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List of works by Dean J Tantillo

A Fluorescent Adenosine Analogue as a Substrate for an A-to-I RNA Editing Enzyme.

scientific article

A Maze of Dyotropic Rearrangements and Triple Shifts: Carbocation Rearrangements Connecting Stemarene, Stemodene, Betaerdene, Aphidicolene, and Scopadulanol

scientific article published in March 2018

A Redox Isomerization Strategy for Accessing Modular Azobenzene Photoswitches with Near Quantitative Bidirectional Photoconversion

scientific article published on 22 October 2019

A cytochrome P450 serves as an unexpected terpene cyclase during fungal meroterpenoid biosynthesis ⬇️

scientific article

A divergent approach to the synthesis of the yohimbinoid alkaloids venenatine and alstovenine.

scientific article published on 23 December 2012

A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.

scientific article published on 15 April 2012

A potential energy surface bifurcation in terpene biosynthesis

scientific article

A promiscuous proton in taxadiene biosynthesis?

scientific article published on 20 February 2007

ACS Omega 2017: A Year-End Expression of Appreciation for the Fundamental Contributions of Our Reviewers

scientific article published on 18 January 2018

Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions

scientific article published on 04 April 2019

Acylammonium salts as dienophiles in Diels-Alder/lactonization organocascades.

scientific article published on 12 March 2014

Application of Computational Chemical Shift Prediction Techniques to the Cereoanhydride Structure Problem-Carboxylate Complications.

scientific article

Barry Carpenter—Pioneering physical organic chemist, teacher, mentor, and friend

scientific article published in 2022

Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics

scientific article published in 2022

Bicyclobutonium ions in biosynthesis--interconversion of cyclopropyl-containing sterols from orchids

scientific article published on 30 January 2015

Bioinspired synthesis of pentacyclic onocerane triterpenoids

scientific article published on 16 October 2017

Biological production of 2-butanone in Escherichia coli.

scientific article published on 5 November 2013

Biomimetic Platinum-Promoted Polyene Polycyclizations: Influence of Alkene Substitution and Pre-cyclization Conformations.

scientific article

Biomimetic total synthesis of santalin Y.

scientific article published on 8 April 2015

Biosynthesis and Conformational Properties of the Irregular Sesquiterpenoids Isothapsadiene and β-Isothapsenol

scientific article published on 02 May 2018

Biosynthesis of lycosantalonol, a cis-prenyl derived diterpenoid

scientific article published on 21 November 2014

Biosynthesis via carbocations: theoretical studies on terpene formation.

scientific article published on 04 May 2011

Biosynthetic consequences of multiple sequential post-transition-state bifurcations

scientific article published on 19 January 2014

Blocking Deprotonation with Retention of Aromaticity in a Plant ent-Copalyl Diphosphate Synthase Leads to Product Rearrangement

scientific article

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, sesquisabin

scientific article published on 3 February 2014

Breaking down barriers: the liaison between sigmatropic shifts, electrocyclic reactions, and three-center cations

scientific article published on 01 January 2003

Brønsted acid catalyzed enantioselective indole aza-Claisen rearrangement mediated by an arene CH-O interaction.

scientific article published on 28 October 2013

Caryolene-forming carbocation rearrangements.

scientific article published on 13 February 2013

Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole

scientific article published in January 2003

Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process

scientific article published on 23 September 2015

Changing Face: A Key Residue for the Addition of Water by Sclareol Synthase

article

Complicated goings-on in the metal-manipulated ring-opening of cyclobutene

scientific article

Computational Prediction of1H and13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry ⬇️

scientific article published on November 17, 2011

Consequences of conformational preorganization in sesquiterpene biosynthesis: theoretical studies on the formation of the bisabolene, curcumene, acoradiene, zizaene, cedrene, duprezianene, and sesquithuriferol sesquiterpenes

scientific article published in June 2009

Correction to "Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction".

scientific article published in November 2017

Correction: The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis

scientific article

Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

scientific article published on 23 November 2018

Coupled Electrocyclization/Prototropic Shift in the Biosynthesis of Crotinsulidane Diterpenoids

scientific article published on 22 December 2017

Covalent hydration energies for purine analogs by quantum chemical methods.

scientific article published in March 2010

Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c

scientific article published on 12 November 2020

Davis-Beirut Reaction: A Photochemical Brønsted Acid Catalyzed Route to N-Aryl 2H-Indazoles

scientific article published on 24 July 2019

Design and synthesis of propeller-shaped dispiroisoxazolinopiperidinochromanones

scientific article

Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides

scientific article published in 2017

Differentiating mechanistic possibilities for the thermal, intramolecular [2 + 2] cycloaddition of allene-ynes

scientific article published on September 2010

Dissecting a dyotropic rearrangement

scientific article published on 01 March 2010

Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.

scientific article published on 19 September 2017

Dynamic Effects on Migratory Aptitudes in Carbocation Reactions

scientific article published on 05 January 2021

Dynamic behavior of rearranging carbocations - implications for terpene biosynthesis

scientific article

Dyotropic rearrangements of fused tricyclic β-lactones: application to the synthesis of (-)-curcumanolide A and (-)-curcumalactone

scientific article published on 01 August 2012

Effect of isotopically sensitive branching on product distribution for pentalenene synthase: support for a mechanism predicted by quantum chemistry

scientific article

Effects of electrostatic drag on the velocity of hydrogen migration - pre- and post-transition state enthalpy/entropy compensation

scientific article published on 18 November 2020

Elucidating Substrate Promiscuity within the FabI Enzyme Family

scientific article

Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes

scientific article published on 13 November 2019

Ex Vivo Analysis of Tryptophan Metabolism Using 19F NMR

scientific article published on 26 August 2019

Extended barbaralanes: sigmatropic shiftamers or sigma-polyacenes?

scientific article published on 01 April 2004

Faster, Catalyst! React! React! Exploiting Computational Chemistry for Catalyst Development and Design

scientific article published in June 2016

Feasibility of intramolecular proton transfers in terpene biosynthesis--guiding principles

scientific article published on 19 March 2015

Formal [4 + 2] Cycloadditions of Anhydrides and α,β-Unsaturated N-Tosyl Ketimines

scientific article published on 05 February 2019

Formation of beyerene, kaurene, trachylobane, and atiserene diterpenes by rearrangements that avoid secondary carbocations

scientific article published in April 2010

Fusing cubanes to 1,5-hexadiene

scientific article published on 17 July 2012

Helicoid shiftamers

scientific article published on 01 June 2002

How cyclobutanes are assembled in nature--insights from quantum chemistry.

scientific article published on July 2014

Insight into the Mechanism of Phenylacetate Decarboxylase (PhdB), a Toluene-Producing Glycyl Radical Enzyme

scientific article published on 07 November 2019

Intramolecular Chirality Transfer [2 + 2] Cycloadditions of Allenoates and Alkenes

scientific article published on 07 July 2017

Is a 1,4-Alkyl Shift Involved in the Biosynthesis of Ledol and Viridiflorol?

scientific article published on 9 March 2017

Matching active site and substrate structures for an RNA editing reaction

scientific article published in August 2009

Mechanism of Rh2(II)-Catalyzed Indole Formation: The Catalyst Does Not Control Product Selectivity

scientific article

Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.

scientific article published on 06 July 2017

Mechanistic studies of copper(I)-catalyzed 1,3-halogen migration

scientific article

Multicomponent assembly of highly substituted indoles by dual palladium-catalyzed coupling reactions

scientific article

N-N Bond Formation between Primary Amines and Nitrosos: Direct Synthesis of 2-Substituted Indazolones with Mechanistic Insights

scientific article published on 01 August 2018

Navigating Past a Fork in the Road: Carbocation-π Interactions Can Manipulate Dynamic Behavior of Reactions Facing Post-Transition-State Bifurcations.

scientific article

Nonamethylcyclopentyl cation rearrangement mysteries solved

scientific article published on 27 March 2013

Nonclassical ammonium ions as intermediates in cinchona alkaloid rearrangements?

scientific article published on 14 February 2020

Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C3) Sequences: Scope, Limitation, and Computational Investigations

scientific article published on 26 July 2018

Pentalenene formation mechanisms redux

scientific article

Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions

scientific article published on 04 October 2018

Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases-Bornyl Diphosphate Synthase as a Representative Case

scientific article published on 08 March 2018

Predicting Rearrangement-Competent Terpenoid Oxidation Levels

scientific article published on 19 March 2020

Prediction of 19F NMR Chemical Shifts for Fluorinated Aromatic Compounds.

scientific article published on 26 February 2018

Prediction of a new pathway to presilphiperfolanol

scientific article published on 30 September 2008

Premutilin Synthase: Ring Rearrangement by a Class II Diterpene Cyclase.

scientific article published in February 2018

Pronounced steric effects of substituents in the nazarov cyclization of aryl dienyl ketones

scientific article

Prospecting for a 5-center 4-electron (C- - -H- - -C- - -H- - -C)+ bonding array

scientific article published in April 2003

Proton sandwiches: nonclassical carbocations with tetracoordinate protons

scientific article published in April 2005

Pushing the limits of concertedness. A waltz of wandering carbocations.

scientific article

Quantum Chemistry Calculations for Metabolomics

scientific article published in 2021

Questions in natural products synthesis research that can (and cannot) be answered using computational chemistry

scientific article published on 01 October 2018

Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position

scientific article published on 03 May 2021

Re-examining the mechanisms of competing pericyclic reactions of 1,3,7-octatriene

scientific article

Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity

article

Reconsidering the Structure of Serlyticin-A

scientific article published on 16 December 2019

Sandwich compounds of transition metals with cyclopolyenes and isolobal boron analogues

scientific article published on 01 February 2010

Second order Jahn-Teller interactions at unusually high molecular orbital energy separations

scientific article published on 01 April 2020

Secondary Carbocations in the Biosynthesis of Pupukeanane Sesquiterpenes

scientific article published on 27 September 2018

Short interfering RNA guide strand modifiers from computational screening.

scientific article

Sigmatropic shiftamers: fluxionality in broken ladderane polymers

scientific article published on 01 March 2002

Snakes and ladders. The sigmatropic shiftamer concept

scientific article published on July 2006

Solvent optimization and conformational flexibility effects on 1 H and 13 C NMR scaling factors

scientific article published on 28 December 2019

Speeding Up Sigmatropic Shifts-To Halve or to Hold

scientific article

Stereocontrol in a combined allylic azide rearrangement and intramolecular Schmidt reaction

scientific article published on 10 April 2012

Structure and Computational Basis for Backbone Rearrangement in Marine Oxasqualenoids

scientific article published on 28 December 2020

Synthesis and Optoelectronic Properties of New Methoxy-Substituted Diketopyrrolopyrrole Polymers

scientific article published on 30 May 2019

Synthesis and Structure Revision of Dichrocephones A and B.

scientific article

Synthesis and Utility of Dihydropyridine Boronic Esters.

scientific article

Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach

scientific article published on 08 November 2017

Synthesis of Spirobicyclic Pyrazoles by Intramolecular Dipolar Cycloadditions/[1s, 5s] Sigmatropic Rearrangements

scientific article published on 05 September 2019

Systematic Functional Analysis of Active-Site Residues in l-Threonine Dehydrogenase from Thermoplasma volcanium

scientific article published on 07 July 2017

The Importance of Methyl Positioning and Tautomeric Equilibria for Imidazole Nucleophilicity

scientific article published on 6 September 2016

The carbocation continuum in terpene biosynthesis--where are the secondary cations?

scientific article published on 04 May 2010

The catalytic effect of the NH3 base on the chemical events in the caryolene-forming carbocation cascade

scientific article published on 2 February 2016

The correct structure of aquatolide-experimental validation of a theoretically-predicted structural revision

scientific article published on 5 November 2012

The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis

scientific article published on 15 September 2015

The many roles of quantum chemical predictions in synthetic organic chemistry.

scientific article published on 27 December 2013

The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface

scientific article published on 06 May 2011

The taxadiene-forming carbocation cascade

scientific article published on 26 October 2011

The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

article by James B. McAlpine et al published 13 July 2018 in Natural Product Reports

Theoretical and experimental analysis of the reaction mechanism of MrTPS2, a triquinane-forming sesquiterpene synthase from chamomile

scientific article

Theoretical calculations on carbocations involved in the biosynthesis of bergamotenes and related terpenes--the same and not the same

scientific article

Theoretical studies on farnesyl cation cyclization: pathways to pentalenene

scientific article published in May 2006

Tipping the balance: theoretical interrogation of divergent extended heterolytic fragmentations

scientific article published on 09 January 2020

Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors

scientific article

Total synthesis of oxidized welwitindolinones and (-)-N-methylwelwitindolinone C isonitrile

scientific article published on 11 January 2012

Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis

scientific article published in January 2002

Transition-state complexation in palladium-promoted [3,3] sigmatropic shifts

scientific article

Trapping and Electron Paramagnetic Resonance Characterization of the 5'dAdo• Radical in a Radical S-Adenosyl Methionine Enzyme Reaction with a Non-Native Substrate

scientific article published on 25 September 2019

Using 1H and 13C NMR chemical shifts to determine cyclic peptide conformations: a combined molecular dynamics and quantum mechanics approach

scientific article published on 01 May 2018

Using theory and experiment to discover catalysts for electrocyclizations

scientific article published on 01 January 2009

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