, A. B.; Phuan, P.-W.; Lodewyk, M. W.; Tantillo, D. J.; Verkman, A. S.; Kurth, M. J. J. Med. Chem. 2012, 55, 1242-1251: "Structure-Activity Relationships of Cyanoquinolines with Corrector-Potentiator Activity in (delta)F508-Cystic Fibrosis Transmembrane Conductance Regulator Protein"
(113) Quasdorf, K. W.; Huters, A. D.; Lodewyk, M. W.; Tantillo, D. J.; Garg, N. K. J. Am. Chem. Soc. 2012, 134, 1396-1399: "Total Synthesis of Oxidized Welwitindolinones and (-)-N-Methylwelwitindolinone C Isonitrile"
(112) Gutierrez, O.; Aube, J.; Tantillo, D. J. J. Org. Chem. 2012, 77, 640-647: "Mechanism of the Acid Promoted Intramolecular Schmidt Reaction. Theoretical Assessment of the Importance of Lone Pair-Cation, Cation-pi and Steric Effects in Controlling Regioselectivity"
(111) Biggs-Houck, J. E.; Davis, R. L.; Wei, J.; Mercado, B. Q.; Olmstead, M. M.; Tantillo, D. J.; Shaw, J. T. J. Org. Chem. 2012, 77, 160-172: "Carbon-Carbon Bond-Forming Reactions of alpha-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules," highlighted in Cheminform.
(110) Lodewyk, M. W.; Siebert, M. R.; Tantillo, D. J. Chem. Rev. 2012, 112, 1839-1862: "Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic and Synthetic Organic Chemistry"
(109) Hong, Y. J.; Tantillo, D. J. Chem. Commun. 2012, 48, 1571-1573: "Theoretical Calculations on Carbocations Involved in the Biosynthesis of Bergamotenes and Related Terpenes - The Same and Not the Same." Part of the 2012 Emerging Investigators issue.
-2011-
(108) Hong, Y. J.; Tantillo, D. J. J. Am. Chem. Soc. 2011, 133, 18249-18256: "The Taxadiene-Forming Carbocation Cascade"
(107) Hong, Y. J.; Tantillo, D. J. Organometallics 2011, 30, 5825-5831: "Does Gold as a Substituent Accelerate [3,3] Sigmatropic Shifts?"
(106) Davis, R. L.; Leverett, C. A.; Romo, D.; Tantillo, D. J. J. Org. Chem. 2011, 76, 7167-7174: "Switching Between Concerted and Stepwise Mechanisms for Dyotropic Rearrangements of beta-Lactones Leading to Spirocyclic, Bridged gamma-Butyrolactones"
(105) Guggenheim, K. G.; Butler, J. D.; Painter, P. P.; Lorsbach, B. A.; Tantillo, D. J.; Kurth, M. J. J. Org. Chem. 2011, 76, 5803-5812: "Synthesis of Spiro-fused Pyrazolidoisoxazolines"
(104) Tantillo, D. J.; Lee, J. K. Annu. Rep. Prog. Chem., Sect. B 2011, 107, 266-286: "Reaction Mechanisms. Pericyclic Reactions"
(103) Siebert, M. R.; Zhang, J.; Addepalli, S. V.; Tantillo, D. J.; Hase, W. L. J. Am. Chem. Soc. 2011, 133, 8335-8343: "The Need for Enzymatic Steering in Abietic Acid Biosynthesis: Gas-Phase Chemical Dynamics Simulation of Carbocation Rearrangements on a Bifurcating Potential Energy Surface"
(102) Tantillo, D. J. Nat. Prod. Rep. 2011, 28, 1035-1053: "Biosynthesis via Carbocations: Theoretical Studies on Terpene Formation," invited review.
(101) Lodewyk, M. W.; Tantillo, D. J. J. Nat. Prod. 2011, 74, 1339-1343: "Prediction of the Structure of Nobilisitine A Using Computed NMR Chemical Shifts"
(100) Hong, Y. J.; Tantillo, D. J. Org. Lett. 2011, 13, 1294-1297: "How Many Secondary Carbocations are Involved in the Biosynthesis of Avermitilol?"
(99) Siebert, M. R.; Yudin, A. K.; Tantillo, D. J. Eur. J. Org. Chem. 2011, 553-561: "The Effect of Strain on the Rh(I)-Catalyzed Rearrangement of Allyl Amines"
(98) Siebert, M. R.; Tantillo, D. J. J. Phys. Org. Chem. 2011, 24, 445-449: "Fundamental Properties of N-Alkenylaziridines - Implications for the Design of New Reactions and Organocatalysts"
-2010-
(97) Siebert, M. R.; Osbourn, J. M.; Brummond, K. M.; Tantillo, D. J. J. Am. Chem. Soc. 2010, 132, 11952-11966: "Differentiating Mechanistic Possibilities for the Thermal, Intramolecular [2 + 2] Cycloaddition of Allene-ynes"
(96) Hong, Y. J.; Tantillo, D. J. Org. Biomol. Chem. 2010, 8, 4589-4600: "Quantum Chemical Dissection of The Classic Terpinyl/Pinyl/Bornyl/Camphyl Cation Conundrum - The Role of Pyrophosphate in Manipulating Pathways to Monoterpenes"
(95) Gutierrez, O.; Tantillo, D. J. Organometallics 2010, 29, 3541-3545: "Transition Metal Intervention for a Classic Reaction - Assessing the Feasibility of Ni(0)-promoted [1,3] Sigmatropic Shifts of Bicyclo[3.2.0]hept-2-enes"
(94) Hong, Y. J.; Tantillo, D. J. Chem. Sci. 2010, 1, 609-614: "A Tangled Web - Interconnecting Pathways to Amorphadiene and the Amorphene Sesquiterpenes"
(93) Butler, J. D.; Conrad, W. E.; Lodewyk, M. W.; Fettinger, J. C.; Tantillo, D. J.; Kurth, M. J. Org. Lett. 2010, 12, 3410-3413: "Synthesis of Substituted Chromanones: An Organocatalytic Aldol/oxa-Michael Reaction"
(92) Lee, J. K.; Tantillo, D. J. Annu. Rep. Prog. Chem., Sect. B 2010, 106, 283-303: "Reaction Mechanisms. Pericyclic Reactions"
(91) Tantillo, D. J. Chem. Soc. Rev. 2010, 39, 2847-2854: "The Carbocation Continuum in Terpene Biosynthesis - Where are the Secondary Cations?" invited tutorial review.
(90) Hong, Y. J.; Tantillo, D. J. J. Am. Chem. Soc. 2010, 132, 5375-5386: "Formation of Beyerene, Kaurene, Trachylobane and Atiserene Diterpenes by Rearrangements that Avoid Secondary Carbocations"
(89) Tantillo, D. J. Org. Lett. 2010, 12, 1164-1167: "How an Enzyme Might Accelerate an Intramolecular Diels-Alder Reaction - Theozymes for the Formation of Salvileucalin B"
(88) Davis, R. L.; Tantillo, D. J. Curr. Org. Chem. 2010,14, 1561-1577: "Theoretical Studies on Pentadienyl Cation Electrocyclizations," invited review for special issue on Molecular Simulations in Organic Chemistry.
(87) Davis, R. L.; Tantillo, D. J. J. Org. Chem. 2010, 75, 1693-1700: "Dissecting a Dyotropic Rearrangement"
(86) Ye, L.; Haddadin, M. J.; Lodewyk, M. W.; Ferreira, A.; Fettinger, J. C.; Tantillo, D. J.; Kurth, M. J. Org. Lett. 2010, 12, 164-167: "Cyclopenta[b]pyrroles from Triazines - Synthetic and Mechanistic Studies"
(85) Lodewyk, M. W.; Lui, V. G.; Tantillo, D. J. Tetrahedron Lett. 2010, 51, 170-173: "Synthesis of (Sulfonyl)methylphosphonate Analogs of Prenyl Diphosphates"
(84) Gribanova, T. N.; Starikov, A. G.; Minyaev, R. M.; Minkin, V. I.; Siebert, M. R.; Tantillo, D. J. Chem. Eur. J. 2010, 16, 2272-2281: "Sandwich Compounds of Transition Metals with Cyclopolyenes and Isolobal Boron Analogues"
(83) Wang, S. C.; Beal, P. A.; Tantillo, D. J. J. Comput. Chem. 2010, 31, 721-725: "Covalent Hydration Energies for Purine Analogs by Quantum Chemical Methods"
-2009-
(82) Wang, S. C.; Troast, D.; Sheridan-Conda, M.; Zuo, G.; LaGarde, D.; Louie, J.; Tantillo, D. J. J. Org. Chem. 2009, 74, 7822-7833: "Mechanism of the Ni(0)-Catalyzed Vinylcyclopropane - Cyclopentene Rearrangement"
(81) Pokharel, S.; Jayalath, P.; Maydanovych, O.; Goodman, R.; Wang, S. C.; Tantillo, D. J.; Beal, P. A. J. Am. Chem. Soc. 2009, 131, 11882-11891: "Matching Active Site and Substrate Structures for an RNA Editing Reaction"
(80) Hong, Y. J.; Tantillo, D. J. Org. Biomol. Chem. 2009, 7, 4101-4109: "Modes of Inactivation of Trichodiene Synthase by a Cyclopropane-Containing Farnesyldiphosphate Analog"
(79) Tantillo, D. J.; Lee, J. K. Annu. Rep. Prog. Chem., Sect. B 2009, 105, 285-309: "Reaction Mechanisms. Pericyclic Reactions"
(78) Hong, Y. J.; Tantillo, D. J. Nature Chem. 2009, 1, 384-389: "A Potential Energy Surface Bifurcation in Terpene Biosynthesis." This article was highlighted in Nature Chemical Biology (2009, 5, 614).
(77) Lodewyk, M. W.; Kurth, M. J.; Tantillo, D. J. J. Org. Chem. 2009, 74, 4804-4811: "Mechanisms for Formation of Diazocinones, Pyridazines, and Pyrazolines from Tetrazines - Oxyanion-Accelerated Pericyclic Cascades?"
(76) Hong, Y. J.; Tantillo, D. J. J. Am. Chem. Soc. 2009, 131, 7999-8015: "Consequences of Conformational Preorganization in Sesquiterpene Biosynthesis. Theoretical Studies on the Formation of the Bisabolene, Curcumene, Acoradiene, Zizaene, Cedrene, Duprezianene, and Sesquithuriferol Sesquiterpenes"
(75) Ho, G. A.; Nouri, D. H.; Tantillo, D. J. Tetrahedron Lett. 2009, 50, 1578-1581: "Carbocation Rearrangements in Aspernomine Biosynthesis"
(74) Meng, L.; Wang, S. C.; Fettinger, J. C.; Kurth, M. J.; Tantillo, D. J. Eur. J. Org. Chem. 2009, 1578-1584: "Controlling Selectivity for Cycloadditions of Nitrones and Alkenes Tethered by Benzimidazoles: Combining Experiment and Theory"
(73) Tantillo, D. J. Angew. Chem. Int. Ed. 2009, 48, 31-32: "Using Theory and Experiment to Discover Catalysts for Electrocyclizations," invited Highlight.
-2008-
(72) Wang, S. C.; Tantillo, D. J. Org. Lett. 2008, 10, 4827-4830: "Prediction of a New Pathway to Presilphiperfolanol"
(71) Siebert, M. R.; Tantillo, D. J. Org. Lett. 2008, 10, 3219-3222: "[3,3]-Sigmatropic Shifts of N-Allylhydrazones: Quantum Chemical Comparison of Concerted and Radical Cation Pathways"
(70) Yu, G. J.; Yoo, C. L.; Yang, B.; Lodewyk, M. W.; Meng, L.; El-Idreesy, T. T.; Fettinger, J. C.; Tantillo, D. J.; Verkman, A. S.; Kurth, M. J. J. Med. Chem. 2008, 51, 6044-6054: "Potent s-cis-Locked Bithiazole Correctors of ?F508-Cystic Fibrosis Transmembrane Conductance Regulator Cellular Processing for Cystic Fibrosis Therapy"
(69) Lee, J. K.; Tantillo, D. J. Annu. Rep. Prog. Chem., Sect. B 2008, 104, 260-283: "Reaction Mechanisms. Pericyclic Reactions"
(68) Nouri, D. H.; Tantillo, D. J. Tetrahedron 2008, 64, 5672-5679: "Sigmatropic Shifts and Cycloadditions on Neutral, Cationic, and Anionic Pentadienyl + Butadiene Potential Energy Surfaces"
(67) Marcus, A. P; Lee, A. S.; Davis, R. L.; Tantillo, D. J.; Sarpong, R. Angew. Chem. Int. Ed. 2008, 47, 6379-6383: "Pronounced Steric Effects of Substituents in the Nazarov Cyclization of Aryl Dienyl Ketones"
(66) Lodewyk, M. W.; Gutta, P.; Tantillo, D. J. J. Org. Chem. 2008, 73, 6570-6579: “Computational Studies on Biosynthetic Carbocation Rearrangements Leading to Sativene, Cyclosativene, α-Ylangene, and β-Ylangene"
(65) Siebert, M. R.; Yudin, A. K.; Tantillo, D. J. Org. Lett. 2008, 10, 56-60: "Cycloaddition/Ring Opening Reaction Sequences of N-Alkenyl Aziridines: Influence of the Aziridine Nitrogen on Stereoselectivity"
(64) Tantillo, D. J. J. Phys. Org. Chem. 2008, 21, 561-570: "Recent Excursions to the Borderlands between the Realms of Concerted and Stepwise: Carbocation Cascades in Natural Products Biosynthesis"
(63) Wang, S. C.; Tantillo, D. J. J. Org. Chem. 2008, 73, 1516-1523: "Theoretical Studies on Synthetic and Biosynthetic Oxidopyrylium–Alkene Cycloadditions. Pericyclic Pathways to Intricarene"
(62) Carpenter, R. D.; DeBerdt, P. B.; Holden, J. B.; Milinkevich, K. A.; Min, T.; Willenbring, D.; Fettinger, J. C.; Tantillo, D. J.; Kurth, M. J. J. Comb. Chem. 2008, 10, 225-229: "Design and Synthesis of Propeller-shaped Dispiroisoxazolopiperidinochromanones"
-2007-
(61) Hong, Y. J.; Tantillo, D. J. J. Org. Chem. 2007, 72, 8877-8881: "Perturbing the Structure of the 2-Norbornyl Cation through C-H---N and C-H---π Interactions"
(60) Wang, S. C.; Tantillo, D. J. J. Org. Chem. 2007, 72, 8394-8401: "Substituent Effects on Tandem Alkenyl Migration/Electrophilic Aromatic Substitution Reactions"
(59) Willenbring, D.; Tantillo, D. J. Russ. J. Gen. Chem. 2008, 78, 723-731 (Rossiiskii Khimicheskii Zhurnal 2007, 51, 49-55): "Mechanistic Possibilities for Oxetane Formation in the Biosynthesis of Taxol's D Ring"
(58) Siebert, M. R.; Tantillo, D. J. J. Am. Chem. Soc. 2007, 129, 8686-8687: "Transition State Complexation in Palladium-Promoted [3,3] Sigmatropic Shifts"
(57) Tantillo, D. J.; Lee, J. K. Annu. Rep. Prog. Chem., Sect. B 2007, 103, 272-293: "Reaction Mechanisms. Pericyclic Reactions"
(56) El-Badri, M. H.; Willenbring, D.; Tantillo, D. J.; Gervay-Hague, J. J. Org. Chem. 2007, 72, 4663-4672: "Mechanistic Studies on the Stereoselective Formation of β-Mannosides from Mannosyl Iodides Using α-Deuterium Kinetic Isotope Efffects"
(55) Park, Y. S.; Wang, S. C.; Tantillo, D. J.; Little, R. D. J. Org. Chem. 2007, 72, 4351-4357: "A Highly Selective Rearrangement of a Housane-derived Cation Radical; an Electrochemically Mediated Transformation"
(54) Gutta, P.; Tantillo, D. J. Org. Lett. 2007, 9, 1069-1071: "A Promiscuous Proton in Taxadiene Biosynthesis?"
(53) Siebert, M. R.; Tantillo, D. J. J. Phys. Org. Chem. 2007, 20, 384-394: "Brother vs. Brother: Competitive Stabilization of Carbocationic Centers Flanked by Cyclopropanes and Alkenes"
(52) Wang, S. C.; Tantillo, D. J. J. Phys. Chem. A 2007, 111, 7149-7153: "Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens"
-2006-
(51) Hong, Y. J.; Tantillo, D. J. Org. Lett. 2006, 8, 4601-4604: "Which is More Likely in Trichodiene Biosynthesis: Hydride or Proton Transfer?"
(50) Tantillo, D. J.; Hoffmann, R. Acc. Chem. Res. 2006, 39, 477-486: "Snakes and Ladders. The Sigmatropic Shiftamer Concept"
(49) Tantillo, D. J. Annu. Rep. Prog. Chem., Sect. B 2006, 102, 269-289: "Reaction Mechanisms. Pericyclic Reactions"
(48) Meadows, D. C.; Tantillo, D. J.; Gervay-Hague, J. ChemMedChem 2006, 1, 959-964: "Correlation of Biological Activity with Active Site Binding Modes of Geminal Disulfone HIV-1 Integrase Inhibitors"
(47) Gutta, P.; Tantillo, D. J. J. Am. Chem. Soc. 2006, 128, 6172-6179: "Theoretical Studies of Farnesyl Cation Cyclization: Pathways to Pentalenene"
(46) Wang, S. C.; Tantillo, D. J. J. Organomet. Chem. 2006, 691, 4386-4392: "Metal Promoted Vinylcyclopropane-Cyclopentene Rearrangements: Reactions Ripe for Mechanism-Based Catalyst Design," invited contribution to special "Theory and Mechanistic Studies" issue.
(45) Yoo, C. L.; Olmstead, M. M.; Tantillo, D. J.; Kurth, M. J. Tetrahedron Lett. 2006, 47, 477-481: "Synthesis of 2H-Pyrroles via the 1,3-Dipolar Cycloaddition of Nitrile Ylides with Acrylamides"
(44) Ponec, R.; Bultinck, P.; Gutta, P.; Tantillo, D. J. J. Phys. Chem. A 2006, 110, 3785-3789: "Multicenter Bonding in Carbocations with Tetracoordinate Protons"
(43) Bojin, M. D.; Tantillo, D. J. J. Phys. Chem. A 2006, 110, 4810-4816: "Nonclassical Carbocations as C-H Hydrogen Bond Donors"
(42) Siebert, M. R.; Tantillo, D. J. J. Org. Chem. 2006, 71, 645-654: "Tetracoordinate Carbon as a Nucleophile? Interconversion of Carbenium Ions with Carbonium Ions Possessing Nearly Square Pyramidal Pentacoordinate Carbons"
(41) Nouri, D. H.; Tantillo, D. J. Curr. Org. Chem. 2006, 10, 2055-2074: "They Came from the Deep: Syntheses, Applications, and Biology of Ladderanes"
(40) Nouri, D. H.; Tantillo, D. J. J. Org. Chem. 2006, 71, 3686-3695: "Hiscotropic Rearrangements: Hybrids of Electrocyclic and Sigmatropic Reactions"
(39) Wang, S. C. Tantillo, D. J. Eur. J. Org. Chem. 2006, 738-745: "The Mechanism of Semibullvalene Bromination"
-2005-
(38) Ho, G. A.; Nouri, D. Tantillo, D. J. J. Org. Chem. 2005, 70, 5139-5143: "The Cationic Cascade Route to Longifolene"
(37) Gerkin, J. B.; Wang, S. C.; Preciado, A. B.; Park, Y. S.; Nishiguchi, G.; Tantillo, D. J.; Little, R. D. J. Org. Chem. 2005, 70, 4598-4608: "Remote Substituent Effects upon the Rearrangements of Housane Cation Radicals"
(36) Gutta, P.; Tantillo, D. J. Angew. Chem. Int. Ed. 2005, 44, 2719-2723: "Proton Sandwiches: Nonclassical Carbocations with 4-Coordinate Protons." This article was highlighted in the "Science Concentrates" section of the May 2, 2005 issue of C&EN.
(35) Ponec, R.; Bultinck, P.; Van Damme, S.; Carbo, R.; Tantillo, D. J. Theor. Chem. Acc. 2005, 113, 205-211: "Geometric and Electronic Similarities between Transition Structures for Electrocyclizations and Sigmatropic Hydrogen Shifts"
-2004-
(34) Ponec, R.; Yuzhakov, G.; Tantillo, D. J. J. Org. Chem. 2004, 69, 2992-2996: "Multicenter Bonding in Organic Chemistry. Geometry Sensitive 3c-2e Bonding in (C---H---C) Fragments of Organic Cations"
(33) Tantillo, D. J.; Hoffmann, R.; Houk, K. N.; Warner, P. M.; Brown, E. C.; Henze, D. K. J. Am. Chem. Soc. 2004, 126, 4256-4263: "Extended Barbaralanes - Sigmatropic Shiftamers or σ-Polyacenes?"
(32) Tantillo, D. J.; Leach, A.; Zhang, X.; Houk, K. N: "Theoretical Studies of Antibody Catalysis" In Catalytic Antibodies, Wiley-VCH: Weinheim, Germany, 2004, pp. 72-117.
(31) Hietbrink, B. N.; Tantillo, D. J.; Houk, K. N.; Merlic, C. A.: "Chromium Tricarbonyl-Coordinated Carbocations" In Carbocation Chemistry, Wiley Interscience: Hoboken, NJ, 2004, pp. 279-289.
(30) Houk, K. N.; Tantillo, D. J.; Stanton, C.; Hu, Y. Top. Curr. Chem. 2004, 238, 1-22: "What have Theory and Crystallography Revealed About the Mechanism of Catalysis by Orotidine Monophosphate Decarboxylase?" (J.K. Lee and D. J. Tantillo, co-editors).
(29) Tantillo, D. J.; Hoffmann, R. Eur. J. Org. Chem. 2004, 273-280: "Hydrogen Migration Over Organic Tapes: [1,5] Sigmatropic Shiftamers"
-2003-
(28) Hoffmann, R.; Tantillo, D. J. Angew. Chem. Int. Ed. 2003, 42, 5877-5882: "Breaking Down Barriers: The Liaison Between Sigmatropic Shifts, Electrocyclic Reactions, and 3-Center Cations"
(27) Tantillo, D. J.; Hoffmann, R. Helv. Chim. Acta 2003, 86, 3525-3532: "Helicoid Shiftamers for the Transport of π-Clumps and Charges," part of a special issue in honor of Duilio Arigoni.
(26) Lee, J. K.; Tantillo, D. J. Adv. Phys. Org. Chem. 2003, 38, 183-218: "Computational Studies on the Mechanism of Orotidine Monophosphate Decarboxylase," part of a volume honoring Prof. Ken Houk on the occasion of his 60th birthday.
(25) Tantillo, D. J.; Hoffmann, R. J. Am. Chem. Soc. 2003, 125, 4042-4043: "Prospecting for a 5-Center 4-Electron (C---H---C---H---C)+ Bonding Array"
-2002-
(24) Ujaque, G.; Tantillo, D. J.; Hu, Y.; Houk, K. N.; Hotta, K.; Hilvert, D. J. Comp. Chem. 2002, 24, 98-110: "Catalysis on the Coastline: Theozyme, Molecular Dynamics, and Free Energy Perturbation Analysis of Antibody 21D8 Catalysis of the Decarboxylation of 5-Nitro-3-Carboxybenzisoxazole," part of a special issue honoring Dr. Peter A. Kollman.
(23) Tantillo, D. J.; Hoffmann, R. J. Am. Chem. Soc. 2002, 124, 6836-6837: "Helicoid Shiftamers"
(22) Tantillo, D. J.; Hoffmann, R. Angew. Chem. Int. Ed. 2002, 41, 1033-1036: "Sigmatropic Shiftamers: Fluxionality in Broken Ladderane Polymers"
(21) Tantillo, D. J.; Hoffmann, R. J. Org. Chem. 2002, 67, 1419-1426: "Fickle Hexadienes. Manipulating the Relative Energies of Chairlike and Boatlike Transition Structures for the Cope Rearrangement." The J. Org. Chem. cover highlighting this article was the subject of an editorial in C&EN 2002(March 18), 80, 5.
(20) Tantillo, D. J.; Houk, K. N. J. Comp. Chem. 2002, 23, 84-95: "Transition State Docking: A Probe for Noncovalent Catalysis in Biological Systems. Application to Antibody-Catalyzed Ester Hydrolysis," part of a special issue on biological applications of computational chemistry.
-2001-
(19) Tantillo, D. J.; Carpenter, B. K.; Hoffmann, R. Organometallics 2001, 20, 4562-4564: "Disrotatory and Conrotatory Transition Structures for the Fe(CO)3-Templated Rearrangement of Methylenecyclopropane to Trimethylenemethane"
(18) Tantillo, D. J.; Hoffmann, R. J. Am. Chem. Soc. 2001, 123, 9855-9859: "Complicated Goings-on in the Metal-Manipulated Ring-Opening of Cyclobutene"
(17) Tantillo, D. J.; Hoffmann, R. Helv. Chim. Acta 2001, 84, 1396-1404: "Demoniac Intervention in the Thermal Electrocyclic Ring-Opening of Cyclobutenes: Fe(CO)3-Complexation of Pericyclic Transition Structures," part of a special issue in honor of Edgar Heilbronner.
(16) Tantillo, D. J.; Houk, K. N. Chem. Biol. 2001, 8, 535-545: "Canonical Binding Arrays as Molecular Recognition Elements in the Immune System: Tetrahedral Anions and the Ester Hydrolysis Transition State"
(15) Houk, K. N.; Lee, J. K.; Tantillo, D. J.; Bahmanyar, S.; Hietbrink, B. N. ChemBioChem 2001, 2, 113-118: "Crystal Structures of Orotidine Monophosphate Decarboxylase: Does the Structure Reveal the Mechanism of the Most Proficient Enzyme?"
(14) Tantillo, D. J.; Houk, K. N.; Jung, M. E. J. Org. Chem. 2001, 66, 1938-1940: "Origins of Stereoselectivity in Intramolecular Diels-Alder Cycloadditions of Dienes and Dienophiles Linked by Ester and Amide Tethers"
-2000-
(13) Tantillo, D. J.; Houk, K. N.: "Theozymes and Catalyst Design" In Stimulating Concepts in Chemistry, Wiley-VCH: Weinheim, Germany, 2000, pp. 79-88.
(12) Hotta, K.; Lange, H.; Tantillo, D. J.; Houk, K. N.; Hilvert, D.; Wilson, I. A. J. Mol. Biol. 2000, 302, 1213-1225: "Catalysis of Decarboxylation by a Preorganized Heterogenous Microenvironment: Crystal Structures of Abzyme 21D8"
(11) Chow, D. S.; Zamborszky, F.; Alavi, B.; Tantillo, D. J.; Baur, A.; Merlic, C. A.; Brown, S. E. Phys. Rev. Lett. 2000, 85, 1698-1701: "Charge Ordering in the TMTTF Family of Molecular Conductors"
(10) Tantillo, D. J.; Hietbrink, B. N.; Merlic, C. A.; Houk, K. N. J. Am. Chem. Soc. 2000, 122, 7136-7137 (additional note: J. Am. Chem. Soc. 2001, 123, 5851): "Attenuating and Supplanting Nonclassical Stabilization: Cr(CO)3-Complexed Benzonorbornenyl Cations"
(9) Tantillo, D. J.; Fukuto, J. M.; Hoffman, B. M.; Silverman, R. B.; Houk, K. N. J. Am. Chem. Soc. 2000, 122, 536-537: "Theoretical Studies on NG-Hydroxy-L-arginine and Derived Radicals: Implications for the Mechanism of Nitric Oxide Synthase"
-1999-
(8) Brown, S. E.; Clark, W. G.; Alavi, B.; Hall, D.; Naughton, M. J.; Tantillo, D. J.; Merlic, C. A. Phys. Rev. B. 1999, 60, 6270-6272: "High-field Magnetization of the Spin-Peierls Compound (TMTTF)2PF6"
(7) Merlic, C. A.; Baur, A.; Tantillo, D. J.; Brown, S. E. Synth. Commun. 1999, 29, 2953-2958: "Synthesis of Carbon-13 Labeled Tetramethyltetrathiafulvalene"
(6) Brown, S. E.; Clark, W. G.; Alavi, B.; Chow, D. S.; Merlic, C. A.; Tantillo, D. J. Synthetic Metals 1999, 103, 2056-2057: "Incommensurate Phase of the Organic Spin-Peierls Compound (TMTTF)2PF6"
(5) Tantillo, D. J.; Houk, K. N.; Hoffman, R. V.; Tao, J. J. Org. Chem. 1999, 64, 3830-3837: "The Origins of Regio- and Stereoselectivity in Acid-Promoted Reactions of α-Lactams"
(4) Tantillo, D. J.; Houk, K. N. J. Org. Chem. 1999, 64, 3066-3076: "Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters?"
(3) Merlic, C. A.; Walsh, J. C.; Tantillo, D. J.; Houk, K. N. J. Am. Chem. Soc. 1999, 121, 3596-3606: "Chemical Hermaphroditism: The Potential of the Cr(CO)3 Moiety to Stabilize Transition States and Intermediates with Anionic, Cationic or Radical Character at the Benzylic Position"
-1998-
(2) Tantillo, D. J.; Chen, J.; Houk, K. N. Curr. Op. Chem. Biol. 1998, 2, 743-750: "Theozymes and Compuzymes: Theoretical Models for Biological Catalysis"
(1) Chow, D. S.; Wzietek, P.; Fogliatti, D.; Alavi, B.; Tantillo, D. J.; Merlic, C. A.; Brown, S. E. Phys. Rev. Lett. 1998, 81, 3984-3987: "Singular Behavior in the Pressure-Tuned Competition between Spin-Peierls and Antiferromagnetic Ground States of (TMTTF)2PF6"
Books
(2) Dean J. Tantillo, editor, Applied Theoretical Organic Chemistry, World Scientific, 2018.
(1) J.K. Lee and D. J. Tantillo, co-editors, Top. Curr. Chem. 2004, 238: "Orotidine Monophosphate Decarboxylase. A Mechanistic Dialogue"
Lectures, Posters, Commentaries, Editorials, etc.
Dean...
-2024-
(217) Dean J. Tantillo: "Non-statistical Dynamic Effects on Organometallic Reactivity." Invited lecture presented (remotely) at the Global Virtual Symposium on "Emerging Landscape of Organometallic Chemistry & Catalysis" at the Fall National Meeting of the American Chemical Society, August 21, 2024.
(216) Dean J. Tantillo: "Catalysis of Carbocation Rearrangements - Nature Did It First …Do We Dare to Think We Can Do It Better?" Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 29-August1, 2024.
(215) Dean J. Tantillo: "DFT for NMR Prediction." Invited lecture presented (remotely) at the IVAN NMR Users Group workshop on "the Application of DFT Calculations in NMR Spectroscopy", July 25, 2024.
(214) Dean J. Tantillo: "Is My Low Yield the Result of a Post-Transition State Bifurcations?" Invited lecture presented at the Organic Reactions and Processes Gordon Conference, Bryant University, Smithfield, RI, July 21-26, 2024.
(213) Dean J. Tantillo: "Dynamic Effects on Organic Reactivity - Pathways to and from Discomfort." Invited keynote lecture presented at the 22nd MERCURY Conference on Computational Chemistry, University of California - Merced, CA, July 17-19, 2024.
(212) Dean J. Tantillo: "Post-Transition State Bifurcations - Why Should Organic Chemists Care?" Invited ACS Science Talk presented remotely, June 18, 2024.
(211) Dean J. Tantillo: "Post-Transition State Bifurcations - Why Should You Care?" Invited keynote lecture presented at the 19th Meeting of the French American Chemical Society (FACS), Paris, France, June 2-6, 2024.
(210) Dean J. Tantillo: "Catalysis of Carbocation Rearrangements - Nature Did It First …Do We Dare to Think We Can Do It Better?" Invited lecture presented at the Modelling Supramolecular Catalysis: Methods and Applications CECAM Workshop, Paris, France, May 11-13, 2024.
(209) Dean J. Tantillo: "Organic Reactions with Bifurcating Reaction Coordinates - What, Why, Why Care?" Invited lecture presented at the 2024 West Coast Theoretical Chemistry (WCTC) meeting, UC Merced, CA, May 5, 2024.
(208) Dean J. Tantillo: "No One Needs to See Molecules to Do Chemistry - Making Chemistry Accessible for the Blind and Visually Impaired." Invited presentation (remote) at the Open Chemistry Collaborative in Diversity Equity (OXIDE) National Diversity Equity Workshop (NDEW) 2024, HHMI's Headquarters Campus, Chevy Chase, MD, April 9-11, 2024.
(207) Dean J. Tantillo: "Shining a Light on Reaction Pathway Bifurcations." Invited lecture presented at Binghamton University Binghamton, NY, March 22, 2024.
(206) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Unusual Structure and Reactivity in Terpene Biosynthesis." Invited plenary lecture presented at the 29th Mona Symposium on Natural Products & Medicinal Chemistry, Kingston, Jamaica, January 4, 2024.
-2023-
(205) Dean J. Tantillo: "Dynamic Effects on Selectivity of Organic Reactions in Solvent." Invited lecture presented at 755th WE-Heraeus-Seminar (Solvation Chemistry and Reactive Molecules), Physikzentrum, Bad Honnef, Germany, September 17-22, 2023.
(204) Dean J. Tantillo: "Dynamic Effects on Organic Reactivity - Pathways to and from Discomfort." Award address presented at Arthur C. Cope Award Symposum, American Chemical Society National Meeting, San Francisco, CA, August 15, 2023.
(203) Dean J. Tantillo: "Shining a Light on Reaction Pathway Bifurcations." Invited lecture presented at Symposium in Honor of the 80th Birthday of Prof. Kendall N. Houk: Pushing Back the Frontiers of Computational Organic Chemistry and Chemical Biology, American Chemical Society National Meeting, San Francisco, CA, August 13, 2023.
(202) Dean J. Tantillo: "Contributions of Quantum Chemistry to Understanding of Terpene Biosynthesis." Invited lecture presented at TERPNET 2023, University of California, Davis, CA, July 31-August 4, 2023.
(201) Dean J. Tantillo: "Reaction Pathway Bifurcations are Everywhere?" Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 17-21, 2023.
(200) Dean J. Tantillo: "Reaction Pathway Bifurcations Where You Might Not Expect." Invited lecture presented at the Physical Organic Chemistry Gordon Research Conference, Holderness, NH, June 29, 2023.
(199) Dean J. Tantillo and Henry Wedler: "A Fireside Chat on Mentoring." Invited presentation at the National Academies' Disrupting Ableism and Advancing STEM: A National Leadership Summit event (remote), June 13, 2023.
(198) Dean J. Tantillo: "Which Way to Go and When to Let Go - Computations on Complications of Catalysis with Rhodium Dicarboxylates." Invited lecture presented at Colorado State University, Fort Collins, CO, April 24, 2023.
(197) Dean J. Tantillo: "No One Actually Needs to See Molecules - Computational Chemistry for the Blind and Visually Impaired." Invited award presentation at the 2023 ADVANCE Award Symposium, UC Davis, April 22, 2023.
(196) Dean J. Tantillo: "No One Needs to See Molecules to Do Chemistry - Making Chemistry Accessible for the Blind and Visually Impaired." Invited presentation at UC Chemistry Conference on Diversity, Equity, and Inclusion at UC Santa Cruz, April 15, 2023.
(195) DJ Schrödingnerd J. Immaterial Sci. 2023, 3, 4-5: "A Theoretical Study of NO2PS2 or On the Bending of SPOONS."
(194) Dean J. Tantillo: "Revealing Unexpected Pathways in Terpene Biosynthesis with Quantum Chemistry." Invited lecture presented at the Institute of Biological Chemistry, Academia Sinica, Taipei, Taiwan, February 15, 2023.
(193) Dean J. Tantillo: "Which Way to Go and When to Let Go - Complications of Catalysis with Rhodium Dicarboxylates." Invited lecture presented at the Institute of Chemistry, Academia Sinica, Taipei, Taiwan, February 7, 2023.
(192) Dean J. Tantillo: "Pushing the Limits of Quantum Chemical Modeling for Catalytic Organometallic Reactions – Models of Metal-Carbene Reactivity and Selectivity." Invited lecture presented (remotely) at the 5th ICReDD (Institute for Chemical Reaction Design and Discovery) International Symposium, Hokkaido University, Hokkaido, Japan, January 11, 2023.
-2022-
(191) Dean J. Tantillo: "Dynamic Control of Reactivity and Selectivity in Dirhodium Tetracarboxylate Promoted Reactions." Invited plenary lecture presented (remotely) at the Designing Catalysts on Computers 2022 Conference (DCC22), Indian Association for the Cultivation of Science, Kolkata, India, December 2-3, 2022.
(190) Hare, S. R.; Pinhas, A. R.; Rehbein, J.; Tantillo, D. J.; Wiggins, S. J. Phys. Org. Chem. 2022, e4431 : "Barry Carpenter – Pioneering Physical Organic Chemist, Teacher, Mentor and Friend"
(189) Dean J. Tantillo: "Stories of Two of My Favorite Catalyst Systems – Dirhodium Tetracarboxylates and Ken Houk." Invited lecture presented at the Houk Research Conference, UCLA, Los Angeles, CA, August 10-12, 2022.
(188) Dean J. Tantillo: "Dynamic Control of Reactivity and Selectivity in Dirhodium Tetracarboxylate Promoted Reactions." Invited keynote lecture presented (remotely) at the 25th International Conference on Physical Organic Chemistry (ICPOC25), Hiroshima, Japan, July 10-15, 2022.
(187) Dean J. Tantillo: "Dynamic Control of Reactivity and Selectivity in Dirhodium Tetracarboxylate Promoted Reactions." Invited plenary lecture presented at the 38th Reaction Mechanisms Conference, Boulder, CO, June 12-15, 2022.
(186) Burrows, C. J.; Harper, J. B.; Sander, W.; Tantillo, D. J. J. Org. Chem. 2022, 87, 1599-1601: "Solvation Effects in Organic Chemistry," editorial accompanying special issue.
(185) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - QM-Informed Modeling of Reactions in Terpene Biosynthesis." Invited presentation (remote) at BASF, January 25, 2022.
-2021-
(184) Dean J. Tantillo: "Tunneling Reactions." Response to letter to the editors related to Am. Sci. 2021, 109, 274-277: "Tunnel Vision".
(183) Dean J. Tantillo: "Models of Metal-Carbene Reactivity and Selectivity from Quantum Chemical Studies." Invited lecture presented (remotely) at Pacifichem symposium on Carbenes for Catalysis and Synthesis (#373), December 18, 2021.
(182) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry – Dynamic Effects on Organic Reactions." Invited opening lecture presented (remotely) for the 'IV Graduation and Post-Graduation Symposium of the Academic Department of Chemistry and Biology', Academic Department of Chemistry and Biology of the Federal University of Technology – Paraná (UTFPR), Curitiba, Brazil, August 23, 2021.
(181) Dean J. Tantillo: "Some of the Many Things I Still Don't Understand About Entropy." Invited lecture presented (remotely) at “Accelerating Reaction Discovery - A TSRC Collaborative”, July 26-29, 2021.
(180) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - QM-Informed Modeling of Reactions in Terpene Biosynthesis." Invited presentation (remotely) at ManusBio Inc., Cambridge, MA, May 25, 2021.
(179) Dean J. Tantillo: "Applied Theoretical Organic Chemistry as a Way of Life - who, what, where, when, why, how?" Invited presentation (remotely) for UCLA's C145/245 Computational Organic Chemistry course, March, 10, 2021.
-2020-
(178) Dean J. Tantillo: "Applied Theoretical Organic Chemistry in the Time of COVID-19." Invited lecture presented (remotely) to the UC Davis Chemistry Club, November 18, 2020.
(177) Henry Wedler, Dean J. Tantillo and Eric Anslyn: "CRIP Conversations - Disability Culture & Disability Studies Panel." Invited presentation (remotely) at University of Texas Austin, November 18, 2020.
(176) Dean J. Tantillo: "Post-Transition State Dynamics for Organic Reactions." Invited lecture presented (remotely) at Colorado School of Mines, September 25, 2020.
(175) Dean J. Tantillo: "Paths of Least Resistance - Dynamic Effects on Organic Reactions of Synthetic Relevance." Invited lecture presented (remotely) at Sonoma State University, September 4, 2020.
(174) Dean J. Tantillo: "Dynamic Effects on Organic Reactions of Synthetic Relevance." Invited lecture presented (remotely) to the Center for Divergent Reactivity Design working group, August 25, 2020.
(173) Dean J. Tantillo: "Unusual Dynamic Effects Related to Entropy." Invited lecture presented (remotely) at “Accelerating Reaction Discovery - A TSRC Collaborative”, July 27-31, 2020.
(172) Royal Society of Chemistry: "Joint Statement from our Editorial Board Members" (on discrimination and diversity).
(171) Dean J. Tantillo: "Wiggling, Jiggling and Reaching Out." Invited lecture presented (remotely) to the staff of the Department of Chemistry, UC Davis, Davis, CA, April 13, 2020.
(170) Dean J. Tantillo: "Structures and Reactivity of Complex Natural Products from Quantum Chemical Computations." Invited lecture presented at Michigan State University (Department of Biochemistry and Molecular Biology), East Lansing, MI, January 30, 2020.
(169) Dean J. Tantillo: "Quantum Chemistry for the Assignment of Organic Structures." Invited lecture presented at UC Davis' West Coast Metabolomics Center, Davis, CA, January 22, 2020.
-2019-
(168) Dean J. Tantillo: "Those Plants Outside are Crazy! Structures and Reactivity of Complex Natural Products from Quantum Chemical Computations." Invited lecture presented to the UC Davis Agricultural and Environmental Chemistry Graduate Group, Davis, CA, November 18, 2019.
(167) Dean J. Tantillo: "Post-Transition State Dynamics for Organic Reactions." Invited plenary lecture presented at the 27th International Conference on Current Trends in Computational Chemistry, Jackson, MS, November 8-9, 2019.
(166) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Unexpected Discoveries in the World of Terpene Biosynthesis." Invited lecture presented at UC Merced, Merced, CA, November 1, 2019.
(165) Dean J. Tantillo: "Quantum Chemistry in the World of Terpene Biosynthesis." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 22-26, 2019.
(164) Dean J. Tantillo: "Structures and Reactivity of Complex Natural Products from Quantum Chemical Computations." Invited lecture presented at Academia Sinica, Taipei, Taiwan, May 21, 2019.
(163) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Unexpected Discoveries in the World of Terpene Biosynthesis." Invited lecture presented at the National Taiwan University, Taipei, Taiwan, May 16, 2019.
(162) Henry Wedler and Dean J. Tantillo: "Accessibility of Careers in STEM for the Blind and Visually Impaired." Presentation at the Society for the Blind, Sacramento, CA, May 11, 2019.
(161) Dean J. Tantillo: "Post-Transition State Bifurcations are Gaining Momentum - Implications for Synthesis and Biosynthesis." Invited lecture presented at the University of Georgia, Athens, GA, April 25, 2019.
(160) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Post-Transition State Bifurcations in Terpene Biosynthesis." Invited lecture presented at the University of Florida, Gainesville, FL, April 12, 2019.
(159) Dean J. Tantillo: "Dynamic Effects on Fates of Reactive Intermediates." Lecture presented at the American Chemical Society National Meeting, Orlando, FL, April 1, 2019.
(158) Dean J. Tantillo: "Structures and Reactivity of Complex Natural Products from Quantum Chemical Computations." Student-invited lecture presented as part of an NIH T32 program at Indiana University, Bloomington, IN, March 22, 2019.
(157) Dean J. Tantillo: "Post-Transition State Bifurcations are Gaining Momentum - Implications for Synthesis and Biosynthesis." Invited lecture presented at the University of Hiroshima, Japan, January 15, 2019.
(156) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Mechanistic Peculiarities in Terpene Biosynthesis." Invited lecture presented at the Tokyo Institute of Technology, Japan, January 11, 2019.
(155) Dean J. Tantillo: "Post-Transition State Bifurcations are Gaining Momentum - Implications for Synthesis and Biosynthesis." Invited lecture presented at the University of Tokyo (Komaba), Japan, January 9, 2019.
(154) Dean J. Tantillo: "Applying Quantum Mechanics to Problems in Organic and Bioorganic Structure and Reactivity." Invited lecture presented at the University of Tokyo (Hongo), Japan, January 8, 2019.
(153) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Mechanistic Peculiarities in Terpene Biosynthesis." Invited lecture presented at the University of Tokyo (Hongo), Japan, January 7, 2019.
-2018-
(152) Dean J. Tantillo: "Post-Transition State Bifurcations are Gaining Momentum." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 30-August 2, 2018.
(151) Dean J. Tantillo: "3D Printing as a Means of Making Chemistry Accessible to Blind Students." Lecture presented as part of the UC Davis COSMOS program, Davis, CA, July 20, 2018.
(150) Dean J. Tantillo: "Intermolecular Interactions Involving Carbocations." Invited lecture presented at the 13th International Symposium on Macrocyclic and Supramolecular Chemistry, Quebec, Canada, July 12, 2018.
(149) Dean J. Tantillo: "On Being Ambimodal (or How Interacting with Ken Distorted Me)." Invited lecture presented at the Reaction Mechanisms Conference, Vancouver, Canada, June 12, 2018.
(148) Dean J. Tantillo: "Stranger Things in the World of Energy Surfaces and Dynamics for Organic Reactions." Invited lecture presented at Academia Sinica Taipei, Taiwan, May 22, 2018.
(147) Dean J. Tantillo: "Dynamic Decision Making." Invited keynote lecture presented at the 2nd International Symposium on Organic Reaction Mechanism (honoring Ken Houk), Peking University Shenzhen Graduate School, Shenzhen, China, May 14-15, 2018.
(146) Dean J. Tantillo: "Post-Transition State Bifurcations are Gaining Momentum - Implications for Synthesis and Biosynthesis." Invited lecture presented at the University of Southern Mississippi, Hattiesburg, MS, March 2, 2018.
(145) Bohne, C.; Ganesh, K. N.; Liz-Marzan, L. M.; Zhang, D.; Quina, F. H.; Tantillo, D. J.; Gupta, D.; Paley, M. A.; Qiao, Y.; Soares, D. C. ACS Omega 2018, 3, 595-607: "ACS Omega 2017: A Year-end Expression of Appreciation for the Fundamental Contributions of Our Reviewers"
-2017-
(144) Henry Wedler and Dean J. Tantillo: "Balls and Springs and Quantum Things." Lecture presented at Carbon, Inc., Redwood City, CA, December 8, 2017.
(143) Dean J. Tantillo: "Balls and Springs and Quantum Things." Lecture presented at Woodland Rotary Club, Woodland, CA, November 21, 2017.
(142) Carenco, S.; Ilies, L.; Scarabelli, L.; Tantillo, D. Chemistry International 2017, 39, 49-50: "From Young Observers to Young Actors: A Message to IUPAC from a Few Young Observers"
(141) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry – UCLA-Inspired Carbocation Craziness." Invited lecture presented at the UCLA Chemistry-Biology Interface (CBI) Day, UCLA, Los Angeles, CA, September 18, 2017.
(140) Dean J. Tantillo: "This, That, and the Other." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, August 6-11, 2017.
(139) Dean J. Tantillo: "Applied Theoretical Organic Chemistry. Models & Mischief." Invited lecture presented to REU students, UC Davis, Davis, CA, August 4, 2017.
(138) Dean J. Tantillo: "Turning Computational Complications into Opportunities for Reaction Optimization and Design." Invited lecture presented at the Gordon Research Conference on Organic Reactions and Processes, Stonehill University, Easton, MA, July 23-28, 2017.
(137) Dean J. Tantillo: "Unusual Mechanistic Aspects of Terpene Biosynthesis. The Importance of Inherent Substrate Reactivity." Invited lecture presented at the 46th World Chemistry Congress (IUPAC-2017), Sao Paulo, Brazil, July 11, 2017.
(136) Dean J. Tantillo: "Post-Transition State Bifurcations Gain Momentum." Invited lecture presented at ISRIUM 2017, Sorrento, Italy, June 19, 2017.
(135) Dean J. Tantillo: "Modern Carbcoation Chemistry - Theory and Mechanism." Invited lecture presented at Academia Sinica Taipei, Taiwan, May 24, 2017.
(134) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - New Concepts in the World of Terpene Biosynthesis." Invited lecture presented at the University of Ottawa, Ottawa, Canada, May 4, 2017.
(133) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions."Invited lecture presented at Northwestern University, Evanston, IL, February 24, 2017.
(132) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at Michigan State University, East Lansing, MI, February 22, 2017.
(131) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - New Concepts in the World of Terpene Biosynthesis." Invited lecture presented at Brigham Young University, Provo, UT, January 9, 2017.
(130) Dean J. Tantillo: "Key Mechanistic Concepts in Terpene Biosynthesis." Invited lecture presented at Brigham Young University, Provo, UT, January 9, 2017.
-2016-
(129) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited Plenary Lecture presented at the 27th Symposium on Physical Organic Chemistry, Hiroshima, Japan, September 1-3, 2016.
(128) Dean J. Tantillo: "Ladderane Lipids... What? Where? Why? How?" Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, August 1-4, 2016.
(127) Dean J. Tantillo: "Non-Traditional Stereocontrol Elements." Invited lecture presented at the Gordon Research Conference on Stereochemistry, Salve Regina University, Newport, RI, July 24-29, 2016.
(126) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented to NSF-REU students, University of California, Davis, CA, July 22, 2016.
(125) Dean J. Tantillo: "Modulation of the Reactivity of Carbocations and Metallonitrenes by Post-Transition State Bifurcations and Dynamic Effects." Invited lecture presented at Heron7 - The 7th Heron Island Conference on Reactive Intermediates and Unusual Molecules, Heron Island, Australia, July 9, 2016.
(124) Dean J. Tantillo: "Modern Mechanistic Issues in Carbocation Chemistry - Biological Inspirations and Implications." Invited Keynote Lecture presented at the International Conference on Physical Organic Chemistry (ICPOC23), University of New South Wales, Sydney, Australia, July 6, 2016.
(123) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at the Australian National University, Canberra, Australia, June 30, 2016.
(122) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at the University of Queensland, Brisbane, Australia, June 28, 2016.
(121) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. New Concepts in the World of Natural Products Biosynthesis." Invited Bertram Dillon Steele Lecture presented at the University of Queensland, Brisbane, Australia, June 27, 2016.
(120) Tantillo, D. J. UC Davis Explorations (The UC Davis Undergraduate Research Journal) 2016, 18: "Forks in the Road." Guest editorial.
(119) Dean J. Tantillo: "Recent Advances in Applied Theoretical Organic Chemistry - From Metals to Mighty Trees." Invited lecture presented at Academia Sinica Taipei, Taiwan, June 2, 2016.
(118) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at the Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Korea, May 31, 2016.
(117) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at the Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Korea, May 30, 2016.
(116) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at Shanghai Institute of Organic Chemistry, Shanghai, China, May 25, 2016.
(115) Tantillo, D. J. Acc. Chem. Res. 2016, 49, 1079: "Faster, Catalyst! React! React! Exploiting Computational Chemistry for Catalyst Development and Design." Guest editorial for special issue on "Computational Catalysis for Organic Synthesis."
(114) Dean J. Tantillo: "Non-Traditional Control Elements in Organometallic and Organo-Catalyzed Reactions." Invited lecture presented at Genentech, South San Francisco, CA, April 18, 2016.
(113) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at the University of Rochester, NY, April 1, 2016.
(112) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at the Rochester Institute of Technology, Rochester, NY, March 31, 2016.
(111) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at the University of Wisconsin, Madison, WI, March 28, 2016.
(110) Dean J. Tantillo: "Balls and Springs and Quantum Things." Lecture presented at Accessible Science's Chemistry Camp for blind and visually impaired students, Napa, CA, March 20, 2016.
-2015-
(109) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry. The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at Boston University, Boston, MA, October 5, 2015.
(108) Dean J. Tantillo: "Binding, Bifurcations and Biosynthesis, Oh My." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 27-31, 2015.
(107) Dean J. Tantillo: "How Much Do Supramolecular Interactions Contribute to Product Selectivity in Terpene Synthases?" Invited lecture presented at the Physical Organic Chemistry Gordon Research Conference, Holderness, NH, June 25, 2015.
(106) Dean J. Tantillo: "Importance of Inherent Substrate Reactivity for Terpene Synthase Reactions." Invited lecture presented at TERPNET 2015, University of British Columbia, Vancouver, CA, June 4, 2015.
(105) Dean J. Tantillo: "Applications of Quantum Chemistry in Synthesis and Biosynthesis." Invited lecture presented at the Instituite of Chemistry, Academia Sinica, Taipei, Taiwan, April 29, 2015.
(104) Dean J. Tantillo: "Why It's Tough for Me to Teach Undergrads." Workshop (AbbVie Workshop Series) presented at the University of Minnesota, Minneapolis, MN, April 11, 2015.
(103) Dean J. Tantillo: "Forks in the Road - The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture (AbbVie Workshop Series) presented at the University of Minnesota, Minneapolis, MN, April 10, 2015.
(102) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - The Importance of Inherent Carbocation Reactivity in Terpene Biosynthesis." Invited lecture presented at the University of Toronto, Canada, February 13, 2015.
-2014-
(101) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Mechanisms of Terpene-Forming Carbocation Cascades." Invited lecture presented at the University of Alberta, Edmonton, Canada, December 1, 2014.
(100) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Mechanisms of Terpene-Forming Carbocation Cascades." Invited Streitwieser Lecture presented at the University of California, Berkeley, CA, November 25, 2014.
(99) Dean J. Tantilo and Alexei Buevich: "DFT Methods and Applications." Invited presentation at SMASH NMR Conference, Atlanta, GA, September 10, 2014.
(98) Dean J. Tantillo: "Strategies for Designing Catalyst-Transition Structure and Protein-Ligand Interactions from Applied Computational Chemistry." Invited lecture presented at Cytokinetics, South San Francisco, CA, August 20, 2014.
(97) Dean J. Tantillo and Hoby Wedler: "3D Printing as a Means of Making Chemistry Accessible to Blind Students." Lecture presented at the 248th American Chemical Society National Meeting, San Francisco, CA, August 11, 2014.
(96) Dean J. Tantillo: "Five Different Approaches to Catalyzing [3,3] Sigmatropic Rearrangements." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 29-August 2, 2015.
(95) Dean J. Tantillo: "Theoretical Natural Products Chemistry: Explain, Predict, Design." Invited lecture presented at Workshop Quimica/Chemistry @ PUC/UCD - Chemistry, Our Present and Future: Making Bonds Between Science and Development, Pontificia Universidad Catolica, Santiago, Chile, July 7-9, 2014.
(94) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Dynamics of Terpene-Forming Carbocation Cascades." Invited lecture presented at University of Texas Southwestern Medical Center, Dallas, TX, February 11, 2014.
(93) Dean J. Tantillo: "Balls and Springs and Quantum Things: Computational Chemistry and Molecules Made by Trees." UC Davis Science Cafe, Davis, CA, January 15, 2014.
-2013-
(92) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Dynamics of Terpene-Forming Carbocation Cascades." Invited lecture presented at Yale University, New Haven, CT, October 31, 2013.
(91) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Studying Natural Product Biosynthesis with Computational Chemistry." Invited lecture presented at the 44th ACS Western Regional Meeting, Santa Clara, CA, October 3-6, 2013.
(90) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Dynamics of Terpene-Forming Carbocation Cascades." Invited lecture presented at University of Texas - Austin, Austin, TX, September 6, 2013.
(89) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Dynamics of Terpene-Forming Carbocation Cascades." Invited lecture presented at Texas A&M University, College Station, TX, September 5, 2013.
(88) Dean J. Tantillo: "Weak Interactions that Control Molecular and Intermolecular Geometries - Implications for Catalysis, Drug Design and Biosynthesis." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, August 5-9, 2013.
(87) Dean J. Tantillo: "Theoretical Studies with Houk and Schleyer on Unusual Carbocations." Invited lecture presented at the International Symposium on Organic Reaction Mechanism (honoring 4 chemists with February 28 birthdays: Houk, Schleyer, Grubbs, Truhlar), Peking University Shenzhen Graduate School, Shenzhen, China, May 8-9, 2013.
(86) Dean J. Tantillo: "Applications of Computational Chemistry to Problems in Bioorganic and Medicinal Chemistry." Invited lecture presented at Academia Sinica, Taipei, Taiwan, April 30, 2013.
(85) Dean J. Tantillo: "Using Quantum Chemical Calculations to Reveal the Secrets of Terpene Biosynthesis." Invited lecture presented at California State Univeristy - Chico, Chico, CA, February 22, 2013.
(84) Dean J. Tantillo: "Dynamics of Terpene-Forming Carbocation Rearrangements." Invited lecture presented at the Mesilla Chemistry Workshop on Dynamics for Chemical Reaction Pathways. Role of Non-Statistical Effects, Las Cruces/Mesilla, NM, February 9-12, 2013.
-2012-
(83) Dean J. Tantillo: "Theoretical Studies on [1,2] Sigmatropic Shifts Coupled Together and to Other Reactions - Implications for Synthesis and Biosynthesis," Invited lecture presented at UCLA, Los Angeles, CA, November 16, 2012.
(82) Dean J. Tantillo: "Nonclassical Carbocations in Nature - Not a Problem," Invited lecture presented at the Celebration of the 100th Birthday of Saul Winstein, UCLA, Los Angeles, CA, October, 7, 2012.
(81) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Theoretical Studies on Biosynthetic Carbocation Rearrangements," Invited lecture presented at Oxford University, Oxford, UK, September, 14, 2012.
(80) Dean J. Tantillo: "Dynamics of Terpene-Forming Carbocation Rearrangements." Keynote lecture presented at the 21st International Conference on Physical Organic Chemistry (ICPOC21), Durham, UK, September 9-13, 2012, associated with the 2012 Natural Product Reports Lectureship.
(79) Dean J. Tantillo: "Applied Theoretical Chemistry for Reaction Design." Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, July 6-10, 2012.
(78) Dean J. Tantillo: "Formation Mechanisms and Structural Assignments for Complex Terpenes from Quantum Chemical Calculations." Invited lecture presented at the Natural Products Gordon Research Conference, Andover, NH, July 22-26, 2012.
(77) Dean J. Tantillo: "Dynamics of Terpene-Forming Carbocation Cascades." Invited lecture presented at the UCLA International Congress of Quantum Chemistry (ICQC) Satellite Symposium on Quantum Mechanics and Molecular Dynamics of Organic and Biological Reactivity, UCLA, Los Angeles, CA, June 21-23, 2012.
(76) Dean J. Tantillo: "Energy Surfaces for Terpene-Forming Carbocation Rearrangements with Multiple Sequential Bifurcations." Invited lecture presented at the 34th Annual Reaction Mechanisms Conference, University of Missouri, Columbia, MO, June 19-22, 2012.
-2011-
(75) Dean J. Tantillo: "Molecules that Should Not Exist." Invited lecture presented at the 23rd Annual Kavli Frontiers of Science Symposium, Irvine, CA, November 18, 2011.
(74) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at Oregon State University, Corvalis, OR, November 3, 2011.
(73) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at University of the Pacific, Stockton, CA, September 27, 2011.
(72) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Lawrence J. Schaad Lectureship in Theoretical Chemistry, presented at Vanderbilt University, Nashville, TN, September 20, 2011.
(71) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Using Theory to Explore Polycyclization Pathways in Terpene Biosynthesis." Invited lecture presented at Sacramento State University, Sacramento, CA, September 16, 2011.
(70) Dean J. Tantillo: "Dissecting and Designing Dyotropic and Other Reactions" Invited lecture presented at “Accelerating Reaction Discovery - A TSRC Collaborative”, Telluride, CO, June 20-24, 2011.
(69) Dean J. Tantillo: "Dyotropic Reactions are Everywhere?" Invited lecture presented at Indiana University, Bloomington, IN, May 31, 2011.
(68) Dean J. Tantillo: "Quantum Chemical Studies of Terpene-Forming Carbocation Cascades." Invited lecture presented at TERPNET 2011, Kalmar, Sweden, May 22-26, 2011.
(67) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Using Theory to Explore Polycyclization Pathways in Terpene Biosynthesis." Invited lecture presented at Peking University, Beijing, China, May 9, 2011.
(66) Dean J. Tantillo: "Carbocation-Pi Interactions in Terpene Biosynthesis." Invited lecture presented at the Mesilla Chemistry Workshop on Aromatic Interactions in Chemistry and Biology, Las Cruces/Mesilla, NM, February 5-9, 2011.
(65) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at Wake Forest University, Winston-Salem, NC, February 2, 2011.
(64) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at Indiana University, Bloomington, IN, January 31, 2011.
-2010-
(63) Dean J. Tantillo: "Structure, Formation and Reactivity of Complex Polycyclic Molecular Architectures." Invited lecture presented at the 2010 Mini-Symposium on Chemical Biology, Academia Sinica, Taipei, Taiwan, December 8, 2010.
(62) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Using Theory to Explore Polycyclization Pathways in Terpene Biosynthesis." Invited lecture presented at Pomona College (joint Claremont Colleges seminar), Claremont, CA, October 12, 2010.
(61) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Carbocation Cascades in Terpene Biosynthesis." Invited lecture presented at the University of Louisville, Louisville, KY, October 8, 2010.
(60) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry - Carbocation Cascades in Terpene Biosynthesis." Invited lecture presented at the University of Kentucky, Lexington, KY, October 7, 2010.
(59) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at UC Merced, Merced, CA, September 10, 2010.
(58) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Invited lecture presented at SUNY-ESF, Syracuse, NY, August 4, 2010.
(57) Dean J. Tantillo: "Walking in the Woods with Quantum Chemistry." Keynote lecture presented at the 9th MERCURY Conference, Hamilton College, Clinton, NY, August 1-3, 2010.
(56) Dean J. Tantillo: "Dissecting Dyotropic Reactions: Theoretical Studies of Synthetic and Biosynthetic Rearrangements." Invited lecture presented at NovaBay Pharmaceuticals, Emeryville, CA, April 21, 2010.
-2009-
(55) Dean J. Tantillo: "Weird, Wild Carbocations and Cascade Rearrangements in Terpene Biosynthesis." Invited lecture presented at Sonoma State University, Rohnert Park, CA, October 12, 2009.
(54) Dean J. Tantillo: "Did Nature Create the Nonclassical Ion Problem? Carbocation Cascades in Terpene Biosynthesis." Invited lecture presented at the University of California, Los Angeles, CA, March 30, 2009.
-2008-
(53) Dean J. Tantillo: "Transition Metal Promoted Sigmatropic Shifts: Intervention or Transition State Complexation?" Invited lecture presented at the Division of Physical Chemistry's "Advances in Electronic Structure of Transition Metal Systems and Organometallics" symposium at the 236th ACS National Meeting, Philadelphia, PA, August 17-21, 2008, PHYS293.
(52) Dean J. Tantillo: "Carbocation Cascades & Metal Promoted Sigmatropic Shifts - Transition State Stabilization in Synthesis and Biosynthesis." Invited lecture presented at the University of San Diego, San Diego, CA, February 21, 2008.
(51) Dean J. Tantillo: "Carbocation Cascades & Metal Promoted Sigmatropic Shifts - Transition State Stabilization in Synthesis and Biosynthesis." Invited lecture presented at the University of Pittsburgh, Pittsburgh, PA, January 31, 2008.
(50) Dean J. Tantillo: "Carbocation Cascades & Metal Promoted Sigmatropic Shifts - Transition State Stabilization in Synthesis and Biosynthesis." Invited lecture presented at Florida State University, Tallahassee, FL, January 24, 2008.
-2007-
(49) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Terpenoid Natural
Products." Invited lecture
presented as part of the Organic Division's Young Investigators Symposium at the 234th ACS National Meeting, Boston, MA,
August 19-23, 2007; paper ORGN 58.
(48) Dean J. Tantillo: "Mechanistic Studies on Carbocation Cascades Occurring During the Biosynthesis of Polycyclic Natural Products." Invited lecture as awardee of the 2007 Journal of Physical Organic Chemistry Award for Early Excellence in the Field of Physical Organic Chemistry, presented at 11th European Symposium on Organic Reactivity (ESOR XI), Universidade do Algarve, Faro, Portugal, July 3, 2007.
(47) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at Caltech, Pasadena, CA, May 16, 2007.
(46) Dean J. Tantillo: "Computational Chemistry as a Tool for Solving Mechanistic Mysteries: Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at Trinity University, San Antonio, TX, April 19, 2007.
(45) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at the University of Houston, Houston, TX, April 17, 2007.
(44) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Terpenoid Natural Products." Invited lecture presented at Rice University, Houston, TX, April 16, 2007.
(43) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at the University of North Texas, Denton, TX, April 13, 2007.
(42) Dean J. Tantillo: "Mechanisms of Metal-Promoted Sigmatropic Shifts -Everything Old Is New Again." Invited lecture presented at the University of North Texas, Denton, TX, April 12, 2007.
(41) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at Texas Tech University, Lubbock, TX, April 11, 2007.
(40) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Terpenoid Natural Products." Invited lecture presented at Brown University, Providence, RI, April 3, 2007.
(39) Dean J. Tantillo: "Computational Chemistry as a Tool for Solving Mechanistic Mysteries: Applications in Synthesis and Biosynthesis." Informal talk presented to Medicinal Chemistry Group at UC Davis, Davis, CA, February 22, 2007.
-2006-
(38) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at the University of Nevada, Reno, NV, November 3, 2006.
(37) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at the University of California, Riverside, CA, October 13, 2006.
(36) Dean J. Tantillo: "Carbocation Cascades in the Biosynthesis of Polycyclic Natural Products." Invited lecture presented at the University of California, San Diego, CA, September 25, 2006.
(35) Dean J. Tantillo: "From Hydrolytic Antibodies to Terpene Synthases: Modeling Abzymes and Enzymes with Theozymes." Short invited lecture presented at the 1st Annual Chemistry-Biology Interface Day, University of California, Los Angeles, CA, July 21, 2006.
(34) Pradeep Gutta, Yong J. Hong, and Dean J. Tantillo: "Sesquiterpene-Forming Carbocation Rearrangements." Short lecture by Dean Tantillo invited based on poster presented at the 31st Reaction Mechanisms Conference, University of Maryland, College Park, MD, June 27-30, 2006.
(33) Dean J. Tantillo: "Carbocation Cascades in Terpenoid Biosynthesis." Invited lecture presented at the University of California, Santa Barbara, CA, May 4, 2006.
(32) Dean J. Tantillo: "Theoretical Studies on Unusual Carbocation Rearrangements in Terpenoid Biosynthesis." Invited lecture presented at the University of Arkansas, Fayetteville, AR, April 24, 2006.
(31) Dean J. Tantillo: "Theoretical Studies on Unusual Carbocation Rearrangements in Terpenoid Biosynthesis." Invited lecture presented at Georgetown University, Washington, DC, April 20, 2006.
(30) Dean J. Tantillo: "Theoretical Studies on Unusual Carbocation Rearrangements in Terpenoid Biosynthesis." Invited lecture presented at Rutgers University, Piscataway, NJ, April 18, 2006.
(29) Dean J. Tantillo: "Microorganisms, Metals, and Computational Chemistry in the Construction of Complex Cyclopentenes." Invited lecture presented at the R. Bryan Miller Symposium, UC Davis, Davis, CA, March 10, 2006.
(28) Dean J. Tantillo: "Theoretical Studies on Unusual Carbocation Rearrangements in Terpenoid Biosynthesis." Invited lecture presented at the Cope Scholar Symposium in honor of Weston. T. Borden at the 40th Western Regional ACS Meeting, Anaheim, CA, January 23, 2006.
-2005-
(27) Dean J. Tantillo: "Proton Sandwiches and Cationic Cascades in Pentalenene Biosynthesis." Invited lecture presented at the 2005 National Science Foundation Workshop on Physical Organic Chemistry, Bodega Bay, CA, July 31-August 3, 2005.
(26) Dean J. Tantillo: "Impossible Molecules and Improbable Reactions." Invited lecture presented at California State University, Northridge, Northridge, CA, April 20, 2005.
(25) Dean J. Tantillo: "Impossible Molecules and Improbable Reactions - Theoretical Studies of Unusual Carbocations and Their Rearrangements." Invited lecture presented at California State University, Sacramento, Sacramento, CA, February 11, 2005.
(24) Dean J. Tantillo: "Serendipity in Reaction and Structure Design: Theoretical Studies of Unusual Carbocations and Cationic Rearrangements." Invited lecture presented at San Diego State University, San Diego, CA, February 4, 2005.
-2004-
(23) Dean J. Tantillo: "Ladderane Lipids and Reaction Design - Theoretical Studies of Cyclization and Rearrangement Reactions." Invited lecture presented to the Agricultural and Environmental Chemistry Graduate Group at the University of California, Davis, CA, December 6, 2004.
-2003-
(22) Dean J. Tantillo: "Uncovering the Origins of Antibody Catalysis: Transition State Complexation and Catalysis on the Coastline." Invited lecture presented at Hobart & William Smith Colleges, Geneva, NY, April 3, 2003.
(21) Dean J. Tantillo: "Demons, Fireflies, and Catalysis on the Coastline: Adventures in Theoretical Organometallic and Bioorganic Chemistry." Invited lecture presented at the University of California, Davis, CA, February 11, 2003.
(20) Dean J. Tantillo: "Demons, Fireflies, and Catalysis on the Coastline: Adventures in Theoretical Organometallic and Bioorganic Chemistry." Invited lecture presented at the University of California, Santa Barbara, CA, January 21, 2003.
-2002-
(19) Dean J. Tantillo: "Fireflies, Demons, Snakes & Ladders: Mechanistic Mysteries and Molecular Design." Invited lecture presented at Washington University, St. Louis, MO, December 11, 2002.
(18) Dean J. Tantillo: "Fireflies, Demons, Snakes & Ladders: Mechanistic Mysteries and Molecular Design." Invited lecture presented at North Carolina State University, Raleigh, NC, December 3, 2002.
(17) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at the University of Florida, Gainesville, FL, March 14, 2002.
(16) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at Michigan State University, East Lansing, MI, January 10, 2002.
(15) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at the University of Texas, Austin, TX, January 7, 2002.
-2001-
(14) Dean J. Tantillo: "Playing with Pericyclic Reactions: Fickle Hexadienes & Sigmatropic Shiftamers." Invited lecture presented at the University of California, Los Angeles, CA, December 17, 2001.
(13) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at Wayne State University, Detroit, MI, December 10, 2001.
(12) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at the University of Hawai'i, Honolulu, HI, December 4, 2001.
(11) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at Brown University, Providence, RI, November 30, 2001.
(10) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at the University of Connecticutt, Storrs, CT, November 26, 2001.
(9) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at Binghamton University, Binghamton, NY, November 8, 2001.
(8) Dean J. Tantillo: "Theoretical Studies of Organometallic and Bioorganic Mechanisms: Chemical Hermaphroditism to Canonical Binding Arrays." Invited lecture presented at the University of Toledo, Toledo, OH, October 15, 2001.
(7) Dean J. Tantillo and Roald Hoffmann: "Metal Manipulated Cyclobutene Ring-Opening Reactions." Poster presented at the 221st ACS National Meeting, San Diego, CA, April 1-5, 2001; paper ORGN 360.
-2000-
(6) Dean J. Tantillo: "Theoretical Bioorganic Chemistry of Antibody Catalysis: Understanding an Antibody Decarboxylase." Lecture presented at the UCLA Department of Chemistry and Biochemistry Organic Chemistry Graduate Symposium, Honoring Christopher S. Foote on His 65th Birthday, Los Angeles, CA, June 3, 2000.
(5) Dean J. Tantillo, Kinya Hotta, Donald Hilvert, and K. N. Houk: "Origins of Catalysis and Cross-Reactivity for an Antibody Decarboxylase." Poster presented at the 219th ACS National Meeting, San Francisco, CA, March 26-30, 2000; paper ORGN 422.
(4) Dean J. Tantillo and K. N. Houk: "Analogies Between Antibody Hydrolases and Decarboxylases." Poster presented at the 5th Annual Maria Goeppert-Mayer Interdisciplinary Symposium, San Diego, CA, March 4, 2000.
-1999-
(3) Dean J. Tantillo, Joseph C. Walsh, Craig A. Merlic, and K. N. Houk: "Chemical Hermaphroditism: The Effect of Cr(CO)3-Complexation on the Structures and Stabilities of Benzylic Reactive Intermediates." Lecture presented at the 217th ACS National Meeting, Anaheim, CA, March 21-25, 1999; paper ORGN 522.
-1998-
(2) Dean J. Tantillo and K. N. Houk: "Stabilization of Transition States and Their Analogs by Hydrolytic Antibodies." Poster presented at the 216th ACS National Meeting, Boston, MA, August 23-27, 1998; paper ORGN 649.
-1997-
(1) Houk, K. N.; Tantillo, D. J. CHEMTRACTS: Organic Chemistry 1997, 10, 1039-1041: Condensation and commentary on "Relaxing Substrate Specificity in Antibody-Catalyzed Reactions: Enantioselective Hydrolysis of N-Cbz-Amino Acid Esters - Research by Tanaka, F.; Kinoshita, K.; Tanimura, R.; Fujii, I."
Co-workers and collaborators (so so many that we evaentually stopped updating :-P)...
-2018-
+ (218) Sophie R. Shoemaker, Yue Zhang, Terrence O'Brien, Dean Tantillo, Justin B, Siegel: "Hybrid Quantum Mechanics/Rosetta Modeling Mechanistic Study of a Terpene Synthase." Conference abstract published in Biophys. J. 2020, 118 (Issue 3, Supplement 1), 304a.
+ (217) Alexander J. Staat, Arturo L. Sandoval, Carla M. Saunders and Dean J. Tantillo: "Use of Computational NMR to Structurally Determine Oleuropein Aglycones." Lecture presented by Alex Staat at the 2018 Richard Larock Undergraduate Research Symposium, UC Davis, Davis, CA, May 19, 2018.
+ (216) Arturo L. Sandoval, Alexander J. Staat, Carla M. Saunders and Dean J. Tantillo: "Conformational Study of Oleuropein Aglycone Isomers." Lecture presented by Arturo Sandoval at the 2018 Richard Larock Undergraduate Research Symposium, UC Davis, Davis, CA, May 19, 2018.
+ (215) Arturo Leon Sandoval, Alex Staat, Carla Saunders, Selina Wang and Dean J. Tantillo: "Structural Assignment of Oleuropein Aglycone Using Computational NMR." Poster presented by Arturo Sandoval at the 29th Annual Undergraduate Research, Scholarship & Creative Activities Conference, UC Davis, Davis, CA, April 27, 2018.
+ (214) Sarah Dutton, Christina McCulley and Dean J. Tantillo: "All that Glitters is Gold: Modeling Catalysis of Hydride Shifts." Poster presented by Sadie Dutton at the 2018 Spring Student Symposium, Middlebury College, Middlebury, VT, April 20, 2018.
+ (213) Christina H. McCulley, Michael J. Geier, Brandi M. Hudson, Michel R. Gagne and Dean J. Tantillo: "A Mechanistic Examination of the Influence of Alkene Substitution on Rates of Biomimetic Platinum-Promoted Polyene Polycyclizations." Poster presented by Nina McCulley at the 2018 R. Bryan Miller Symposium, University of California, Davis, CA, March 15-16, 2018.
+ (212) Innes Tsui, Harjeet Soor, Diego Diaz, Andrei Yudin and Dean J. Tantillo: "Mechanistic Investigation on Boron-Mediated Intramolecular Lactam Formation." Poster presented by Innes Tsui at the 2018 R. Bryan Miller Symposium, University of California, Davis, CA, March 15-16, 2018.
+ (211) Carla M. Saunders, Mohammad B. Khaled, Jimmie D. Weaver and Dean J. Tantillo: "Preparation and Utility of 19F Scaling Factors for Fluorinated Aromatic Compounds." Poster presented by Carla Saunders at the 2018 R. Bryan Miller Symposium, University of California, Davis, CA, March 15-16, 2018.
+ (210) Stephanie Hare: "Investigations of a Post-Transition State Bifurcation-Containing Pummerer-Like Rearrangement." Lecture presented by Stephanie Hare at the UCD Computational Chemistry Joint Group Meeting, UC Davis, Davis, CA, March 14, 2018.
+ (209) Nina McCulley: "When Computational Organic Chemistry Meets Synthetic Organic Chemistry." Invited lecture presented by Nina McCulley at CSU, Chico, CA, January 26, 2018.
-2017-
+ (208) Henry Wedler and Dean J. Tantillo: "The Art and Science of Universal Accessibility." Invited lecture presented by Hoby Wedler at the Joliot Curie Conference (associated with the RSC Diversity & Inclusion Prize), Bath, UK, September 5, 2017.
+ (207) Marta Castineira Reis, O. Nieto Faza, Carlos Silva Lopez and Dean J. Tantillo: "Exploring the Limits of Concertedness: An Orchestra of Terpenoid Carbocations." Lecture presented by Marta Castineira Reis at the XXXVI Reunion Bienal de la Real Sociedad Espanola de Quimica, Sitges, Spain, June 25-29, 2017.
# (206) Rodrigo Mendoza-Sanchez, Victoria Corless, Nhu Nguyen, Dean Tantillo and Andrei Yudin: "Synthesis of Medium-Sized Rings and Cyclic Tripeptides through Ring Expansion of Amino-imides." Lecture presented by Victoria Corless at the 253rd American Chemical Society National Meeting, San Francisco, CA, April 2-6, 2017.
# (205) Stephen W. Laws, Lucas C. Moore, Michael J. Di Maso, Q. Nhu N. Nguyen, Dean J. Tantillo and Jared T. Shaw: "Catalytic Formal [4+2] Reactions of Imines and Cyclic Anhydrides for the Stereoselective Synthesis of Lactams." Poster presented by Stephen Laws at the 2017 R. Bryan Miller Symposium, University of California, Davis, CA, March 16-17, 2017.
+ (204) Carla Saunders and Dean J. Tantillo: "Recent Progress in Computational NMR." Poster presented by Carla Saunders at the 2017 R. Bryan Miller Symposium, University of California, Davis, CA, March 16-17, 2017.
+ (203) Nina McCulley and Dean J. Tantillo: "A Mechanistic Examination of the Influence of Alkene Substitution on Rates of Biomimetic Patinum-Promoted Polycyclizations." Poster presented by Nina McCulley at the 2017 R. Bryan Miller Symposium, University of California, Davis, CA, March 16-17, 2017.
+ (202) Stephanie Hare and Dean J. Tantillo: "Control Factors in Reactions Containing Post-Transition State Bifurcations." Poster presented by Stephanie Hare at the 2017 R. Bryan Miller Symposium, University of California, Davis, CA, March 16-17, 2017.
+ (201) Nicholas Jentsch, Matthew Donahue, and Dean J. Tantillo: "DFT Investigation of Mechanistic Pathways of theVinyl S-Oxide Heteroallene Rearrangement." Lecture presented by Nicholas Jentsch at the 81st Annual Mississippi Academy of Sciences Meeting, Hattiesburg, MS, February 23-24, 2017.
-2016-
+ (200) Stephanie Hare and Dean J. Tantillo: "Intramolecular C-H Insertions of Rh-Carbenoids: Consequences of Post-Transition State Bifurcations." Poster presented by Stephanie Hare at the 2016 R. Bryan Miller Symposium, University of California, Davis, CA, April 7-8, 2016.
+ (199) Nhu Nguyen and Dean J. Tantillo: "Sliding from Zwitterionic Transition State into Diradical Intermediate Well." Poster presented by Nhu Nguyen at the 2016 R. Bryan Miller Symposium, University of California, Davis, CA, April 7-8, 2016.
# (198) Christopher L. Bianco, Josh Salem, Tyler A. Chavez, Victor Sosa, Q. Nhu N. Nguyen, Dean J. Tantillo, Jon M.Fukuto and John P. Toscano: "Investigating the Redox Chemistry of Perthiyl Radicals: An Implication of their Biological Functions." Poster presented by Chris Bianco at the 2016 R. Bryan Miller Symposium, University of California, Davis, CA, April 7-8, 2016.
+ (197) Terrence E. O'Brien, Steve J. Bertolani, Dean J. Tantillo and Justin B. Siegel: "Development of a Computational Model for Terpene Cyclases Providing Mechanistic Insights and Frameworks for Rational Enzyme Design." Poster presented by Terry O'Brien at the 2016 R. Bryan Miller Symposium, University of California, Davis, CA, April 7-8, 2016.
+ (196) Renan Borsoi Campos and Dean J. Tantillo: "The Formation of 2-quinuclidone: Mechanistic Elucidation and an Attempt to Model a Bifurcation Reaction." Poster presented by Renan Campos at the 2016 R. Bryan Miller Symposium, University of California, Davis, CA, April 7-8, 2016.
+ (195) Stephanie Hare and Dean J. Tantillo: "Rh-Catalyzed C-H Insertion: Consequences of Post-Transition State Bifurcations." Poster presented by Stephanie Hare at the 1st Annual University of California Symposium for the Chemical Sciences, UCLA Lake Arrowhead Conference Center, CA, March 21-23, 2016.
+ (194) Ryan Pemberton, Dennis Hu, Noah Burns and Dean J. Tantillo: "Catalytic, Enantioselective Dibromination of Allylic Alcohols: A Computational Perspective." Lecture presented by Ryan Pemberton at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (193) Henry Wedler, Teresa Palazzo, Ryan Pemberton, Christian Hamann, Mark Kurth and Dean J. Tantillo: "Blind and Visually Impaired-Accessible Investigation of Hydration Propensities of Biologically Relevant apha-Ketoamides." Poster presented by Hoby Wedler and Chris Hamann at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (192) Stephanie Hare and Dean J. Tantillo: "Rh-Catalyzed C-H Insertion: Consequences of Post-Transition State Bifurcations." Poster presented by Stephanie Hare at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (191) Jordan Zehr, Dean J. Tantillo and Christian Hamann: "Progress Toward a Conformational Database for Sesquiterpene Reaction Pathways." Poster presented by Jordan Zehr and Chris Hamann at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (190) Stephanie Hare and Dean J. Tantillo: "Effects of Non-Covalent Interactions on Post-Transition State Bifurcations." Lecture presented by Stephanie Hare at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (189) Brandi Hudson, Mikail Abbasov, Daniel Romo and Dean J. Tantillo: "Theoretical Insights into the Mechanism and Selectivity of the Diels-Alder/Lactonization (DAL) Organocascade Catalyzed by a Chiral Isothiourea." Lecture presented by Brandi Hudson at the 251st American Chemical Society National Meeting, San Diego, CA, March 13-20, 2016.
+ (188) Teresa Palazzo and Bronwyn Harrod: "Assigning the Structure of Sibongilene: A Diterpene Along the Pathway to Pseudolaric Acid." Lecture presented by Teresa Palazzo and Bronwin Harrod at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, March 2, 2016.
-2015-
+ (187) Brandi M. Hudson, Romain Ramozzi, Chamil Sameera, Keiji Morokuma and Dean J. Tantillo: "Using the Global Reaction Route Mapping Strategy to Explore Methylation Effects on Carbocation Precursors to Terpenes." Poster presented by Brandi Hudson at Pacifichem (The International Chemical Congress of Pacific Basin Societies) 2015, Honolulu, HI, December 18, 2015.
+ (186) Henry Wedler: "Using Computers to Answer Chemical Questions." Invited lecture presented by Hoby Wedler at Sonoma State University, Cotati, California, November 20, 2015.
+ (185) Teresa A. Palazzo, Sibongile Mafu, Bronwyn Harrod, Dean Tantillo and Philipp Zerbe: "Assigning the Structure of Sibongilene: A Pseudolaric Acid Precursor." Lecture presented by Teresa Palazzo at the 2015 American Chemical Society Western Regional Meeting, California State University, San Marcos, CA, November 11, 2015.
+ (184) Christina McCulley, Joel Garcia, Dean Tantillo and Angelique Louie: "An Examination of the Spiropyran Molecular Switches." Poster presented by Nina McCulley at the 2015 UC Davis Chemical Biology Program Retreat, UC Davis, Davis, CA, September 11, 2015.
+ (183) Terrence E. O'Brien, Steve Bertolani, Justin B. Siegel and Dean J. Tantillo: "A Computational Model of a Terpene Cyclase for Mechanistic Understanding." Poster presented by Terry O'Brien at the 2015 Novozymes Technology Conference, UC Davis, Davis, CA, September 1, 2015.
+ (182) Christian S. Hamann, Michael W. Lodewyk and Dean J. Tantillo: "The First Cyclization of Sesquiterpene Cations Is as (E)-(Z) as That." Lecture presented by Chris Hamann at the 250th American Chemical Society National Meeting, Boston, MA, August 16-20, 2015.
+ (181) Terrence E. O'Brien: "A Computational Model of a Terpene Cyclase for Mechanistic Understanding." Lecture presented by Terry O'Brien at RosettaCON 2015, Leavenworth, WA, July 29-August 1, 2015.
# (180) Guido F. Pauli, J. Brent Friesen, Matthia Niemitz, Jonathan Bisson, David C. Larkin, Cristian Soldi, Jared T. Shaw, Dean J. Tantillo, Shao-Nong Chen and James B. McAlpine: "Dissemination of Original NMR Data Enhances the Reproducibility of Natural Product Research." Poster presented by Guido Pauli at the 2015 Annual Meeting of the American Society of Pharmacognosy, Copper Mountain, CO, July 25-29, 2015.
+ (179) Christian S. Hamann, Michael W. Lodewyk and Dean J. Tantillo: "The Price of Admission: Exploring the Transition from Straight Chain to First Cycle in Sesquiterpene Biosynthesis Using Quantum Chemical Calculations." Poster presented by Chris Hamann at TERPNET 2015, University of British Columbia, Vancouver, CA, June 3, 2015.
+ (178) Terrence E. O'Brien, Steve Bertolani, Justin B. Siegel and Dean J. Tantillo: "A Computational Model of a Terpene Cyclase for Mechanistic Understanding." Poster presented by Terry O'Brien at TERPNET 2015, University of British Columbia, Vancouver, CA, June 3, 2015.
+ (177) Ryan P. Pemberton and Dean J. Tantillo: "Direct Dynamics Simulations of Steroidal Ring-Closing Events." Lecture presented by Ryan Pemberton at the 249th American Chemical Society National Meeting, Denver, CO, March 22-26, 2015.
+ (176) Brandi M. Hudson, Hoby Wedler, Ryan Van Hoveln, Desiree Bates, Dean J. Tantillo and Jennifer M. Schomaker: "Computational Mechanistic Investigation of a Cu(I)-catalyzed 1,3-Halogen Migration." Lecture presented by Brandi Hudson at the 249th American Chemical Society National Meeting, Denver, CO, March 22-26, 2015.
+ (175) Christian S. Hamann and Dean J. Tantillo: "Exploring the Conformational Isomerization of the Humulyl Cation Using Computational Methods." Lecture presented by Chris Hamann at the 249th American Chemical Society National Meeting, Denver, CO, March 22-26, 2015.
+ (174) Christian S. Hamann, Michael W. Lodewyk and Dean J. Tantillo: "The Price of Admission: Exploring the Transition from Straight-Chain to First Ring in Sesquiterpene Biosynthesis." Poster presented by Chris Hamann at the 249th American Chemical Society National Meeting, Denver, CO, March 22-26, 2015.
+ (173) Trevor A. Hamlin, Christian S. Hamann and Dean J. Tantillo: "Using Borane, Ammonium and Methylene Substitution to Characterize Stabilizing Features of a Macrocyclic Sesquiterpene Cation." Poster presented by Chris Hamann at the 249th American Chemical Society National Meeting, Denver, CO, March 22-26, 2015.
+ (172) Brandi M. Hudson, Hoby Wedler, Ryan Van Hoveln, Desiree M. Bates, Jennifer Schomaker and Dean J. Tantillo: "Copper(I)-Catalyzed 1,3-Halogen Migration." Poster presented by Brandi Hudson at the 2015 R. Bryan Miller Symposium, University of California, Davis, CA, March 5-6, 2015.
+ (171) Nhu Nguyen, Michael W. Lodewyk, Silvia Bezer, Michel R. Gagne, Marcey L. Waters and Dean J. Tantillo: "The Role of Macrodipoles in alpha-Helical Peptide Catalysts." Poster presented by Nhu Nguyen at the 2015 R. Bryan Miller Symposium, University of California, Davis, CA, March 5-6, 2015.
+ (170) Stephanie Hare, Dina Merrer and Dean J. Tantillo: "Computational Investigation of Chlorocarbene Additions to Carbene-anti-Bredt Systems." Poster presented by Stephanie Hare at the 2015 R. Bryan Miller Symposium, University of California, Davis, CA, March 5-6, 2015.
-2014-
+ (169) Henry B. Wedler, Ryan P. Pemberton, Selina C. Wang and Dean J. Tantillo: "Isomerization of Cycloartenol: An Indicator of Thermally-Treated Olive Oil." Lecture presented by Hoby Wedler at the 248th American Chemical Society National Meeting, San Francisco, CA, August 13, 2014.
+ (168) Emma T. Mack, Brandi M. Hudson and Dean J. Tantillo: "Characterization of 1,2,4-Thiadiazole Alkaloids Containing Sulfur---Lone Pair Interactions." Lecture presented by Emma Mack at the 248th American Chemical Society National Meeting, San Francisco, CA, August 13, 2014.
# (167) Keith C. Coffman, Huy H. Nguyen, Puay-Wah Phuan, Gui. J. Yu., Alex L. Bagdasarian, Deanna Montgomery, Michael W. Lodewyk, Brandi M. Hudson, Baoxue Yang, Choong L. Yu, Alan S. Verkman, Dean J. Tantillo and Mark J. Kurth: "Constrained Cyclooctathiazolothiazoles: Small Molecule Probes to Correct Defective (delta)F508-CFTR Protein Misfolding and Trafficking." Lecture presented by Keith Coffman at the 248th American Chemical Society National Meeting, San Francisco, CA, August 13, 2014.
+ (166) Stephanie R. Hare, Phil Painter, Hoby Wedler, Dean J. Tantillo, Jeremy May and Santa Jansone-Popova: "Computational Studies of C-H Insertion into Substituted [2.2.2]-Bicyclooctane Catalyzed by Rh2(esp)2." Poster presented by Stephanie Hare at the 248th American Chemical Society National Meeting, San Francisco, CA, August 12, 2014.
+ (165) Ryan P. Pemberton and Dean J. Tantillo: "Consequences of Preorganizing Homobisabolyl Cation Conformers for epi-Isozizaene Biosynthesis." Lecture presented by Ryan Pemberton at the 248th American Chemical Society National Meeting, San Francisco, CA, August 12, 2014.
+ (164) Teresa A. Palazzo, Joung S. Yang, Aaron Roth, Dean J. Tantillo and Mark J. Kurth: "Methodology Affording Dibenzonapthyridinones: An Experimental and Computational Study." Lecture presented by Teresa Palazzo at the 248th American Chemical Society National Meeting, San Francisco, CA, August 12, 2014.
+ (163) Keith C. Coffman, Huy H. Nguyen, Puay-Wah Phuan, Gui. J. Yu., Alex L. Bagdasarian, Deanna Montgomery, Michael W. Lodewyk, Baoxue Yang, Choong L. Yu, Alan S. Verkman, Dean J. Tantillo and Mark J. Kurth: "Constrained Bithiazoles as Correctors for the (delta)F508 Cystic Fibrosis Transmembrane Conductance Regulator Gene." Poster presented by Keith Coffman at the 248th American Chemical Society National Meeting, San Francisco, CA, August 12, 2014.
+ (162) Kate A. Gibson, Teresa A. Palazzo and Dean J. Tantillo: "Computational Study of Counterion Effects on NMR Chemical Shifts of Strychnine." Poster presented by Kate Gibson and Teresa Palazzo at the 248th American Chemical Society National Meeting, San Francisco, CA, August 12, 2014.
+ (161) Henry Wedler, Dean J. Tantillo and Julian Shaw: "Importance of Complete Accessibility and Independence in the Laboratory." Lecture presented by Hoby Wedler at the 248th American Chemical Society National Meeting, San Francisco, CA, August 11, 2014.
+ (160) Tiana T. Truong, Shirley M. T. Wong, Vicky Sio, Teresa Palazzo and Dean J. Tantillo: "Natural Bond Orbital Analysis: The Happiest Molecule." Poster presented by Teresa Palazzo, Tiana Truong and Shirley Wong at the 248th American Chemical Society National Meeting, San Francisco, CA, August 11, 2014.
+ (159) Teresa A. Palazzo, Tiana T. Truong, Shirley M. T. Wong, Emma T. Mack, Michael W. Lodewyk, Jason G. Harrison, Mark J. Kurth and Dean J. Tantillo: "Reassigning the Structures of Natural Products Using NMR Chemical Shifts Computed with Quantum Mechanics: A Laboratory Exercise." Poster presented by Teresa Palazzo, Tiana Truong and Shirley Wong at the 248th American Chemical Society National Meeting, San Francisco, CA, August 10, 2014.
+ (158) Nhu N. Nguyen and Dean J. Tantillo: "Computational Study on the Effect of Dipole Moment of alpha-Helical Peptide as Catalysts for Ester Hydrolysis." Lecture presented by Nhu Nguyen at the 248th American Chemical Society National Meeting, San Francisco, CA, August 10, 2014.
+ (157) Henry Wedler: "A Completely Accessible Computational Chemistry Project from Start to Finish: Cycloartenol and 3-Dimensional Printing with Braille." Lecture presented by Hoby Wedler to the Division of Science and Engineering of the National Federation of the Blind, Orlando, Fl, July 3, 2014.
+ (156) Henry Wedler: "How Blind Students Can Get Involved with Science: An Update on Graduate Research and Accessible Science." Lecture presented by Hoby Wedler to the National Association of Blind Students of the National Federation of the Blind, Orlando, Fl, July 3, 2014.
# (155) Diana Yu, Sidney M. Wilkerson-Hill, Phil Painter, Richmond Sarpong, Dean J. Tantillo and Jason E. Hein: "Deeper Insight Using Sequential Reaction Analysis in Flow." Poster and associated lecture presented by Jason Hein at the 35th Annual Reaction Mechanisms Conference, UC Davis, Davis, CA, June 22-25, 2014.
# (154) R.J. Van Hoveln, S.C. Schmid, G. LeGros, B.M. Hudson, H.B. Wedler, D.J. Tantillo and J.M. Schomaker: "Cu(I)-catalyzed 1,3-Halogen Migration Reactions: Synthetic Utility and Mechanistic Insights." Poster and associated lecture presented by Jen Schomaker at the 35th Annual Reaction Mechanisms Conference, UC Davis, Davis, CA, June 22-25, 2014.
+ (153) Ryan P. Pemberton and Dean J. Tantillo: "A Tail of Many Cations from the Bisabolyl to the Zizyl: Formation of epi-Isozizaene via epi-Isozizaene Synthase." Poster presented by Ryan Pemberton at the 35th Annual Reaction Mechanisms Conference, UC Davis, Davis, CA, June 22-25, 2014.
+ (152) Henry Wedler, Ryan Pemberton, Selina Wang and Dean J. Tantillo: "Isomerization of Cycloartanol - An Indicator of Thermally-Treated Olive Oil." Poster presented by Hoby Wedler at the 35th Annual Reaction Mechanisms Conference, UC Davis, Davis, CA, June 22-25, 2014.
+ (151) Brandi M. Hudson, Romain Ramozzi, Chamil Sameera, Dean J. Tantillo, Keiji Morokuma: "Predciting Methylation Effects on Terpene-forming Pathways - Natural Products from Plants." Poster presented by Brandi Hudson at the Japan Society for the Promotion of Science Program 2014 Poster Session, Hayama, Kanagawa, Japan, June 13, 2014.
+ (150) Kate A. Gibson: "Computational Study of Counterion Effects on NMR Chemical Shifts of Strychnine." Lecture presented by Kate Gibson at the 2014 Richard Larock Undergraduate Research Conference, UC Davis, Davis, CA, May 17, 2014.
+ (149) Brandi M. Hudson: "Sulfur---Lone Pair Interaction: A Non-Covalent, Conformation Directing Interaction Found in Drugs, Natural Products, and a Catalyst." Lecture presented by Brandi Hudson at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, May 7, 2014.
+ (148) Kate A. Gibson; Teresa A. Palazzo and Dean J. Tantillo: "Computational Study of Counterion Effects on NMR Chemical Shifts of Strychnine." Poster presented by Kate Gibson at the 25th Annual Undergraduate Research, Scholarship & Creative Activities Conference, UC Davis, Davis, CA, April 25, 2014.
+ (147) Henry Wedler, Teresa Palazzo, Ryan P. Pemberton, Christian Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Ketoamides." Lecture presented by Hoby Wedler at the 247th ACS National Meeting, Dallas, TX, March 16-20, 2014.
+ (146) Emma T. Mack, Brandi H. Hudson and Dean J. Tantillo: "Quantifying the Nature of Sulfur---Lone Pair Interactions." Lecture presented by Emma Mack at the 247th ACS National Meeting, Dallas, TX, March 16-20, 2014.
+ (145) Henry B. Wedler, Ryan P. Pemberton, Selina C. Wang and Dean J. Tantillo: "Isomerization of Cycloartenol: An Indicator of Thermally-Treated Olive Oil." Poster presented by Hoby Wedler at the 2014 R. Bryan Miller Symposium, University of California, Davis, CA, March 13-14, 2014.
+ (144) Q. Nhu N. Nguyen and Dean J. Tantillo: "Hydration Propensities of Biologically Relevant alpha-Ketoamides." Poster presented by Nhu Nguyen at the 2014 R. Bryan Miller Symposium, University of California, Davis, CA, March 13-14, 2014.
+ (143) Ryan P. Pemberton and Dean J. Tantillo: " Diphosphoric Acid Catalysts for the Synthesis of Terpenes." Poster presented by Ryan Pemberton at the 2014 R. Bryan Miller Symposium, University of California, Davis, CA, March 13-14, 2014.
+ (142) Ryan P. Pemberton and Dean J. Tantillo: "Probing Diphosphoric Acid Catalysts for the Synthesis of Terpenes." Poster presented by Ryan Pemberton at the Bradford Borge Weekend, University of California, Davis, CA, February 19-20, 2014.
-2013-
+ (141) Gabriella M. Nepomuceno, David E. Anderson, Clarissa Tadeus, Qian Wang, Phillip P. Painter, Katie M. Chan, Terrence E. O'Brien, Francisco J. Sarabia, Dean J. Tantillo, James B. Ames, Carlito Lebrilla and Jared T. Shaw: "Binding site elucidation of a small molecule inhibitor of FtsZ." Poster presented by Gabby Nepomuceno at the 44th15th Brazilian Meeting on Organic Synthesis, Campos do Jordao, Sao Paulo, Brazil, November 10-13, 2013.
+ (140) Emma T. Mack, Brandi H. Hudson and Dean J. Tantillo: "Quantifying the Nature of Sulfur---Lone Pair Interactions." Poster presented by Emma Mack at the 2013 Oesper Symposium, University of Cincinnati, Cincinnati, OH, October 25, 2013.
+ (139) Emma T. Mack, Brandi H. Hudson and Dean J. Tantillo: "Quantifying the Nature of Sulfur---Lone Pair Interactions." Poster presented by Emma Mack at the 2013 Greater Cincinnati Association for Women in Science Undergraduate Poster Symposium, University of Cincinnati Medical School, Cincinnati, OH, October 25, 2013.
+ (138) Ryan Pemberton and Dean J. Tantillo: "Probing Terpene Enzymatic Functionality and the Inherent Dynamical Preferences in Carbocation Rearrangements." Lecture presented by Ryan Pemberton at the 44th ACS Western Regional Meeting, Santa Clara, CA, October 3-6, 2013.
+ (137) Teresa A. Palazzo, Joung S. Yang, Dean J. Tantillo and Mark J. Kurth: "Heterocycle to Heterocycle Strategies: Isoxazoles and Oxadiazoles as Branch Points towards Skeletally Diverse Fluorescent Small Molecules." Poster presented by Teresa Palazzo at the 44th ACS Western Regional Meeting, Santa Clara, CA, October 3-6, 2013.
+ (136) Emma T. Mack, Brandi H. Hudson and Dean J. Tantillo: "Quantifying the Nature of Sulfur---Lone Pair Interactions." Poster presented by Emma Mack at the 2013 Summer REU Poster Session, UC Davis, Davis, CA, August 16, 2013.
+ (135) Jason G. Harrison and Dean J. Tantillo: "The Sigma Energy Decomposition Analysis Scheme (SEDA): Description and Case Study of Indole Synthesis." Poster presented by Jason Harrison at the National Organic Symposium, Seattle, WA, June 23-27, 2013.
+ (134) Brandi M. Hudson and Dean J. Tantillo: "The Attraction of Lone Pairs to Sulfur Atoms: Origins and Consequences." Poster presented by Brandi Hudson at the National Organic Symposium, Seattle, WA, June 23-27, 2013.
+ (133) Henry Wedler: "Making Chemistry Accessible One Atom at a Time: Advocacy, Demonstrations, Discussion, and how Blind People may have a Chemical Advantage." Lecture presented by Hoby Wedler at the Texas Association of Blind Students annual conference, Austin, Texas, April 5, 2013.
+ (132) Ryan P. Pemberton and Dean J. Tantillo: "Inherent Dynamical Effects in Terpene Natural Product Formation." Poster presented by Ryan Pemberton at the 2013 R. Bryan Miller Symposium, University of California, Davis, CA, March 7-8, 2013.
+ (131) Brandi M. Hudson, Jason G. Harrison and Dean J. Tantillo: "Computational Investigation of Possible Biosynthetic Pathways to Calophyline A." Poster presented by Brandi Hudson at the 2013 R. Bryan Miller Symposium, University of California, Davis, CA, March 7-8, 2013.
+ (130) Teresa A. Palazzo, Mark J. Kurth and Dean J. Tantillo: "Heterocycle-Heterocycle Strategies:
Isoxazoles as a Route to 4-Aminoquinolines, 3-Acyl-1H-indoles, 4-Quinolinones, and Dibenzonapthyridinones." Poster presented by Teresa Palazzo at the 2013 R.
Bryan Miller Symposium, University of California,
Davis, CA, March 7-8, 2013.
+ (129) Henry B. Wedler, Christian S. Hamann and Dean J. Tantillo: "Hydration Propensities of Biologically Relevant alpha-Ketoamides." Poster presented by Hoby Wedler at the 2013 R. Bryan Miller Symposium, University of California, Davis, CA, March 7-8, 2013.
+ (128) Ryan P. Pemberton and Dean J. Tantillo: "Inherent Dynamical Effects in Terpene Natural Product Formation." Poster presented by Ryan Pemberton at the Bradford Borge Weekend, University of California, Davis, CA, February 15-16, 2013.
+ (127) Brandi M. Hudson, Jason G. Harrison and Dean J. Tantillo: "Computational Investigation of Possible Biosynthetic Pathways to Calophyline A." Poster presented by Brandi Hudson at the Bradford Borge Weekend, University of California, Davis, CA, February 15-16, 2013.
+ (126) Lin, I. (high school student); Tucker, J.; Pemberton, R.; Tantillo, D. J.; Chin, S.; Wang, S. J. Experimental Secondary Sci. 2013, 2, 25-29: "Computer Design of Novel Pesticides Against the Olive Fruit Fly"
+ (125) Young J. Hong: "Hint of the Enzymatic Intervention in the Terpene Biosynthesis: Redundant Chemical Events in Carbocationic Reaction Cascades." Lecture presented by Young Hong at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, January 30, 2013.
-2012-
+ (124) Henry Wedler: "Chemistry by Feel: Showing Sighted Chemists how Temporary Blindness may be Advantageous." Lecture presented by Hoby Wedler at at Credo High School, Rohnert Park, California, December 6, 2012.
+ (123) Henry Wedler: "From High School to Graduate School: One Blind Chemistry Student’s Perspective." Lecture presented by Hoby Wedler at Sonoma State University, Cotati, California, October 29, 2012.
+ (122) Henry Wedler: "Making Chemistry Accessible to All." Lecture presented by Hoby Wedler at the National Federation of the Blind of California Annual Convention Los Angeles, California, October 15, 2012.
+ (121) Henry Wedler and Dean J. Tantillo: "Breaking Down Barriers of High Expectations for Americans with Disabilities." Lecture presented by Hoby Wedler at the UC Davis Disability Awareness Symposium, Davis, California, October 9, 2012.
+ (120) Michael W. Lodewyk: "Quantum Mechanical Approaches to Chemical Shift Prediction." Invited
lecture presented at "Small Molecules Are Still Hot (SMASH) NMR" conference, Providence, RI, September 9-12, 2012.
+ (119) Jason G. Harrison: "Selective Sigmatropic Shifts in Substituted Indoles." Lecture presented by Jason Harrison at the 2nd Conference of Computational Interdisciplinary Sciences (CCIS), Guanajuato, Mexico, July 31, 2012.
+ (118) Jason G. Harrison: "Research in Wanderlust: From Exotic Carbon Frameworks to Blind Chemistry." Lecture presented by Jason Harrison at Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional (CINESTAV), Merida, Mexico, July 26, 2012.
+ (117) Henry Wedler: "Making Chemistry Accessible One Atom at a Time." Lecture presented by Hoby Wedler at the National Federation of the Blind’s National Convention, Orlando, Florida, July 6, 2013.
+ (116) Henry Wedler: "From Infancy to Graduate School: One Blind Man's Story." Lecture presented by Hoby Wedler at the Blind Babies Foundation Annual Graduation and Fundraiser at Guide Dogs for the Blind, San Rafael, California, June 24, 2012.
+ (115) Henry Wedler: "Making Chemistry Accessible to All." Lecture presented by Hoby Wedler at the White House, Washington, DC, May 7, 2012.
+ (114) Walter Y. Lam (sponsored by Dean J. Tantillo): "Using Human AGO2 in Conjuction with Docking Software and Analogs to Further Explore RNA Interferece." Lecture presented by Walter Lam at the 23rd Annual Conference on Undergraduate Research, Scholarship and Creative Activities, UC Davis, Davis, CA, April 28, 2012.
+ (113) Stephanie Mac (sponsored by Dean J. Tantillo): "Using Traditional Drug Design Programs to Develop a Method for Examining the Stability of Modified Bases in RNA." Lecture presented by Stephanie Mac at the 23rd Annual Conference on Undergraduate Research, Scholarship and Creative Activities, UC Davis, Davis, CA, April 28, 2012.
+ (112) Diana Ly (sponsored by Dean J. Tantillo): "Theoretical Study of RNA toward Computational Docking." Lecture presented by Diana Ly at the 23rd Annual Conference on Undergraduate Research, Scholarship and Creative Activities, UC Davis, Davis, CA, April 28, 2012.
+ (111) Henry Wedler: "Being Blind in a Sighted World: Why Equality and High Social Expectations are Indispensable." Lecture presented by Hoby Wedler at UC Davis' Delta Gamma sorority, Davis, CA, April 23, 2012.
+ (110) Henry Wedler: "Making Chemistry Accessible One Atom at a Time: Advocacy, Demonstrations, Discussion, and how Blind People May Have a Chemical Advantage." Lecture presented by Hoby Wedler to the Texas student division of the National Federation of the Blind, San Antonio, TX, April 15, 2012.
+ (109) Henry Wedler: "Being Blind in a Sighted World: Why Equality and High Social Expectations are Indispensable." Lecture presented by Hoby Wedler at Santa Rosa Junior College, Santa Rosa, CA, March 30, 2012.
+ (108) Jason G. Harrison: "Toward Efficient Prediction of New Nucleobases for siRNA Therapeutics." Lecture presented by Jason Harrison at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, January 11, 2012.
-2011-
+ (107) Jason G. Harrison, Tom G. Driver and Dean J. Tantillo: "Computational Exploration of Proposed [1,5] Sigmatropic Shift of EWGs in Selective Indole Synthesis." Poster presented by Jason Harrison at the Quitel 2011 Conference (XXXVII Congress of Theoretical Chemists of Latin Expression), Riviera Maya, Mexico, December 4-9, 2011.
+ (106) Michael W. Lodewyk: "Quantum Chemistry to Predict NMR Chemical Shifts." Invited lecture presented to the Agricultural and Environmental Chemistry Graduate Group at the University of California, Davis, CA, November 28, 2011.
+ (105) Henry Wedler: "From High School to Graduate School: One Blind Chemistry Student’s Perspective." Lecture presented by Hoby Wedler at Sonoma State University, Coati, CA, November 14, 2011.
+ (104) Henry Wedler: "National Federation of the Blind Philosophy: How the National Federation of the Blind has Helped Me Achieve My Goals." Lecture presented by Hoby Wedler at the National Federation of the Blind of California Annual Convention, Newark, CA, October 16, 2011.
+ (103) Henry Wedler: "Instructing Chemistry at the National Federation of the Blind Youth Slam: A Brief Description of Activities and What Students Came Away With." Lecture presented by Hoby Wedler at the National Federation of the Blind of California Annual Convention, Newark, CA, October 15, 2011.
+ (102) Henry Wedler: "Chemistry Camp Panel: Several People’s Perspectives on Chemistry Camp and What they Learned." Panel discussion led by Hoby Wedler at the general session of the National Federation of the Blind of California Annual Convention, Newark, CA, October 15, 2011.
+ (101) Henry Wedler: "California Chemistry Camp: Showing Blind Students that Visual Impairment Shouldn’t Stop them From Studying Visual Subjects." Lecture presented by Hoby Wedler at the California Association of Blind Students Annual Seminar, Newark, CA, October 14, 2011.
+ (100) Young J. Hong: "Quantum Chemistry, Computation and Terpene Natural Products: Reaction Mechanism of Carbocation Cascades and Assignment of Stereochemistry/Structure." Invited lecture presented to the Agricultural and Environmental Chemistry Graduate Group at the University of California, Davis, CA, September 26, 2011.
+ (99) Henry Wedler: "Making All Avenues of School Successful: How Learning Allied Made Chemistry Accessible to a Blind Person." Lecture presented by Hoby Wedler at the Learning Allied Northern California Division Volunteer Party, Palo Alto, CA, September 10, 2011.
+ (98) Osvaldo Gutierrez, Regan J. Thomson and Dean J. Tantillo: "Computational Study and Development of Enantioselective Acid Catalyzed [3,3]-Sigmatropic Rearrangement of N-Allylhydrazones." Poster presented by Osvaldo Gutierrez at the 2011 Gordon Conference on Physical Organic Chemistry, Holderness School, Holderness, NH, June 26-July 1, 2011.
+ (97) Henry Wedler: "Moving Forward: Making a Computational/Theoretical Chemistry Laboratory Accessible to the Blind." Lecture presented by Hoby Wedler at the 2011 Richard Larock Undergraduate Research Conference, UC Davis, Davis, CA, May 14, 2011.
+ (96) Henry Wedler, Jason G. Harrison, Rebecca Davis, Sarah Cohen, Christian Hamann, Matthew R. Siebert, Jared Shaw, and Dean J. Tantillo: "Moving Forward: Making a Computational/Theoretical Chemistry Laboratory Accessible to the Blind." Lecture presented by Hoby Wedler at the 241st ACS National Meeting, Anaheim, CA, March 27-31, 2011; paper CHED 1468.
+ (95) Michael W. Lodewyk: "Fun with Theoretical Organic Chemistry." Invited lecture presented by Mike Lodewyk at Shasta Community College, Redding, CA, March 18, 2011.
+ (94) Nohemy A. Sorto, Phillip Painter, Dean J. Tantillo and Jared T. Shaw: "Synthesis of Potential Bacterial Cell Division Modulators." Poster presented by Nohemy Sorto and Phil Painter at the R. Bryan Miller Symposium, UC Davis, Davis, CA, March 3-4, 2011.
+ (93) Henry Wedler: "How Knowing Braille Led to a Chemistry Degree: The Importance of Braille for One Blind Student’s Life." Lecture presented by Hoby Wedler at the Annual Northern California Regional Competition of the National Braille Challenge, Lighthouse for the Blind of San Francisco, San Francisco, CA, February 26, 2011.
+ (92) Nohemy A. Sorto, Phillip Painter, Dean J. Tantillo and Jared T. Shaw: "Synthesis of Potential Bacterial Cell Division Modulators." Poster presented by Nohemy Sorto and Phil Painter at the Bradford Borge Weekend, University of California, Davis, CA, February 18-19, 2011.
+ (91) Osvaldo Gutierrez and Dean J. Tantillo: "Engineering an Orbital Forbidden [3s,5s]-Sigmatropic Shift through Palladium(II) Promoted Transition State Complexation." Poster presented by Osvaldo Gutierrez at the Bradford Borge Weekend, University of California, Davis, CA, February 18-19, 2011.
+ (90) Jason G. Harrison and Dean J. Tantillo: "Theoretical Investigation of an Unusual Gold(I) Catalyzed Imino-Nazarov Cyclization." Poster presented by Jason Harrison at the Bradford Borge Weekend, University of California, Davis, CA, February 18-19, 2011.
+ (89) Michael W. Lodewyk: "Fun with Molecular Modeling: Highlights and Insights from a Graduate Career in Theoretical Organic Chemistry." Invited lecture presented Mike Lodewyk at CSU Chico, Chico, CA, February 5, 2011.
-2010-
+ (88) Henry Wedler: "Nobody Can See Atoms: Why Blind People Can Do Science and How Blind Scientists Can Help Them Achieve Their Goals." Lecture presented by Hoby Wedler at the 2010 Annual Meeting of Northern California Blind Field Services Vocational Rehabilitation Counselors, December 9, 2010.
+ (87) Phillip Painter: "Toward the Synthesis of Inhibitors of FtsZ-SulA Complexation." Lecture presented by Phil Painter at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, November 17, 2010.
+ (86) Henry Wedler: "Why Blind People Can Do Science and How Blind Scientists Can Help Them Achieve Their Goals." Lecture presented by Hoby Wedler at the National Federation of the Blind of California convention, October 31, 2010.
+ (85) Henry Wedler: "Are You Blind? Then Computational/Theoretical Chemistry Is for You!" Lecture presented by Hoby Wedler at Sonoma State University, Rohnert Park, CA, October 13, 2010.
+ (84) Henry Wedler, Sarah R. Cohen, Rebecca L. Davis, Christian S. Hamann, Jason G. Harrison, Jared T. Shaw, Matthew R. Siebert and Dean J. Tantillo: "Are You Blind? Then Computational/Theoretical Chemistry Is for You!" Poster and short talk presented by Hoby Wedler at the 9th MERCURY Conference, Hamilton College, Clinton, NY, August 1-3, 2010.
+ (83) Henry Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Poster presented by Hoby Wedler at the 9th MERCURY Conference, Hamilton College, Clinton, NY, August 1-3, 2010.
+ (82) Michael W. Lodewyk, Jason G. Harrison and Dean J. Tantillo: "Computed 1H and 13C NMR Chemical Shifts: Implementation and Evaluation of Current Techniques." Lecture presented by Jason Harrison at the Nuclear Magnetic Resonance in Condensed Matter International Symposium and Summer School, St. Petersburg State University, St. Petersburg, Russia, June 28-July 2, 2010.
+ (81) Osvaldo Gutierrez and Dean J. Tantillo: "Engineering an Orbital Forbidden [3s,5s]-Sigmatropic Shift through Palladium(II) Promoted Transition State Complexation." Poster presented by Osvaldo Gutierrez at the 33rd Reaction Mechanisms Conference, University of Massachusetts, Amherst, MA, June 23-26, 2010.
+ (80) Jason G. Harrison and Dean J. Tantillo: "Theoretical Investigation of an Unusual Gold(I) Catalyzed Imino-Nazarov Cyclization." Poster presented by Jason Harrison at the 33rd Reaction Mechanisms Conference, University of Massachusetts, Amherst, MA, June 23-26, 2010.
+ (79) Henry Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Poster presented by Hoby Wedler at the 33rd Reaction Mechanisms Conference, University of Massachusetts, Amherst, MA, June 23-26, 2010.
+ (78) Henry Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Lecture presented by Hoby Wedler at the 2010 Richard Larock Undergraduate Research Conference, UC Davis, Davis, CA, May 22, 2010.
+ (77) Henry Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Lecture presented by Hoby Wedler at the 22nd Annual Northern California ACS Undergraduate Research Symposium, Sacramento, CA, May 8, 2010.
+ (76) Henry Wedler (sponsored by Dean J. Tantillo): "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Lecture presented by Hoby Wedler at the 21st Annual Conference on Undergraduate Research, Scholarship and Creative Activities, UC Davis, Davis, CA, May 1, 2010.
+ (75) Henry B. Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Poster presented by Hoby Wedler at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (74) Phillip P. Painter and Dean J. Tantillo: "Exploring a Tandem Conjugate Addition/aza-Cope Sequence for Selective Heterocyclic Diene Formation." Poster presented by Phil Painter at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (73) Handeep Kaur and Dean J. Tantillo: "A Mechanistic Study of the Biosynthesis of Pseudomonine." Poster presented by Handeep Kaur at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (72) Jason G. Harrison and Dean J. Tantillo: "Theoretical Investigation of an Unusual Gold(I) Catalyzed Imino-Nazarov Cyclization." Poster presented by Jason Harrison at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (71) Morgan P. Kelley, Rebecca Davis and Dean J. Tantillo: "Computational Examination of a Tandem 4-pi Electrocyclic Ring Opening and 6-pi Electrocyclic Ring Closing." Poster presented by Morgan Kelley at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (70) Osvaldo Gutierrez, Regan J. Thomson and Dean J. Tantillo: "Origin of Reactivity in the Carbon-Carbon 'Traceless Bond Construction' Process via a Triflimide-Catalyzed Sigmatropic Rearrangment of N-Allylhydrazones." Poster presented by Osvaldo Gutierrez at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 8-9, 2010.
+ (69) Phillip P. Painter, Matthew R. Siebert and Dean J. Tantillo: "Exploring a Tandem Conjugate Addition/aza-Cope Sequence for Generation of Medium Ring Heterocycles." Poster presented by Phil Painter at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 717.
+ (68) Henry B. Wedler, Christian S. Hamann and Dean J. Tantillo: "Theoretical Hydration Energies of Biologically Relevant alpha-Keto Amides." Poster presented by Hoby Wedler at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 715.
+ (67) Michael W. Lodewyk and Dean J. Tantillo: "Computed 1H and 13C NMR Chemical Shifts: Implementation and Evaluation of Current Techniques." Lecture presented by Mike Lodewyk at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper COMP 139.
# (66) Nicole A. Reed, Dean J. Tantillo and Christian S. Hamann: "Modeling the Conformational Isomerization of an Atropisomeric Farnesyl Transferase Inhibitor." Lecture presented by Chris Hamann at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 359.
+ (65) Rebecca L. Davis and Dean J. Tantillo: "Theoretical Study of Dyotropic Rearrangements Involving a Migrating Oxygen." Lecture presented by Rebecca Davis at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 108.
# (64) Trevor A. Hamlin, Dean J. Tantillo and Christian S. Hamann: "Using Borane, Ammonium and Methylene Substitution to Characterize the Stabilizing Features of a Macrocyclic Sesquiterpene Cation." Lecture presented by Trevor Hamlin at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 107.
+ (63) Young J. Hong and Dean J. Tantillo: "Quantum Chemical Study on the Formation of Beyerene, Kaurene, Trachylobane and Atiserene Diterpenes." Lecture presented by Young Hong at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 46.
+ (62) Jason G. Harrison and Dean J. Tantillo: "Unusual Gold(I)-Catalyzed N-Nazarov Cyclization." Lecture presented by Jason Harrison at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 37.
+ (61) Handeep Kaur and Dean J. Tantillo: "Mechanistic Study of the Biosynthesis of Pseudomonine." Lecture presented by Handeep Kaur at the 239th ACS National Meeting, San Francisco, CA, March 21-25, 2010; paper ORGN 34.
+ (60) Jason G. Harrison and Dean J. Tantillo: "Mechanistic Insight into an Unusual Gold(I)-Catalyzed Nazarov Cyclization." Poster presented by Jason Harrison at the Graduate Student Recruiting Weekend, University of California, Davis, CA, March 18-19, 2010.
+ (59) Jason G. Harrison and Dean J. Tantillo: "Mechanistic Insight into an Unusual Gold(I)-Catalyzed Nazarov Cyclization." Poster presented by Jason Harrison at the Bradford Borge Weekend, University of California, Davis, CA, February 19-20, 2010.
+ (58) Young J. Hong: "Carbocation Chemistry in the Biosynthesis of Terpene Natural Products." Lecture presented by Young Hong at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, January 28, 2010.
-2009-
+ (57) Phillip P. Painter and Dean J. Tantillo: "Eclipsing Transition States and Their Role in Chiral Imidazoline Racemization." Poster presented by Phil Painter at the SYLICCO.09 Symposium, Davis, CA, July 23, 2009.
+ (56) Jason C. Harrison and Dean J. Tantillo: "Mechanistic Insight into and Unusual Gold(I)-Catalyzed Nazarov Cyclization." Poster presented by Jason Harrison at the SYLICCO.09 Symposium, Davis, CA, July 23, 2009.
+ (55) Henry B. Wedler, Christian S. Hamann, and Dean J. Tantillo: "TheTheoretical Hydration Energues of Biologically Relevant alpha-Ketoamides." Poster presented by Hoby Wedler at the SYLICCO.09 Symposium, Davis, CA, July 23, 2009.
+ (54) Handeep Kaur and Dean J. Tantillo: "The Bacteria's Gift: A Mechanistic Study of the Synthesis of Pseudomonine." Poster presented by Handeep Kaur at the SYLICCO.09 Symposium, Davis, CA, July 23, 2009.
# (53) Christian S. Hamann, Nichole A. Reed, and Dean J. Tantillo: "Modeling the Conformational Isomerization of an Atropisomeric Farnesyl Transferase Inhibitor." Poster presented by Chris Hamann at the SYLICCO.09 Symposium, Davis, CA, July 23, 2009.
+ (52) Rebecca L. Davis and Dean J. Tantillo: "Mechanistic Studies on the Dyotropic Rearrangement of Tricyclic Spirolactones." Poster presented by Rebecca Davis at the National Organic Symposium, Boulder, CO, June 7-11, 2009; paper D31.
# (51) Trevor A. Hamlin, Dean J. Tantillo, and Christian S. Hamann: "Using Borane, Ammonium and Methylene Substitution to Characterize the Stabilizing Features of a Macrocyclic Sesquiterpene Cation." Poster presented by Chris Hamann at the National Organic Symposium, Boulder, CO, June 7-11, 2009; paper C33.
+ (50) Matthew R. Siebert and Dean J. Tantillo: "Quantum Chemical Investigation of Synthetically Useful Rh-Catalyzed Reactions." Poster presented by Matt Siebert at the National Organic Symposium, Boulder, CO, June 7-11, 2009; paper A44.
+ (49) Victor Liu, Michael W. Lodewyk, and Dean J. Tantillo: "Progress Towards a Geranyl Pyrophosphate Mimic." Lecture presented by Victor Liu at the 2009 Richard Larock Undergraduate Research Conference, University of California, Davis, CA, May 16, 2009.
# (48) Trevor A. Hamlin, Dean J. Tantillo, and Christian S. Hamann: "Periodic Trends in the Structure of 2p and 3p Real and Theoretical Molecules and Ions." Poster presented by Trevor Hamlin at the 808th Meeting of the Lehigh Valley Section of the American Chemical Society, Moravian College, Bethlehem, PA, April 28, 2009.
# (47) Trevor A. Hamlin, Dean J. Tantillo, and Christian S. Hamann: "Periodic Trends in the Structure of 2p and 3p Real and Theoretical Molecules and Ions." Poster presented by Trevor Hamlin and Chris Hamann at the 23rd National Conference on Undergraduate Research, University of Wisconsin, La Crosse, WI, April 16-18, 2009.
+ (46) Matthew R. Siebert: "Rh C-H Activation Chemistry for Synthesis of Small Molecules." Lecture presented by Matt Siebert at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, April 16, 2009.
+ (45) Rebecca L. Davis and Dean J. Tantillo: "Mechanistic Studies on the Dyotropic Rearrangement of Tricyclic Spirolactones." Poster presented by Rebecca Davis at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 2-3, 2009.
+ (44) Michael W. Lodewyk, Pradeep Gutta, and Dean J. Tantillo: "Computational Studies on Biosynthetic Carbocation Rearrangements Leading Sativene, alpha-Ylangene, and beta-Ylangene." Poster presented by Mike Lodewyk at the R. Bryan Miller Symposium, UC Davis, Davis, CA, April 2-3, 2009.
+ (43) Matthew R. Siebert and Dean J. Tantillo: "Transition State Complexation in the Pd(II)-Catalyzed Cope Rearrangement." Lecture presented by Matt Siebert at the 237th ACS National Meeting, Salt Lake City, UT, March 22-26, 2009; paper ORGN 474.
# (42) Liping Meng, Selina C. Wang, James C. Fettinger, Mark J. Kurth, and Dean J. Tantillo: "Experiment and Theory Study on the Cycloadditions of Nitrones and Alkenes Tethered by Benzimidazoles." Poster presented by Liping Meng at the 237th ACS National Meeting, Salt Lake City, UT, March 22-26, 2009; paper ORGN 150.
+ (41) Rebecca L. Davis and Dean J. Tantillo: "Investigation into the Dyotropic Rearrangement of a Nitroso Acetal." Poster presented by Rebecca Davis at Department of Chemistry Recruiting Weekend Poster Session, University of California, Davis, CA, March 19-20, 2009.
+ (40) Michael W. Lodewyk, Pradeep Gutta, and Dean J. Tantillo: "Computational Studies on Biosynthetic Carbocation Rearrangements Leading Sativene, alpha-Ylangene, and beta-Ylangene." Poster presented by Mike Lodewyk at Department of Chemistry Recruiting Weekend Poster Session, University of California, Davis, CA, March 19-20, 2009.
+ (39) Rebecca L. Davis and Dean J. Tantillo: "Investigation into the Dyotropic Rearrangement of a Nitroso Acetal." Poster presented by Rebecca Davis at the Bradford Borge Weekend, University of California, Davis, CA, February 21-22, 2009.
-2008-
+ (38) Selina C. Wang: "Theoretical Organic and Organometallic Chemistry - Tools for Understanding and Designing Experiments." Invited lecture presented by Selina Wang at National Chung Hsing University, Taiwan, July 23, 2008.
+ (37) Matthew R. Siebert and Dean J. Tantillo: "Transition State Complexation: A Case Study in the Pd(II)-Promoted Cope Rearrangement." Poster presented by Matt Siebert at the Gordon Research Conference on Organometallic Chemistry, Salve Regina University, Newport, RI, July 5-11, 2008.
# (36) Christian S. Hamann and Dean J. Tantillo: "Calculating the Conformational Hops of the Humulyl Cation." Poster and lecture presented by Chris Hamann at the 32nd Reaction Mechanisms Conference, University of North Carolina, Chapel Hill, NC, June 25-28, 2008.
+ (35) Dan Willenbring and Dean J. Tantillo: "Histidine and Cations: Probing the Perfect Pairing on the Pathway to Pentalenene." Poster presented by Dan Willenbring at the R. Bryan Miller Symposium, UC Davis, Davis, CA, March 6-7, 2008.
+ (34) Michael W. Lodewyk and Dean J. Tantillo: "Mechanistic Studies on Diazocinone-Forming Cyclization." Poster presented by Mike Lodewyk at the Bradford Borge Weekend, University of California, Davis, CA, February 22-23, 2008.
+ (33) Michael W. Lodewyk: "Terpene Biosynthesis and More... Research from the Tantillo Group." Lecture presented by Mike Lodewyk at the Chemical Biology Innovation Group (CBIG) meeting, UC Davis, Davis, CA, January 17, 2008.
-2007-
+ (32) Dan Willenbring and Dean J. Tantillo: "Mechanistic Possibilities for Oxetane Formation in the Biosynthesis of Taxol's D Ring." Poster presented by Dan Willenbring at the 41st Western Regional ACS Meeting, San Diego, CA, October 9-13, 2007.
+ (31) Rebecca L. Davis and Dean J. Tantillo: "Investigation into the Dyotropic Rearrangement of a Nitroso Acetal." Poster presented by Rebecca Davis at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (30) Selina C. Wang and Dean J. Tantillo: "Mechanistic Studies on Molebdenum-Promoted Sigmatropic Rearrangements of Bicyclo[6.1.0]nona-2,4,6-triene Complexes." Poster presented by Selina Wang at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (29) Gregory A. Ho and Dean J. Tantillo: "Rethinking Aspernomine Biosynthesis." Poster presented by Greg Ho at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (28) Young J. Hong and Dean J. Tantillo: "Quantum Chemical Studies on Trichodiene Biosynthesis." Poster presented by Young Hong at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (27) Dan Willenbring and Dean J. Tantillo: "Mechanistic Possibilities for Oxetane Formation in the Biosynthesis of Taxol's D Ring." Poster presented by Dan Willenbring at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (26) Michael W. Lodewyk and Dean J. Tantillo: "Mechanistic Studies on Diazocinone-Forming Cyclization." Poster presented by Mike Lodewyk at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (25) Matthew R. Siebert and Dean J. Tantillo: "Palladium(II)-Promoted Cope Rearrangement." Poster presented by Matt Siebert at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (24) Dustin H. Nouri and Dean J. Tantillo: "Hiscotropic Rearrangements." Poster presented by Dustin Nouri at the SYLICCO.07 Symposium, Davis, CA, July 26, 2007.
+ (23) Selina C. Wang and Dean J. Tantillo: "Mechanistic Studies on Molebdenum-Promoted Sigmatropic Rearrangements of Bicyclo[6.1.0]nona-2,4,6-triene Complexes." Poster presented by Selina Wang at the National Organic Symposium, Durham, NC, June 3-7, 2007; paper D66.
+ (22) Gregory Ho (sponsored by Dean J. Tantillo): "Rethinking Aspernomine Biosynthesis." Lecture presented by Greg Ho at the First Annual Richard C. Larock Conference on Undergraduate Research, University of California, Davis, CA, May 19, 2007.
+ (21) Gregory Ho (sponsored by Dean J. Tantillo): "Rethinking Aspernomine Biosynthesis." Lecture presented by Greg Ho at the 18th Annual Conference on Undergraduate Research and Creative Activities, University of California, Davis, CA, April 21, 2007.
+ (20) Gregory A. Ho and Dean J. Tantillo: "Rethinking Aspernomine Biosynthesis." Poster presented by Greg Ho at the National Conference on Undergraduate Research, San Rafael, CA, April 12-14, 2007.
-2006-
+ (19) Young J. Hong and Dean J. Tantillo: "Quantum Chemical Studies on Trichodiene Biosynthesis." Poster presented by Young Hong at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper ORGN 831.
+ (18) Dan Willenbring and Dean J. Tantillo: "Mechanistic Investigation Using Density Functional Theory: The Reactions of Glycosyl Iodides with Oxa- and Thiocycloalkanes." Poster presented by Dan Willenbring at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper ORGN 829.
+ (17) Michael W. Lodewyk and Dean J. Tantillo: "Mechanistic Studies on Diazocinone-Forming Cyclization." Poster presented by Mike Lodewyk at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper ORGN 824.
+ (16) Gregory A. Ho and Dean J. Tantillo: "The Road Not Taken: Rethinking Aspernomine Biosynthesis." Poster presented by Greg Ho at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper ORGN 823.
+ (15) Matthew R. Siebert and Dean J. Tantillo: "Palladium(II)-Promoted Cope Rearrangement." Poster presented by Matt Siebert at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper ORGN 819.
+ (14) Dean J. Tantillo and Selina C. Wang: "Mechanistic Studies of Nickel Catalyzed Vinylcyclopropane-Cyclopentene Rearrangements." Poster presented by Selina Wang at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper COMP 252.
+ (13) Dustin H. Nouri and Dean J. Tantillo: "Ladderane Formation Mechanisms: The Uphill Battle." Poster presented by Dustin Nouri at the 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006; paper COMP 247.
+ (12) Gregory Ho (sponsored by Dean J. Tantillo): "The Road Not Taken: A Computational Study of Aspernomine Biosynthesis." Lecture presented by Greg Ho at the 17th Annual Conference on Undergraduate Research and Creative Activities, University of California, Davis, CA, April 29, 2006.
+ (11) Pradeep Gutta and Dean J. Tantillo: "Theoretical Studies on Farnesyl Cation Cyclization: Pathways to Pentalenene and Diversions to Other Natural Products." Lecture presented by Pradeep Gutta at the 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006.
+ (10) Dustin H. Nouri and Dean J. Tantillo: "Hiscotropic Rearrangements." Poster presented by Dustin Nouri at the Bradford Borge Weekend, University of California, Davis, CA, February 24-25, 2006.
+ (9) Selina C. Wang and Dean J. Tantillo: "Mechanistic Studies of Nickel Catalyzed Vinylcyclopropane-Cyclopentene Rearrangements." Poster presented by Selina Wang at the Bradford Borge Weekend, University of California, Davis, CA, February 24-25, 2006.
-2005-
# (8) Jacquelyn Gervay-Hague, Dean J. Tantillo and D. Christopher Meadows: "Computational Studies and Biological Evaluation of Geminal Disulfones as HIV-1 Integrase Inhibitors." Lecture presented by Chris Meadows at the 230th ACS National Meeting, Washington, DC, August 28-September 1, 2005.
+ (7) Selina C. Wang and Dean J. Tantillo: "Reactions of Semibullvalene and Its Derivatives." Poster presented by Selina Wang at the National Organic Symposium, Salt Lake City, UT, June 12-16, 2005; paper C103.
+ (6) Gregory Ho (sponsored by Dean J. Tantillo): "Thinking Backwards: Revisiting the Synthesis of Longifolene Using Computational Chemistry." Lecture presented by Greg Ho at the 16th Annual Conference on Undergraduate Research and Creative Activities, University of California, Davis, CA, April 23, 2005.
+ (5) Yingluan Li (sponsored by Dean J. Tantillo): "Ping-Pong Pinacol." Poster presented by Ying Li at the 16th Annual Conference on Undergraduate Research and Creative Activities, University of California, Davis, CA, April 23, 2005.
+ (4) Mihaela D. Bojin and Dean J. Tantillo: "Noncovalent Complexes of Nonclassical Cations." Lecture presented by Mihaela Bojin at the 229th ACS National Meeting, San Diego, CA, March 13-17, 2005; paper ORGN 895.
+ (3) Selina C. Wang and Dean J. Tantillo: "Reactions of Semibullvalene and Its Derivatives." Poster presented by Selina Wang at the Bradford Borge Weekend, University of California, Davis, CA, February 25-26, 2005.
-2004-
# (2) Dean J. Tantillo and Roald Hoffmann: "Sigmatropic Shiftamers." Lecture presented by Roald Hoffmann at the 228th ACS National Meeting, Philadelphia, PA, August 22-26, 2004; paper ORGN 11.
-2000-
# (1) Bruce Hietbrink, Dean J. Tantillo, Craig Merlic, and K. N. Houk: "Interaction of Transition Metals with Non-Classical Carbocations." Poster presented by Bruce Hietbrink at the 219th ACS National Meeting, San Francisco, CA, March 26-30, 2000; paper ORGN 418.
+ presentations or posters by Tantillo Group undergraduates, graduate students, or postdoctoral researchers are marked with plus signs
# presentations or posters by collaborators are marked with pound signs
