Dean J. Tantillo, Ph.D. - Publications

Affiliations: 
2009- Chemistry University of California, Davis, Davis, CA 
Area:
Polycyclization, modeling
Website:
http://blueline.ucdavis.edu/

229 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Tsui KY, Tombari RJ, Olson DE, Tantillo DJ. Reconsidering the Structure of Serlyticin-A. Journal of Natural Products. PMID 31840986 DOI: 10.1021/acs.jnatprod.9b00859  0.56
2019 Sayler RI, Stich TA, Joshi S, Cooper N, Shaw JT, Begley TP, Tantillo DJ, Britt RD. Trapping and Electron Paramagnetic Resonance Characterization of the 5'dAdo Radical in a Radical -Adenosyl Methionine Enzyme Reaction with a Non-Native Substrate. Acs Central Science. 5: 1777-1785. PMID 31807679 DOI: 10.1021/acscentsci.9b00706  0.84
2019 Hancock E, Kuker E, Tantillo D, Brown MK. Lessons in Strain and Stability: An Enantioselective Synthesis of (+)-[5]-Ladderanoic Acid. Angewandte Chemie (International Ed. in English). PMID 31650679 DOI: 10.1002/anie.201910901  0.64
2019 Zhu JS, Larach JM, Tombari RJ, Gingrich PW, Bode SR, Tuck JR, Warren HT, Son JH, Duim WC, Fettinger JC, Haddadin MJ, Tantillo DJ, Kurth MJ, Olson DE. A Redox Isomerization Strategy for Accessing Modular Azobenzene Photoswitches with Near Quantitative Bidirectional Photoconversion. Organic Letters. PMID 31638403 DOI: 10.1021/acs.orglett.9b03387  0.96
2019 Dimirjian CA, Castiñeira Reis M, Balmond EI, Turman NC, Rodriguez EP, Di Maso MJ, Fettinger JC, Tantillo DJ, Shaw JT. Synthesis of Spirobicyclic Pyrazoles by Intramolecular Dipolar Cycloadditions/[1s, 5s] Sigmatropic Rearrangements. Organic Letters. PMID 31486651 DOI: 10.1021/acs.orglett.9b02124  0.84
2019 Tombari RJ, Saunders CM, Wu CY, Dunlap LE, Tantillo DJ, Olson DE. Ex Vivo Analysis of Tryptophan Metabolism Using F NMR. Acs Chemical Biology. PMID 31449387 DOI: 10.1021/acschembio.9b00548  0.56
2019 Kraemer N, Li CJ, Zhu JS, Larach JM, Tsui KY, Tantillo DJ, Haddadin MJ, Kurth MJ. Davis-Beirut Reaction: A Photochemical Brønsted Acid Catalyzed Route to -Aryl 2-Indazoles. Organic Letters. PMID 31339318 DOI: 10.1021/acs.orglett.9b02213  0.96
2019 Zhu JS, Li CJ, Tsui KY, Kraemer N, Son JH, Haddadin MJ, Tantillo DJ, Kurth MJ. Accessing Multiple Classes of 2H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions. Journal of the American Chemical Society. PMID 30912441 DOI: 10.1021/jacs.8b13481  0.96
2019 Burlow NP, Howard SY, Saunders CM, Fettinger JC, Tantillo DJ, Shaw JT. Formal [4 + 2] Cycloadditions of Anhydrides and α,β-Unsaturated N-Tosyl Ketimines. Organic Letters. PMID 30721078 DOI: 10.1021/acs.orglett.8b04091  0.84
2018 Hare SR, Li A, Tantillo DJ. Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions. Chemical Science. 9: 8937-8945. PMID 30627409 DOI: 10.1039/c8sc02653j  0.96
2018 McAlpine JB, Chen SN, Kutateladze A, MacMillan JB, Appendino G, Barison A, Beniddir MA, Biavatti MW, Bluml S, Boufridi A, Butler MS, Capon RJ, Choi YH, Coppage D, Crews P, ... ... Tantillo DJ, et al. Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural Product Reports. PMID 30468235 DOI: 10.1039/c8np90041h  0.48
2018 Pelot KA, Hagelthorn DM, Hong YJ, Tantillo DJ, Zerbe P. Diterpene Synthase-Catalyzed Biosynthesis of Distinct Clerodane Stereoisomers. Chembiochem : a European Journal of Chemical Biology. PMID 30393911 DOI: 10.1002/cbic.201800580  1
2018 McCulley CH, Tantillo DJ. Secondary Carbocations in the Biosynthesis of Pupukeanane Sesquiterpenes. The Journal of Physical Chemistry. A. PMID 30209949 DOI: 10.1021/acs.jpca.8b07961  0.68
2018 Zhu JS, Kraemer N, Shatskikh ME, Li CJ, Son JH, Haddadin MJ, Tantillo DJ, Kurth MJ. N-N Bond Formation between Primary Amines and Nitrosos: Direct Synthesis of 2-Substituted Indazolones with Mechanistic Insights. Organic Letters. PMID 30067041 DOI: 10.1021/acs.orglett.8b01655  0.96
2018 O'Brien TE, Bertolani SJ, Zhang Y, Siegel JB, Tantillo DJ. Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases-Bornyl Diphosphate Synthase as a Representative Case. Acs Catalysis. 8: 3322-3330. PMID 30034923 DOI: 10.1021/acscatal.8b00342  0.88
2018 McAlpine JB, Chen SN, Kutateladze A, MacMillan JB, Appendino G, Barison A, Beniddir MA, Biavatti MW, Bluml S, Boufridi A, Butler MS, Capon RJ, Choi YH, Coppage D, Crews P, ... ... Tantillo DJ, et al. The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural Product Reports. PMID 30003207 DOI: 10.1039/c7np00064b  0.48
2018 Kaufman RH, Law CM, Simanis JA, Woodall EL, Zwick CR, Wedler HB, Wendelboe P, Hamaker CG, Goodell JR, Tantillo DJ, Mitchell TA. Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C) Sequences: Scope, Limitation, and Computational Investigations. The Journal of Organic Chemistry. PMID 30001484 DOI: 10.1021/acs.joc.8b01322  0.96
2018 Blümel M, Nagasawa S, Blackford K, Hare SR, Tantillo DJ, Sarpong R. Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity. Journal of the American Chemical Society. PMID 29968475 DOI: 10.1021/jacs.8b05804  0.96
2018 Nguyen QNN, Schwochert J, Tantillo DJ, Lokey RS. Using H and C NMR chemical shifts to determine cyclic peptide conformations: a combined molecular dynamics and quantum mechanics approach. Physical Chemistry Chemical Physics : Pccp. PMID 29744489 DOI: 10.1039/c8cp01616j  0.4
2018 Jia M, O'Brien TE, Zhang Y, Siegel JB, Tantillo DJ, Peters RJ. Changing Face: A Key Residue for the Addition of Water by Sclareol Synthase. Acs Catalysis. 8: 3133-3137. PMID 29713562 DOI: 10.1021/acscatal.8b00121  0.88
2018 Cool LG, Vermillion KE, Takeoka GR, Wang SC, Tantillo DJ. Biosynthesis and Conformational Properties of the Irregular Sesquiterpenoids Isothapsadiene and β-Isothapsenol. The Journal of Organic Chemistry. PMID 29684282 DOI: 10.1021/acs.joc.8b00800  1
2018 Hong YJ, Tantillo DJ. A Maze of Dyotropic Rearrangements and Triple Shifts: Carbocation Rearrangements Connecting Stemarene, Stemodene, Betaerdene, Aphidicolene and Scopadulanol. The Journal of Organic Chemistry. PMID 29494166 DOI: 10.1021/acs.joc.8b00138  1
2018 Xu M, Jia M, Hong YJ, Yin X, Tantillo DJ, Proteau PJ, Peters RJ. Premutilin Synthase: Ring Rearrangement by a Class II Diterpene Cyclase. Organic Letters. PMID 29388775 DOI: 10.1021/acs.orglett.8b00121  1
2017 Desjardins M, Mak WS, O'Brien TE, Carlin DA, Tantillo DJ, Siegel JB. Systematic Functional Analysis of Active-Site Residues in l-Threonine Dehydrogenase from . Acs Omega. 2: 3308-3314. PMID 31457655 DOI: 10.1021/acsomega.7b00519  0.88
2017 Bartels F, Hong YJ, Ueda D, Weber M, Sato T, Tantillo DJ, Christmann M. Bioinspired synthesis of pentacyclic onocerane triterpenoids. Chemical Science. 8: 8285-8290. PMID 29619174 DOI: 10.1039/c7sc03903d  1
2017 Christmann M, Schmiedel VM, Hong YJ, Lentz D, Tantillo D. Synthesis and Structure Revision of Dichrocephones A and B. Angewandte Chemie (International Ed. in English). PMID 29251825 DOI: 10.1002/anie.201711766  1
2017 Huang AC, Hong YJ, Bond AD, Tantillo DJ, Osbourn A. Diverged Plant Terpene Synthases Reroute the Carbocation Cyclization Path towards the Formation of Unprecedented 6/11/5 and 6/6/7/5 Sesterterpene Scaffolds. Angewandte Chemie (International Ed. in English). PMID 29194888 DOI: 10.1002/anie.201711444  1
2017 Lim NK, Weiss P, Li BX, McCulley CH, Hare SR, Bensema BL, Palazzo TA, Tantillo DJ, Zhang H, Gosselin F. Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach. Organic Letters. PMID 29115843 DOI: 10.1021/acs.orglett.7b03141  0.96
2017 Zhu JS, Son JH, Teuthorn AP, Haddadin MJ, Kurth MJ, Tantillo DJ. Correction to "Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction". The Journal of Organic Chemistry. PMID 29091433 DOI: 10.1021/acs.joc.7b02695  0.96
2017 Zhu JS, Son JH, Teuthorn AP, Haddadin MJ, Kurth MJ, Tantillo DJ. Diverting Reactive Intermediates Toward Unusual Chemistry - Unexpected Anthranil Products from Davis-Beirut Reaction. The Journal of Organic Chemistry. PMID 28922917 DOI: 10.1021/acs.joc.7b01521  0.96
2017 Hare SR, Tantillo DJ. Correction: Dynamic behavior of rearranging carbocations - implications for terpene biosynthesis. Beilstein Journal of Organic Chemistry. 13: 1669. PMID 28904610 DOI: 10.3762/bjoc.13.161  0.96
2017 Freund GS, O'Brien TE, Vinson L, Carlin DA, Yao A, Mak WS, Tagkopoulos I, Facciotti MT, Tantillo DJ, Siegel JB. Elucidating Substrate Promiscuity within the FabI Enzyme Family. Acs Chemical Biology. PMID 28820936 DOI: 10.1021/acschembio.7b00400  0.88
2017 Xu G, Elkin M, Tantillo D, Newhouse T, Maimone T. Traversing Biosynthetic Carbocation Landscapes in the Total Synthesis of Andrastin and Terretonin Meroterpenes. Angewandte Chemie (International Ed. in English). PMID 28799296 DOI: 10.1002/anie.201705654  0.6
2017 Mendoza-Sanchez R, Corless VB, Nguyen QNN, Bergeron-Brlek M, Frost J, Adachi S, Tantillo DJ, Yudin AK. Cyclols Revisited: Facile Synthesis of Medium-Sized Cyclic Peptides. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28771904 DOI: 10.1002/chem.201703616  0.56
2017 McCulley C, Geier MJ, Hudson BM, Gagné MR, Tantillo DJ. Biomimetic Platinum-Promoted Polyene Polycyclizations - Influence of Alkene Substitution and Pre-Cyclization Conformations. Journal of the American Chemical Society. PMID 28719198 DOI: 10.1021/jacs.7b05381  0.88
2017 Xu Y, Hong YJ, Tantillo DJ, Brown MK. Intramolecular Chirality Transfer [2 + 2] Cycloadditions of Allenoates and Alkenes. Organic Letters. PMID 28686031 DOI: 10.1021/acs.orglett.7b01420  1
2017 Wilkerson-Hill SM, Yu D, Painter PP, Fisher EL, Tantillo DJ, Sarpong R, Hein JE. On the Mechanism of a No-metal-added Heterocycloisomerization of Alkynylcyclopropylhydrazones: A Synthesis of Cycloheptane-fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings. Journal of the American Chemical Society. PMID 28683552 DOI: 10.1021/jacs.7b06007  1
2017 Huang AC, Kautsar SA, Hong YJ, Medema MH, Bond AD, Tantillo DJ, Osbourn A. Unearthing a sesterterpene biosynthetic repertoire in the Brassicaceae through genome mining reveals convergent evolution. Proceedings of the National Academy of Sciences of the United States of America. PMID 28673978 DOI: 10.1073/pnas.1705567114  1
2017 Abbasov ME, Hudson BM, Tantillo DJ, Romo D. Stereodivergent, Diels-Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application. Chemical Science. 8: 1511-1524. PMID 28616147 DOI: 10.1039/c6sc04273b  0.88
2017 Shaw JT, Lamb KN, Squitieri RA, Chintala SR, Kwong AJ, Balmond EI, Soldi C, Dmytrenko O, Reis MC, Chung R, Addison JB, Fettinger JC, Hein JC, Tantillo DJ, Fox JM. Synthesis of Benzodihydrofurans by Asymmetric C-H Insertion Reactions of Donor/Donor Carbenoids. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28544228 DOI: 10.1002/chem.201701630  0.84
2017 Hare SR, Pemberton RP, Tantillo DJ. Navigating Past a Fork in the Road-Carbocation-π Interactions Can Manipulate Dynamic Behavior of Reactions Facing Post-Transition State Bifurcations. Journal of the American Chemical Society. PMID 28504880 DOI: 10.1021/jacs.7b01042  1
2017 Laws SW, Moore LC, Di Maso MJ, Nguyen QNN, Tantillo DJ, Shaw JT. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic Letters. PMID 28474515 DOI: 10.1021/acs.orglett.7b00468  0.84
2017 Hare SR, Tantillo DJ. Cryptic post-transition state bifurcations that reduce the efficiency of lactone-forming Rh-carbenoid C-H insertions. Chemical Science. 8: 1442-1449. PMID 28451284 DOI: 10.1039/c6sc03745c  0.96
2017 Abbasov ME, Hudson BM, Kong W, Tantillo DJ, Romo D. Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene. Organic & Biomolecular Chemistry. PMID 28358148 DOI: 10.1039/c6ob02738e  0.88
2017 Hong YJ, Tantillo DJ. Is a 1,4-Alkyl Shift Involved in the Biosynthesis of Ledol and Viridiflorol? The Journal of Organic Chemistry. PMID 28277661 DOI: 10.1021/acs.joc.7b00187  1
2017 Mafu S, Karunanithi PS, Palazzo TA, Harrod BL, Rodriguez SM, Mollhoff IN, O'Brien TE, Tong S, Fiehn O, Tantillo DJ, Bohlmann J, Zerbe P. Biosynthesis of the microtubule-destabilizing diterpene pseudolaric acid B from golden larch involves an unusual diterpene synthase. Proceedings of the National Academy of Sciences of the United States of America. PMID 28096378 DOI: 10.1073/pnas.1612901114  0.96
2016 Wang SC, Tantillo DJ. Viability of dodecahedrane-forming radical polycyclizations. Organic & Biomolecular Chemistry. PMID 27905615 DOI: 10.1039/c6ob02300b  1
2016 Bianco CL, Chavez TA, Sosa V, Saund SS, Nguyen QN, Tantillo DJ, Ichimura AS, Toscano JP, Fukuto JM. The Chemical Biology of the Persulfide (RSSH)/Perthiyl (RSS·) Redox Couple and Possible Role in Biological Redox Signaling. Free Radical Biology & Medicine. PMID 27677567 DOI: 10.1016/j.freeradbiomed.2016.09.020  0.68
2016 Wedler HB, Newman T, Tantillo DJ. Decarboxylation Facilitated by Carbocation Formation and Rearrangement during Steam Distillation of Vetiver Oil. Journal of Natural Products. PMID 27676594 DOI: 10.1021/acs.jnatprod.6b00348  0.96
2016 Campos RB, Menezes LR, Barison A, Tantillo DJ, Orth ES. The Importance of Methyl Positioning and Tautomeric Equilibria for Imidazole Nucleophilicity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27595634 DOI: 10.1002/chem.201602573  0.48
2016 Hare SR, Tantillo DJ. Dynamic behavior of rearranging carbocations - implications for terpene biosynthesis. Beilstein Journal of Organic Chemistry. 12: 377-90. PMID 27340434 DOI: 10.3762/bjoc.12.41  0.96
2016 Nguyen QN, Tantillo DJ. When to Let Go-Diradical Intermediates from Zwitterionic Transition State Structures? The Journal of Organic Chemistry. PMID 27227534 DOI: 10.1021/acs.joc.6b00533  0.68
2016 Nguyen QN, Tantillo DJ. Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host. The Journal of Antibiotics. PMID 27189124 DOI: 10.1038/ja.2016.51  0.68
2016 Ortega DE, Nguyen QN, Tantillo DJ, Toro-Labbé A. The catalytic effect of the NH3 base on the chemical events in the caryolene-forming carbocation cascade. Journal of Computational Chemistry. PMID 26833740 DOI: 10.1002/jcc.24294  1
2016 Pauli GF, Niemitz M, Bisson J, Lodewyk MW, Soldi C, Shaw JT, Tantillo DJ, Saya JM, Vos K, Kleinnijenhuis RA, Hiemstra H, Chen SN, McAlpine JB, Lankin DC, Friesen JB. Toward Structural Correctness: Aquatolide and the Importance of 1D Proton NMR FID Archiving. The Journal of Organic Chemistry. PMID 26812443 DOI: 10.1021/acs.joc.5b02456  1
2016 Williams DR, Klein JC, Kopel LC, Nguyen N, Tantillo DJ. Studies toward Australifungin. A Synthesis Dilemma of Regioselective Keto-Enol Tautomerization. Organic Letters. 18: 424-7. PMID 26782295 DOI: 10.1021/acs.orglett.5b03464  0.56
2015 Pemberton RP, Ho KC, Tantillo DJ. Modulation of inherent dynamical tendencies of the bisabolyl cation via preorganization in epi-isozizaene synthase. Chemical Science. 6: 2347-2353. PMID 29308148 DOI: 10.1039/c4sc03782k  1
2015 Harrison JG, Gutierrez O, Jana N, Driver TG, Tantillo DJ. Mechanism of Rh2(II)-Catalyzed Indole Formation-The Catalyst Does Not Control Product Selectivity. Journal of the American Chemical Society. PMID 26718908 DOI: 10.1021/jacs.5b11427  1
2015 Panda S, Coffin A, Nguyen QN, Tantillo DJ, Ready JM. Synthesis and Utility of Dihydropyridine Boronic Esters. Angewandte Chemie (International Ed. in English). PMID 26694785 DOI: 10.1002/anie.201510027  1
2015 Potter KC, Zi J, Hong YJ, Schulte S, Malchow B, Tantillo DJ, Peters RJ. Blocking Deprotonation with Retention of Aromaticity in a Plant ent-Copalyl Diphosphate Synthase Leads to Product Rearrangement. Angewandte Chemie (International Ed. in English). PMID 26603275 DOI: 10.1002/anie.201509060  1
2015 Palazzo TA, Patra D, Yang JS, El Khoury E, Appleton MG, Haddadin MJ, Tantillo DJ, Kurth MJ. Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies. Organic Letters. PMID 26574652 DOI: 10.1021/acs.orglett.5b02680  1
2015 Hong YJ, Tantillo DJ. Correction: The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis. Organic & Biomolecular Chemistry. 13: 11140. PMID 26526514 DOI: 10.1039/c5ob90181b  1
2015 Saund SS, Sosa V, Henriquez S, Nguyen QN, Bianco CL, Soeda S, Millikin R, White C, Le H, Ono K, Tantillo DJ, Kumagai Y, Akaike T, Lin J, Fukuto JM. The Chemical Biology of Hydropersulfides (RSSH): Chemical Stability, Reactivity and Redox Roles. Archives of Biochemistry and Biophysics. PMID 26519887 DOI: 10.1016/j.abb.2015.10.016  1
2015 Hong YJ, Tantillo DJ. Tension between Internal and External Modes of Stabilization in Carbocations Relevant to Terpene Biosynthesis: Modulating Minima Depth via C-H···π Interactions. Organic Letters. PMID 26506248 DOI: 10.1021/acs.orglett.5b02740  1
2015 Sharma K, Wolstenhulme JR, Painter PP, Yeo D, Grande-Carmona F, Johnston CP, Tantillo DJ, Smith MD. Cation-controlled enantio- and diastereoselective synthesis of indolines: an autoinductive phase-transfer initiated 5-endo-trig process. Journal of the American Chemical Society. PMID 26397716 DOI: 10.1021/jacs.5b08834  1
2015 Hong YJ, Tantillo DJ. The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis. Organic & Biomolecular Chemistry. PMID 26371548 DOI: 10.1039/c5ob01785h  1
2015 Wedler HB, Palazzo TA, Pemberton RP, Hamann CS, Kurth MJ, Tantillo DJ. Predicting hydration propensities of biologically relevant α-ketoamides. Bioorganic & Medicinal Chemistry Letters. 25: 4153-7. PMID 26306983 DOI: 10.1016/j.bmcl.2015.08.010  1
2015 Larson RT, Pemberton RP, Franke JM, Tantillo DJ, Thomson RJ. Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors. Journal of the American Chemical Society. 137: 11197-204. PMID 26305231 DOI: 10.1021/jacs.5b07710  1
2015 Painter PP, Siebert MR, Tantillo DJ. Conjugate Addition/[3,3] Sigmatropic Shift Processes for Formation of Medium-Ring Cyclic Amines - Do They Circumvent the Woodward-Hoffmann Rules? The Journal of Organic Chemistry. PMID 26168077 DOI: 10.1021/acs.joc.5b00996  1
2015 Wedler HB, Pemberton RP, Tantillo DJ. Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes. Molecules (Basel, Switzerland). 20: 10781-92. PMID 26111168 DOI: 10.3390/molecules200610781  1
2015 Mizrahi RA, Shin D, Sinkeldam RW, Phelps KJ, Fin A, Tantillo DJ, Tor Y, Beal PA. A Fluorescent Adenosine Analogue as a Substrate for an A-to-I RNA Editing Enzyme. Angewandte Chemie (International Ed. in English). PMID 26095193 DOI: 10.1002/anie.201502070  1
2015 Hare SR, Orman M, Dewan F, Dalchand E, Buzard C, Ahmed S, Tolentino JC, Sethi U, Terlizzi K, Houferak C, Stein AM, Stedronsky A, Thamattoor DM, Tantillo DJ, Merrer DC. Experimental and computational mechanistic investigation of chlorocarbene additions to bridgehead carbene-anti-Bredt systems: noradamantylcarbene-adamantene and adamantylcarbene-homoadamantene. The Journal of Organic Chemistry. 80: 5049-65. PMID 25902301 DOI: 10.1021/acs.joc.5b00456  1
2015 Slauson SR, Pemberton R, Ghosh P, Tantillo DJ, Aubé J. Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions. The Journal of Organic Chemistry. 80: 5260-71. PMID 25901898 DOI: 10.1021/acs.joc.5b00804  1
2015 Wedler HB, Pemberton RP, Lounnas V, Vriend G, Tantillo DJ, Wang SC. Quantum chemical study of the isomerization of 24-methylenecycloartanol, a potential marker of olive oil refining. Journal of Molecular Modeling. 21: 111. PMID 25860110 DOI: 10.1007/s00894-015-2652-y  1
2015 Strych S, Journot G, Pemberton RP, Wang SC, Tantillo DJ, Trauner D. Biomimetic total synthesis of santalin Y. Angewandte Chemie (International Ed. in English). 54: 5079-83. PMID 25858797 DOI: 10.1002/anie.201411350  1
2015 Van Hoveln R, Hudson BM, Wedler HB, Bates DM, Le Gros G, Tantillo DJ, Schomaker JM. Mechanistic studies of copper(I)-catalyzed 1,3-halogen migration. Journal of the American Chemical Society. 137: 5346-54. PMID 25828031 DOI: 10.1021/ja511236d  1
2015 Hamlin TA, Hamann CS, Tantillo DJ. Delocalization of charge and electron density in the humulyl cation—implications for terpene biosynthesis. The Journal of Organic Chemistry. 80: 4046-53. PMID 25822613 DOI: 10.1021/acs.joc.5b00381  1
2015 Ortega DE, Gutiérrez-Oliva S, Tantillo DJ, Toro-Labbé A. A detailed analysis of the mechanism of a carbocationic triple shift rearrangement. Physical Chemistry Chemical Physics : Pccp. 17: 9771-9. PMID 25772495 DOI: 10.1039/c4cp03819c  1
2015 Hong YJ, Tantillo DJ. Feasibility of intramolecular proton transfers in terpene biosynthesis--guiding principles. Journal of the American Chemical Society. 137: 4134-40. PMID 25764274 DOI: 10.1021/ja512685x  1
2015 Kocsis LS, Kagalwala HN, Mutto S, Godugu B, Bernhard S, Tantillo DJ, Brummond KM. Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-Ynes. The Journal of Organic Chemistry. PMID 25671399 DOI: 10.1021/acs.joc.5b00200  1
2015 Hong YJ, Giner JL, Tantillo DJ. Bicyclobutonium ions in biosynthesis--interconversion of cyclopropyl-containing sterols from orchids. Journal of the American Chemical Society. 137: 2085-8. PMID 25607948 DOI: 10.1021/ja512901a  1
2015 Pemberton RP, Ho KC, Tantillo DJ. Modulation of inherent dynamical tendencies of the bisabolyl cation via preorganization in epi-isozizaene synthase Chemical Science. 6: 2347-2353. DOI: 10.1039/c4sc03782k  1
2015 Palazzo TA, Truong TT, Wong SMT, Mack ET, Lodewyk MW, Harrison JG, Gamage RA, Siegel JB, Kurth MJ, Tantillo DJ. Reassigning the structures of natural products using NMR chemical shifts computed with quantum mechanics: A laboratory exercise Journal of Chemical Education. 92: 561-566. DOI: 10.1021/ed4006584  1
2015 Nguyen QNN, Lodewyk MW, Bezer S, Gagné MR, Waters ML, Tantillo DJ. Effects of helix macrodipole and local interactions on catalysis of acyl transfer by α-helical peptides Acs Catalysis. 5: 1617-1622. DOI: 10.1021/cs5019277  1
2015 Hamlin TA, Hamann CS, Tantillo DJ. Delocalization of charge and electron density in the humulyl cation-implications for terpene biosynthesis Journal of Organic Chemistry. 80: 4046-4053. DOI: 10.1021/acs.joc.5b00381  1
2015 Wedler HB, Palazzo TA, Pemberton RP, Hamann CS, Kurth MJ, Tantillo DJ. Predicting hydration propensities of biologically relevant α-ketoamides Bioorganic and Medicinal Chemistry Letters. DOI: 10.1016/j.bmcl.2015.08.010  1
2014 Ye L, Hu B, El-Badri F, Hudson BM, Phuan PW, Verkman AS, Tantillo DJ, Kurth MJ. ΔF508-CFTR correctors: synthesis and evaluation of thiazole-tethered imidazolones, oxazoles, oxadiazoles, and thiadiazoles. Bioorganic & Medicinal Chemistry Letters. 24: 5840-4. PMID 25452003 DOI: 10.1016/j.bmcl.2014.09.067  1
2014 Roth A, Ott S, Farber KM, Palazzo TA, Conrad WE, Haddadin MJ, Tantillo DJ, Cross CE, Eiserich JP, Kurth MJ. Inhibition of myeloperoxidase: evaluation of 2H-indazoles and 1H-indazolones. Bioorganic & Medicinal Chemistry. 22: 6422-9. PMID 25438766 DOI: 10.1016/j.bmc.2014.09.044  1
2014 Zi J, Matsuba Y, Hong YJ, Jackson AJ, Tantillo DJ, Pichersky E, Peters RJ. Biosynthesis of lycosantalonol, a cis-prenyl derived diterpenoid. Journal of the American Chemical Society. 136: 16951-3. PMID 25406026 DOI: 10.1021/ja508477e  1
2014 Rasik CM, Hong YJ, Tantillo DJ, Brown MK. Origins of diastereoselectivity in Lewis acid promoted ketene-alkene [2 + 2] cycloadditions. Organic Letters. 16: 5168-71. PMID 25230201 DOI: 10.1021/ol5025184  1
2014 Ono K, Akaike T, Sawa T, Kumagai Y, Wink DA, Tantillo DJ, Hobbs AJ, Nagy P, Xian M, Lin J, Fukuto JM. Redox chemistry and chemical biology of H2S, hydropersulfides, and derived species: implications of their possible biological activity and utility. Free Radical Biology & Medicine. 77: 82-94. PMID 25229186 DOI: 10.1016/j.freeradbiomed.2014.09.007  1
2014 Painter PP, Wong BM, Tantillo DJ. Facilitating the Cope rearrangement by partial protonation: implications for synthesis and biosynthesis. Organic Letters. 16: 4818-21. PMID 25188876 DOI: 10.1021/ol5023036  1
2014 Lounnas V, Wedler HB, Newman T, Schaftenaar G, Harrison JG, Nepomuceno G, Pemberton R, Tantillo DJ, Vriend G. Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol. Journal of Computer-Aided Molecular Design. 28: 1057-67. PMID 25091066 DOI: 10.1007/s10822-014-9782-7  1
2014 Coffman KC, Nguyen HH, Phuan PW, Hudson BM, Yu GJ, Bagdasarian AL, Montgomery D, Lodewyk MW, Yang B, Yoo CL, Verkman AS, Tantillo DJ, Kurth MJ. Constrained bithiazoles: small molecule correctors of defective ΔF508-CFTR protein trafficking. Journal of Medicinal Chemistry. 57: 6729-38. PMID 25061695 DOI: 10.1021/jm5007885  1
2014 Nguyen QN, Yang J, Tantillo DJ. Factors controlling the facility of transannular Diels-Alder reactions of macrocyclic bis-enones. The Journal of Organic Chemistry. 79: 7162-8. PMID 25000205 DOI: 10.1021/jo5013064  0.68
2014 Trivella DB, Pereira AR, Stein ML, Kasai Y, Byrum T, Valeriote FA, Tantillo DJ, Groll M, Gerwick WH, Moore BS. Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor. Chemistry & Biology. 21: 782-91. PMID 24930969 DOI: 10.1016/j.chembiol.2014.04.010  1
2014 Patra D, Palazzo TA, Malaeb NN, Haddadin MJ, Tantillo DJ, Kurth MJ. Cyclic azacyanines: experimental and computational studies on spectroscopic properties and unique reactivity. Journal of Fluorescence. 24: 1285-96. PMID 24910112 DOI: 10.1007/s10895-014-1413-0  1
2014 Mercado-Marin EV, Garcia-Reynaga P, Romminger S, Pimenta EF, Romney DK, Lodewyk MW, Williams DE, Andersen RJ, Miller SJ, Tantillo DJ, Berlinck RG, Sarpong R. Total synthesis and isolation of citrinalin and cyclopiamine congeners. Nature. 509: 318-24. PMID 24828190 DOI: 10.1038/nature13273  1
2014 Hong YJ, Tantillo DJ. How cyclobutanes are assembled in nature--insights from quantum chemistry. Chemical Society Reviews. 43: 5042-50. PMID 24710596 DOI: 10.1039/c3cs60452g  1
2014 Abbasov ME, Hudson BM, Tantillo DJ, Romo D. Acylammonium salts as dienophiles in Diels-Alder/lactonization organocascades. Journal of the American Chemical Society. 136: 4492-5. PMID 24588428 DOI: 10.1021/ja501005g  1
2014 Hong YJ, Tantillo DJ. 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. Journal of the American Chemical Society. 136: 2450-63. PMID 24490652 DOI: 10.1021/ja4106489  1
2014 Hong YJ, Tantillo DJ. Biosynthetic consequences of multiple sequential post-transition-state bifurcations. Nature Chemistry. 6: 104-11. PMID 24451585 DOI: 10.1038/nchem.1843  1
2014 Bezer S, Matsumoto M, Lodewyk MW, Lee SJ, Tantillo DJ, Gagné MR, Waters ML. Identification and optimization of short helical peptides with novel reactive functionality as catalysts for acyl transfer by reactive tagging. Organic & Biomolecular Chemistry. 12: 1488-94. PMID 24448664 DOI: 10.1039/c3ob41421c  1
2014 Williams DR, Atwater BA, Bawel SA, Ke P, Gutierrez O, Tantillo DJ. Stereocontrol in asymmetric S(E)' reactions of γ-substituted α,β-unsaturated aldehydes. Organic Letters. 16: 468-71. PMID 24377373 DOI: 10.1021/ol403351x  0.92
2014 Nguyen QN, Tantillo DJ. The many roles of quantum chemical predictions in synthetic organic chemistry. Chemistry, An Asian Journal. 9: 674-80. PMID 24376231 DOI: 10.1002/asia.201301452  0.68
2014 Lodewyk MW, Willenbring D, Tantillo DJ. Pentalenene formation mechanisms redux. Organic & Biomolecular Chemistry. 12: 887-94. PMID 24326700 DOI: 10.1039/c3ob42005a  1
2014 Painter PP, Pemberton RP, Wong BM, Ho KC, Tantillo DJ. The viability of nitrone-alkene (3 + 2) cycloadditions in alkaloid biosynthesis. The Journal of Organic Chemistry. 79: 432-5. PMID 24236542 DOI: 10.1021/jo402487d  1
2014 Yoneda H, Tantillo DJ, Atsumi S. Biological production of 2-butanone in Escherichia coli. Chemsuschem. 7: 92-5. PMID 24193695 DOI: 10.1002/cssc.201300853  1
2014 Pemberton RP, Tantillo DJ. Lifetimes of carbocations encountered along reaction coordinates for terpene formation Chemical Science. 5: 3301-3308. DOI: 10.1039/c4sc00674g  1
2014 Isegawa M, Maeda S, Tantillo DJ, Morokuma K. Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes Chemical Science. 5: 1555-1560. DOI: 10.1039/c3sc53293c  1
2014 Wedler HB, Boyes L, Davis RL, Flynn D, Franz A, Hamann CS, Harrison JG, Lodewyk MW, Milinkevich KA, Shaw JT, Tantillo DJ, Wang SC. Nobody can see atoms: Science camps highlighting approaches for making chemistry accessible to blind and visually impaired students Journal of Chemical Education. 91: 188-194. DOI: 10.1021/ed300600p  1
2014 Zaretsky S, Hickey JL, St. Denis MA, Scully CCG, Roughton AL, Tantillo DJ, Lodewyk MW, Yudin AK. Predicting cyclic peptide chemical shifts using quantum mechanical calculations Tetrahedron. 70: 7655-7663. DOI: 10.1016/j.tet.2014.07.070  1
2014 Hong YJ, Tantillo DJ. Viability of nonclassical carbocations proposed as intermediates in the biosynthesis of atiserene, beyerene, kaurene, and trachylobane diterpenes Helvetica Chimica Acta. 97: 1475-1480.  1
2013 Gutierrez O, Harrison JG, Felix RJ, Guzman FC, Gagné MR, Tantillo DJ. Carbonium vs. carbenium ion-like transition state geometries for carbocation cyclization - how strain associated with bridging affects 5-exo vs. 6-endo selectivity. Chemical Science (Royal Society of Chemistry : 2010). 4. PMID 24404374 DOI: 10.1039/C3SC51657A  1
2013 Maity P, Pemberton RP, Tantillo DJ, Tambar UK. Brønsted acid catalyzed enantioselective indole aza-Claisen rearrangement mediated by an arene CH-O interaction. Journal of the American Chemical Society. 135: 16380-3. PMID 24164401 DOI: 10.1021/ja4095473  1
2013 Chooi YH, Hong YJ, Cacho RA, Tantillo DJ, Tang Y. A cytochrome P450 serves as an unexpected terpene cyclase during fungal meroterpenoid biosynthesis. Journal of the American Chemical Society. 135: 16805-8. PMID 24161266 DOI: 10.1021/ja408966t  1
2013 Onizuka K, Harrison JG, Ball-Jones AA, Ibarra-Soza JM, Zheng Y, Ly D, Lam W, Mac S, Tantillo DJ, Beal PA. Short interfering RNA guide strand modifiers from computational screening Journal of the American Chemical Society. 135: 17069-17077. PMID 24152142 DOI: 10.1021/ja4079754  1
2013 Harrison JG, Zheng YB, Beal PA, Tantillo DJ. Computational approaches to predicting the impact of novel bases on RNA structure and stability Acs Chemical Biology. 8: 2354-2359. PMID 24063428 DOI: 10.1021/cb4006062  1
2013 Hong YJ, Irmisch S, Wang SC, Garms S, Gershenzon J, Zu L, Köllner TG, Tantillo DJ. Theoretical and experimental analysis of the reaction mechanism of MrTPS2, a triquinane-forming sesquiterpene synthase from chamomile. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 13590-600. PMID 23963956 DOI: 10.1002/chem.201301018  1
2013 Tantillo DJ. Walking in the woods with quantum chemistry--applications of quantum chemical calculations in natural products research. Natural Product Reports. 30: 1079-86. PMID 23793561 DOI: 10.1039/c3np70028c  0.01
2013 Sorto NA, Painter PP, Fettinger JC, Tantillo DJ, Shaw JT. Design and synthesis of mimics of the T7-loop of FtsZ. Organic Letters. 15: 2700-3. PMID 23721122 DOI: 10.1021/ol4010068  1
2013 Felix RJ, Gutierrez O, Tantillo DJ, Gagné MR. Gold(I)-catalyzed formation of bicyclo[4.2.0]oct-1-enes. The Journal of Organic Chemistry. 78: 5685-90. PMID 23663099 DOI: 10.1021/jo400139g  1
2013 Coffman KC, Palazzo TA, Hartley TP, Fettinger JC, Tantillo DJ, Kurth MJ. Heterocycle-heterocycle strategies: (2-nitrophenyl)isoxazole precursors to 4-aminoquinolines, 1H-indoles, and quinolin-4(1H)-ones. Organic Letters. 15: 2062-5. PMID 23557405 DOI: 10.1021/ol400787y  1
2013 Vaughan MM, Wang Q, Webster FX, Kiemle D, Hong YJ, Tantillo DJ, Coates RM, Wray AT, Askew W, O'Donnell C, Tokuhisa JG, Tholl D. 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. The Plant Cell. 25: 1108-25. PMID 23512856 DOI: 10.1105/tpc.112.100057  1
2013 Nguyen QN, Tantillo DJ. Caryolene-forming carbocation rearrangements. Beilstein Journal of Organic Chemistry. 9: 323-31. PMID 23503674 DOI: 10.3762/bjoc.9.37  0.68
2013 Lebold TP, Wood JL, Deitch J, Lodewyk MW, Tantillo DJ, Sarpong R. A divergent approach to the synthesis of the yohimbinoid alkaloids venenatine and alstovenine. Nature Chemistry. 5: 126-31. PMID 23344433 DOI: 10.1038/nchem.1528  1
2013 Hong YJ, Giner JL, Tantillo DJ. Triple shifts and thioether assistance in rearrangements associated with an unusual biomethylation of the sterol side chain. The Journal of Organic Chemistry. 78: 935-41. PMID 23270431 DOI: 10.1021/jo3024208  1
2013 Ogawa Y, Painter PP, Tantillo DJ, Wender PA. Mechanistic and computational studies of exocyclic stereocontrol in the synthesis of bryostatin-like cis-2,6-disubstituted 4-alkylidenetetrahydropyrans by Prins cyclization. The Journal of Organic Chemistry. 78: 104-15. PMID 23121542 DOI: 10.1021/jo301953h  1
2013 Harrison JG, Tantillo DJ. Role of gold in a complex cascade reaction involving two electrocyclization steps. Journal of Molecular Modeling. 19: 1981-4. PMID 22940873 DOI: 10.1007/s00894-012-1558-1  1
2013 Pemberton RP, Hong YJ, Tantillo DJ. Inherent dynamical preferences in carbocation rearrangements leading to terpene natural products Pure and Applied Chemistry. 85: 1949-1957. DOI: 10.1351/PAC-CON-12-11-22  1
2013 Gutierrez O, Strick BF, Thomson RJ, Tantillo DJ. Mechanism of triflimide-catalyzed [3,3]-sigmatropic rearrangements of N-allylhydrazones - Predictions and experimental validation Chemical Science. 4: 3997-4003. DOI: 10.1039/c3sc51564h  1
2013 Hong YJ, Tantillo DJ. C-H⋯π interactions as modulators of carbocation structure-implications for terpene biosynthesis Chemical Science. 4: 2512-2518. DOI: 10.1039/c3sc50571e  1
2013 Hudson BM, Harrison JG, Tantillo DJ. Assessing the viability of biosynthetic pathways for calophyline A formation - Are pericyclic reactions involved? Tetrahedron Letters. 54: 2952-2955. DOI: 10.1016/j.tetlet.2013.03.109  1
2013 Davis RL, Lodewyk MW, Siebert MR, Tantillo DJ. Complex consequences: Substituent effects on metala⋯arylmethylium interactions Journal of Organometallic Chemistry. 748: 68-74. DOI: 10.1016/j.jorganchem.2013.02.034  1
2012 Siebert MR, Manikandan P, Sun R, Tantillo DJ, Hase WL. Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis. Journal of Chemical Theory and Computation. 8: 1212-22. PMID 26596738 DOI: 10.1021/ct300037p  1
2012 Avila B, El-Dakdouki MH, Nazer MZ, Harrison JG, Tantillo DJ, Haddadin MJ, Kurth MJ. Acid and base catalyzed Davis-Beirut reaction: experimental and theoretical mechanistic studies and synthesis of novel 3-amino-2H-indazoles. Tetrahedron Letters. 53: 6475-6478. PMID 23139435 DOI: 10.1016/j.tetlet.2012.09.026  1
2012 Lodewyk MW, Soldi C, Jones PB, Olmstead MM, Rita J, Shaw JT, Tantillo DJ. The correct structure of aquatolide-experimental validation of a theoretically-predicted structural revision. Journal of the American Chemical Society. 134: 18550-3. PMID 23101682 DOI: 10.1021/ja3089394  1
2012 Gutierrez O, Tantillo DJ. Analogies between synthetic and biosynthetic reactions in which [1,2]-alkyl shifts are combined with other events: dyotropic, Schmidt, and carbocation rearrangements. The Journal of Organic Chemistry. 77: 8845-50. PMID 23006240 DOI: 10.1021/jo301864h  0.92
2012 Knapp JM, Zhu JS, Tantillo DJ, Kurth MJ. Multicomponent assembly of highly substituted indoles by dual palladium-catalyzed coupling reactions. Angewandte Chemie (International Ed. in English). 51: 10588-91. PMID 23001913 DOI: 10.1002/anie.201204633  1
2012 Hong YJ, Ponec R, Tantillo DJ. 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. The Journal of Physical Chemistry. A. 116: 8902-9. PMID 22881994 DOI: 10.1021/jp3047328  1
2012 Leverett CA, Purohit VC, Johnson AG, Davis RL, Tantillo DJ, Romo D. Dyotropic rearrangements of fused tricyclic β-lactones: application to the synthesis of (-)-curcumanolide A and (-)-curcumalactone. Journal of the American Chemical Society. 134: 13348-56. PMID 22853802 DOI: 10.1021/ja303414a  1
2012 Gutierrez O, Harrison JG, Pemberton RP, Tantillo DJ. Re-examining the mechanisms of competing pericyclic reactions of 1,3,7-octatriene. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 11029-35. PMID 22836223 DOI: 10.1002/chem.201201193  1
2012 Harrison JG, Tantillo DJ. Fusing cubanes to 1,5-hexadiene. Physical Chemistry Chemical Physics : Pccp. 14: 14756-9. PMID 22801925 DOI: 10.1039/c2cp41844d  1
2012 Zu L, Xu M, Lodewyk MW, Cane DE, Peters RJ, Tantillo DJ. Effect of isotopically sensitive branching on product distribution for pentalenene synthase: support for a mechanism predicted by quantum chemistry. Journal of the American Chemical Society. 134: 11369-71. PMID 22738258 DOI: 10.1021/ja3043245  1
2012 Nouri DH, Tantillo DJ. Attack of radicals and protons on ladderane lipids: quantum chemical calculations and biological implications. Organic & Biomolecular Chemistry. 10: 5514-7. PMID 22699391 DOI: 10.1039/c2ob25717c  1
2012 Laulhé S, Bogdanov B, Johannes LM, Gutierrez O, Harrison JG, Tantillo DJ, Zhang X, Nantz MH. Fragmentation of oxime and silyl oxime ether odd-electron positive ions by the McLafferty rearrangement: new insights on structural factors that promote α,β fragmentation. Journal of Mass Spectrometry : Jms. 47: 676-86. PMID 22678949 DOI: 10.1002/jms.2986  1
2012 Felix RJ, Weber D, Gutierrez O, Tantillo DJ, Gagné MR. A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes. Nature Chemistry. 4: 405-9. PMID 22522261 DOI: 10.1038/nchem.1327  1
2012 Liu R, Gutierrez O, Tantillo DJ, Aubé J. Stereocontrol in a combined allylic azide rearrangement and intramolecular Schmidt reaction. Journal of the American Chemical Society. 134: 6528-31. PMID 22490078 DOI: 10.1021/ja300369c  0.92
2012 Fukuto JM, Carrington SJ, Tantillo DJ, Harrison JG, Ignarro LJ, Freeman BA, Chen A, Wink DA. Small molecule signaling agents: The integrated chemistry and biochemistry of nitrogen oxides, oxides of carbon, dioxygen, hydrogen sulfide, and their derived species Chemical Research in Toxicology. 25: 769-793. PMID 22263838 DOI: 10.1021/tx2005234  1
2012 Quasdorf KW, Huters AD, Lodewyk MW, Tantillo DJ, Garg NK. Total synthesis of oxidized welwitindolinones and (-)-N-methylwelwitindolinone C isonitrile. Journal of the American Chemical Society. 134: 1396-9. PMID 22235964 DOI: 10.1021/ja210837b  1
2012 Knapp JM, Wood AB, Phuan PW, Lodewyk MW, Tantillo DJ, Verkman AS, Kurth MJ. Structure-activity relationships of cyanoquinolines with corrector-potentiator activity in ΔF508 cystic fibrosis transmembrane conductance regulator protein. Journal of Medicinal Chemistry. 55: 1242-51. PMID 22214395 DOI: 10.1021/jm201372q  1
2012 Gutierrez O, Aubé J, Tantillo DJ. Mechanism of the acid-promoted intramolecular schmidt reaction: theoretical assessment of the importance of lone pair-cation, cation-π, and steric effects in controlling regioselectivity. The Journal of Organic Chemistry. 77: 640-7. PMID 22126337 DOI: 10.1021/jo202338m  0.92
2012 Lodewyk MW, Siebert MR, Tantillo DJ. Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry. Chemical Reviews. 112: 1839-62. PMID 22091891 DOI: 10.1021/cr200106v  1
2012 Biggs-Houck JE, Davis RL, Wei J, Mercado BQ, Olmstead MM, Tantillo DJ, Shaw JT. Carbon-carbon bond-forming reactions of α-thioaryl carbonyl compounds for the synthesis of complex heterocyclic molecules. The Journal of Organic Chemistry. 77: 160-72. PMID 22023077 DOI: 10.1021/jo201541e  0.96
2012 Hong YJ, Tantillo DJ. Theoretical calculations on carbocations involved in the biosynthesis of bergamotenes and related terpenes--the same and not the same. Chemical Communications (Cambridge, England). 48: 1571-3. PMID 21983931 DOI: 10.1039/c1cc14414f  1
2012 Wedler HB, Cohen SR, Davis RL, Harrison JG, Siebert MR, Willenbring D, Hamann CS, Shaw JT, Tantillo DJ. Applied computational chemistry for the blind and visually impaired Journal of Chemical Education. 89: 1400-1404. DOI: 10.1021/ed3000364  1
2012 Siebert MR, Manikandan P, Sun R, Tantillo DJ, Hase WL. Gas-phase chemical dynamics simulations on the bifurcating pathway of the pimaradienyl cation rearrangement: Role of enzymatic steering in abietic acid biosynthesis Journal of Chemical Theory and Computation. 8: 1212-1222. DOI: 10.1021/ct300037p  1
2012 Sio V, Harrison JG, Tantillo DJ. Theoretical assessment of the viability of thermal [2+2] processes for formation of plumisclerin A Tetrahedron Letters. 53: 6919-6922. DOI: 10.1016/j.tetlet.2012.10.019  1
2011 Hong YJ, Tantillo DJ. The taxadiene-forming carbocation cascade. Journal of the American Chemical Society. 133: 18249-56. PMID 21988104 DOI: 10.1021/ja2055929  1
2011 Davis RL, Leverett CA, Romo D, Tantillo DJ. Switching between concerted and stepwise mechanisms for dyotropic rearrangements of β-lactones leading to spirocyclic, bridged γ-butyrolactones. The Journal of Organic Chemistry. 76: 7167-74. PMID 21770451 DOI: 10.1021/jo2012175  1
2011 Guggenheim KG, Butler JD, Painter PP, Lorsbach BA, Tantillo DJ, Kurth MJ. Synthesis of spiro-fused pyrazolidoylisoxazolines. The Journal of Organic Chemistry. 76: 5803-12. PMID 21650164 DOI: 10.1021/jo200924y  1
2011 Siebert MR, Zhang J, Addepalli SV, Tantillo DJ, Hase WL. The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface. Journal of the American Chemical Society. 133: 8335-43. PMID 21548620 DOI: 10.1021/ja201730y  1
2011 Tantillo DJ. Biosynthesis via carbocations: theoretical studies on terpene formation. Natural Product Reports. 28: 1035-53. PMID 21541432 DOI: 10.1039/c1np00006c  0.01
2011 Lodewyk MW, Tantillo DJ. Prediction of the structure of nobilisitine a using computed NMR chemical shifts. Journal of Natural Products. 74: 1339-43. PMID 21469691 DOI: 10.1021/np2000446  1
2011 Hong YJ, Tantillo DJ. How many secondary carbocations are involved in the biosynthesis of avermitilol? Organic Letters. 13: 1294-7. PMID 21322615 DOI: 10.1021/ol103079v  1
2011 Tantillo DJ, Lee JK. Reaction mechanisms: Pericyclic reactions Annual Reports On the Progress of Chemistry - Section B. 107: 266-286. DOI: 10.1039/c1oc90004h  1
2011 Hong YJ, Tantillo DJ. Does gold as a substituent accelerate [3,3] sigmatropic shifts? Organometallics. 30: 5825-5831. DOI: 10.1021/om200676n  1
2011 Siebert MR, Tantillo DJ. Fundamental properties of N-alkenylaziridines - Implications for the design of new reactions and organocatalysts Journal of Physical Organic Chemistry. 24: 445-449. DOI: 10.1002/poc.1776  1
2010 Hong YJ, Tantillo DJ. Quantum chemical dissection of the classic terpinyl/pinyl/bornyl/camphyl cation conundrum-the role of pyrophosphate in manipulating pathways to monoterpenes. Organic & Biomolecular Chemistry. 8: 4589-600. PMID 20725661 DOI: 10.1039/c0ob00167h  1
2010 Siebert MR, Osbourn JM, Brummond KM, Tantillo DJ. Differentiating mechanistic possibilities for the thermal, intramolecular [2 + 2] cycloaddition of allene-ynes. Journal of the American Chemical Society. 132: 11952-66. PMID 20687581 DOI: 10.1021/ja102848z  1
2010 Butler JD, Conrad WE, Lodewyk MW, Fettinger JC, Tantillo DJ, Kurth MJ. Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction. Organic Letters. 12: 3410-3. PMID 20617821 DOI: 10.1021/ol101221c  1
2010 Tantillo DJ. The carbocation continuum in terpene biosynthesis--where are the secondary cations? Chemical Society Reviews. 39: 2847-54. PMID 20442917 DOI: 10.1039/b917107j  0.01
2010 Hong YJ, Tantillo DJ. Formation of beyerene, kaurene, trachylobane, and atiserene diterpenes by rearrangements that avoid secondary carbocations. Journal of the American Chemical Society. 132: 5375-86. PMID 20353180 DOI: 10.1021/ja9084786  1
2010 Tantillo DJ. How an enzyme might accelerate an intramolecular Diels-Alder reaction: theozymes for the formation of salvileucalin B. Organic Letters. 12: 1164-7. PMID 20180530 DOI: 10.1021/ol9028435  0.01
2010 Davis RL, Tantillo DJ. Dissecting a dyotropic rearrangement. The Journal of Organic Chemistry. 75: 1693-700. PMID 20121146 DOI: 10.1021/jo902685x  1
2010 Gribanova TN, Starikov AG, Minyaev RM, Minkin VI, Siebert MR, Tantillo DJ. Sandwich compounds of transition metals with cyclopolyenes and isolobal boron analogues. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 2272-81. PMID 20029919 DOI: 10.1002/chem.200902004  1
2010 Ye L, Haddadin MJ, Lodewyk MW, Ferreira AJ, Fettinger JC, Tantillo DJ, Kurth MJ. Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies. Organic Letters. 12: 164-7. PMID 19961148 DOI: 10.1021/ol902559u  1
2010 Wang SC, Beal PA, Tantillo DJ. Covalent hydration energies for purine analogs by quantum chemical methods Journal of Computational Chemistry. 31: 721-725. PMID 19569207 DOI: 10.1002/jcc.21364  1
2009 Meng L, Wang SC, Fettinger JC, Kurth MJ, Tantillo DJ. Controlling Selectivity for Cycloadditions of Nitrones and Alkenes Tethered by Benzimidazoles: Combining Experiment and Theory. European Journal of Organic Chemistry. 2009. PMID 24327801 DOI: 10.1002/ejoc.200801211  0.96
2009 Hong YJ, Tantillo DJ. A potential energy surface bifurcation in terpene biosynthesis. Nature Chemistry. 1: 384-9. PMID 21378892 DOI: 10.1038/nchem.287  1
2009 Wang SC, Troast DM, Conda-Sheridan M, Zuo G, LaGarde D, Louie J, Tantillo DJ. Mechanism of the Ni(0)-catalyzed vinylcyclopropane-cyclopentene rearrangement. The Journal of Organic Chemistry. 74: 7822-33. PMID 19780523 DOI: 10.1021/jo901525u  1
2009 Hong YJ, Tantillo DJ. Modes of inactivation of trichodiene synthase by a cyclopropane-containing farnesyldiphosphate analog. Organic & Biomolecular Chemistry. 7: 4101-9. PMID 19763318 DOI: 10.1039/b908738a  1
2009 Pokharel S, Jayalath P, Maydanovych O, Goodman RA, Wang SC, Tantillo DJ, Beal PA. Matching active site and substrate structures for an RNA editing reaction Journal of the American Chemical Society. 131: 11882-11891. PMID 19642681 DOI: 10.1021/ja9034076  1
2009 Lodewyk MW, Kurth MJ, Tantillo DJ. Mechanisms for formation of diazocinones, pyridazines, and pyrazolines from tetrazines--oxyanion-accelerated pericyclic cascades? The Journal of Organic Chemistry. 74: 4804-11. PMID 19485385 DOI: 10.1021/jo900565y  1
2009 Hong YJ, Tantillo DJ. Consequences of conformational preorganization in sesquiterpene biosynthesis: theoretical studies on the formation of the bisabolene, curcumene, acoradiene, zizaene, cedrene, duprezianene, and sesquithuriferol sesquiterpenes. Journal of the American Chemical Society. 131: 7999-8015. PMID 19469543 DOI: 10.1021/ja9005332  1
2009 Tantillo DJ. Using theory and experiment to discover catalysts for electrocyclizations. Angewandte Chemie (International Ed. in English). 48: 31-2. PMID 19097076 DOI: 10.1002/anie.200804908  0.01
2008 Wang SC, Tantillo DJ. Prediction of a new pathway to presilphiperfolanol. Organic Letters. 10: 4827-30. PMID 18823123 DOI: 10.1021/ol801898v  1
2008 Yu GJ, Yoo CL, Yang B, Lodewyk MW, Meng L, El-Idreesy TT, Fettinger JC, Tantillo DJ, Verkman AS, Kurth MJ. Potent s-cis-locked bithiazole correctors of DeltaF508 cystic fibrosis transmembrane conductance regulator cellular processing for cystic fibrosis therapy. Journal of Medicinal Chemistry. 51: 6044-54. PMID 18788728 DOI: 10.1021/jm800533c  1
2008 Lodewyk MW, Gutta P, Tantillo DJ. Computational studies on biosynthetic carbocation rearrangements leading to sativene, cyclosativene, alpha-ylangene, and beta-ylangene. The Journal of Organic Chemistry. 73: 6570-9. PMID 18681400 DOI: 10.1021/jo800868r  1
2008 Marcus AP, Lee AS, Davis RL, Tantillo DJ, Sarpong R. Pronounced steric effects of substituents in the nazarov cyclization of aryl dienyl ketones. Angewandte Chemie (International Ed. in English). 47: 6379-83. PMID 18618883 DOI: 10.1002/anie.200801542  1
2008 Siebert MR, Tantillo DJ. [3,3]-Sigmatropic shifts of N-allylhydrazones: quantum chemical comparison of concerted and radical cation pathways. Organic Letters. 10: 3219-22. PMID 18582074 DOI: 10.1021/ol801107j  1
2008 Carpenter RD, DeBerdt PB, Holden JB, Milinkevich KA, Min T, Willenbring D, Fettinger JC, Tantillo DJ, Kurth MJ. Design and synthesis of propeller-shaped dispiroisoxazolinopiperidinochromanones. Journal of Combinatorial Chemistry. 10: 225-9. PMID 18232646 DOI: 10.1021/cc700173x  1
2008 Wang SC, Tantillo DJ. Theoretical studies on synthetic and biosynthetic oxidopyrylium-alkene cycloadditions: pericyclic pathways to intricarene. The Journal of Organic Chemistry. 73: 1516-23. PMID 18205383 DOI: 10.1021/jo7023762  1
2008 Siebert MR, Yudin AK, Tantillo DJ. Cycloaddition/Ring opening reaction sequences of N-alkenyl aziridines: influence of the aziridine nitrogen on stereoselectivity. Organic Letters. 10: 57-60. PMID 18052185 DOI: 10.1021/ol702623d  1
2007 Hong YJ, Tantillo DJ. Perturbing the structure of the 2-norbornyl cation through C-H...N and C-H...pi interactions. The Journal of Organic Chemistry. 72: 8877-81. PMID 17941673 DOI: 10.1021/jo701526x  1
2007 Wang SC, Tantillo DJ. Substituent effects on tandem alkenyl migration/electrophilic aromatic substitution reactions: a theoretical study. The Journal of Organic Chemistry. 72: 8394-401. PMID 17900143 DOI: 10.1021/jo701550t  1
2007 Wang SC, Tantillo DJ. Selective stabilization of transition state structures for cope rearrangements of semibullvalene and barbaralane through interactions with halogens. The Journal of Physical Chemistry. A. 111: 7149-53. PMID 17602458 DOI: 10.1021/jp0724525  1
2007 Siebert MR, Tantillo DJ. Transition-state complexation in palladium-promoted [3,3] sigmatropic shifts. Journal of the American Chemical Society. 129: 8686-7. PMID 17585765 DOI: 10.1021/ja072159i  1
2007 El-Badri MH, Willenbring D, Tantillo DJ, Gervay-Hague J. Mechanistic studies on the stereoselective formation of beta-mannosides from mannosyl iodides using alpha-deuterium kinetic isotope effects. The Journal of Organic Chemistry. 72: 4663-72. PMID 17539683 DOI: 10.1021/jo070229y  1
2007 Park YS, Wang SC, Tantillo DJ, Little RD. A highly selective rearrangement of a housane-derived cation radical: an electrochemically mediated transformation. The Journal of Organic Chemistry. 72: 4351-7. PMID 17497802 DOI: 10.1021/jo070190x  1
2007 Gutta P, Tantillo DJ. A promiscuous proton in taxadiene biosynthesis? Organic Letters. 9: 1069-71. PMID 17309272 DOI: 10.1021/ol070007m  1
2006 Hong YJ, Tantillo DJ. Which is more likely in trichodiene biosynthesis: hydride or proton transfer? Organic Letters. 8: 4601-4. PMID 16986960 DOI: 10.1021/ol061884f  1
2006 Meadows DC, Tantillo DJ, Gervay-Hague J. Correlation of biological activity with active site binding modes of geminal disulfone HIV-1 integrase inhibitors. Chemmedchem. 1: 959-64. PMID 16952140 DOI: 10.1002/cmdc.200600040  1
2006 Tantillo DJ, Hoffmann R. Snakes and ladders. The sigmatropic shiftamer concept. Accounts of Chemical Research. 39: 477-86. PMID 16846211 DOI: 10.1021/ar0680926  1
2006 Nouri DH, Tantillo DJ. Hiscotropic rearrangements: hybrids of electrocyclic and sigmatropic reactions. The Journal of Organic Chemistry. 71: 3686-95. PMID 16674038 DOI: 10.1021/jo052498z  1
2006 Gutta P, Tantillo DJ. Theoretical studies on farnesyl cation cyclization: pathways to pentalenene. Journal of the American Chemical Society. 128: 6172-9. PMID 16669687 DOI: 10.1021/ja058031n  1
2006 Bojin MD, Tantillo DJ. Nonclassical carbocations as C-H hydrogen bond donors. The Journal of Physical Chemistry. A. 110: 4810-6. PMID 16599449 DOI: 10.1021/jp056965s  1
2006 Ponec R, Bultinck P, Gutta P, Tantillo DJ. Multicenter bonding in carbocations with tetracoordinate protons. The Journal of Physical Chemistry. A. 110: 3785-9. PMID 16526663 DOI: 10.1021/jp0568430  1
2006 Siebert MR, Tantillo DJ. Tetracoordinate carbon as a nucleophile? Interconversion of carbenium ions with carbonium ions possessing nearly square-pyramidal pentacoordinate carbons. The Journal of Organic Chemistry. 71: 645-54. PMID 16408975 DOI: 10.1021/jo052053a  1
2005 Ho GA, Nouri DH, Tantillo DJ. The cationic cascade route to longifolene. The Journal of Organic Chemistry. 70: 5139-43. PMID 15960516 DOI: 10.1021/jo0503658  1
2005 Gerken JB, Wang SC, Preciado AB, Park YS, Nishiguchi G, Tantillo DJ, Little RD. Remote substituent effects upon the rearrangements of housane cation radicals. The Journal of Organic Chemistry. 70: 4598-608. PMID 15932295 DOI: 10.1021/jo050087c  1
2005 Gutta P, Tantillo DJ. Proton sandwiches: nonclassical carbocations with tetracoordinate protons. Angewandte Chemie (International Ed. in English). 44: 2719-23. PMID 15822137 DOI: 10.1002/anie.200461915  1
2004 Ponec R, Yuzhakov G, Tantillo DJ. Multicenter bonding in organic chemistry. Geometry-sensitive 3c-2e bonding in (C...H...C) fragments of organic cations. The Journal of Organic Chemistry. 69: 2992-6. PMID 15104436 DOI: 10.1021/jo035506p  0.44
2004 Tantillo DJ, Hoffmann R, Houk KN, Warner PM, Brown EC, Henze DK. Extended barbaralanes: sigmatropic shiftamers or sigma-polyacenes? Journal of the American Chemical Society. 126: 4256-63. PMID 15053615 DOI: 10.1021/ja0392364  1
2003 Hoffmann R, Tantillo DJ. Breaking down barriers: the liaison between sigmatropic shifts, electrocyclic reactions, and three-center cations. Angewandte Chemie (International Ed. in English). 42: 5877-82. PMID 14673925 DOI: 10.1002/anie.200352853  1
2003 Tantillo DJ, Hoffmann R. Prospecting for a 5-center 4-electron (C- - -H- - -C- - -H- - -C)+ bonding array. Journal of the American Chemical Society. 125: 4042-3. PMID 12670213 DOI: 10.1021/ja021394s  1
2003 Ujaque G, Tantillo DJ, Hu Y, Houk KN, Hotta K, Hilvert D. Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. Journal of Computational Chemistry. 24: 98-110. PMID 12483679 DOI: 10.1002/jcc.10151  1
2002 Tantillo DJ, Hoffmann R. Sigmatropic shiftamers: fluxionality in broken ladderane polymers. Angewandte Chemie (International Ed. in English). 41: 1033-6. PMID 12491304 DOI: 10.1002/1521-3773(20020315)41:6<1033::AID-ANIE1033>3.0.CO;2-8  1
2002 Tantillo DJ, Hoffmann R. Helicoid shiftamers. Journal of the American Chemical Society. 124: 6836-7. PMID 12059199  1
2002 Tantillo DJ, Houk KN. Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis. Journal of Computational Chemistry. 23: 84-95. PMID 11913392 DOI: 10.1002/jcc.10019  1
2002 Tantillo DJ, Hoffmann R. Fickle hexadienes. Manipulating the relative energies of chairlike and boatlike transition structures for the cope rearrangement. The Journal of Organic Chemistry. 67: 1419-26. PMID 11871868  1
2001 Houk KN, Lee JK, Tantillo DJ, Bahmanyar S, Hietbrink BN. Crystal structures of orotidine monophosphate decarboxylase: does the structure reveal the mechanism of nature's most proficient enzyme? Chembiochem : a European Journal of Chemical Biology. 2: 113-8. PMID 11828434 DOI: 10.1002/1439-7633(20010202)2:2<113::AID-CBIC113>3.0.CO;2-T  1
2001 Tantillo DJ, Hoffmann R. Complicated goings-on in the metal-manipulated ring-opening of cyclobutene. Journal of the American Chemical Society. 123: 9855-9. PMID 11583549  1
2001 Tantillo DJ, Houk KN. Canonical binding arrays as molecular recognition elements in the immune system: tetrahedral anions and the ester hydrolysis transition state. Chemistry & Biology. 8: 535-45. PMID 11410373  1
2001 Tantillo DJ, Houk KN, Jung ME. Origins of stereoselectivity in intramolecular Diels-Alder cycloadditions of dienes and dienophiles linked by ester and amide tethers. The Journal of Organic Chemistry. 66: 1938-40. PMID 11300884  1
2000 Hotta K, Lange H, Tantillo DJ, Houk KN, Hilvert D, Wilson IA. Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. Journal of Molecular Biology. 302: 1213-25. PMID 11183784 DOI: 10.1006/jmbi.2000.4503  1
2000 Chow DS, Zamborszky F, Alavi B, Tantillo DJ, Baur A, Merlic CA, Brown SE. Charge ordering in the TMTTF family of molecular conductors Physical Review Letters. 85: 1698-701. PMID 10970592 DOI: 10.1103/PhysRevLett.85.1698  1
1999 Tantillo DJ, Houk KN. Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters? The Journal of Organic Chemistry. 64: 3066-3076. PMID 11674403  1
1998 Tantillo DJ, Chen J, Houk KN. Theozymes and compuzymes: theoretical models for biological catalysis. Current Opinion in Chemical Biology. 2: 743-50. PMID 9914196  1
Show low-probability matches.