How cyclobutanes are assembled in nature – insights from quantum chemistry

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

(2014) Young J. Hong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Caryolene-forming carbocation rearrangements

(2013) Quynh Nhu N Nguyen et al.   Beilstein Journal of Organic Chemistry

Theoretical and Experimental Analysis of the Reaction Mechanism of MrTPS2, a Triquinane-Forming Sesquiterpene Synthase from Chamomile

(2013) Young J. Hong et al.   CHEMISTRY-A EUROPEAN JOURNAL

Diterpenoids of terrestrial origin

(2013) James R. Hanson   NATURAL PRODUCT REPORTS

Natural sesquiterpenoids

(2013) Braulio M. Fraga   NATURAL PRODUCT REPORTS

Pentalenene formation mechanisms redux

(2013) Michael W. Lodewyk et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Total Syntheses of Cannabicyclol, Clusiacyclol A and B, Iso-Eriobrucinol A and B, and Eriobrucinol

(2013) Hyun-Suk Yeom et al.   ORGANIC LETTERS

Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius

(2013) Min Zhou et al.   ORGANIC LETTERS

Hippolachnin A, a New Antifungal Polyketide from the South China Sea Sponge Hippospongia lachne

(2013) Shu-Juan Piao et al.   ORGANIC LETTERS

Dendrowardols A and B, two new sesquiterpenoids from Dendrobium wardianum Warner

(2013) Wei-Wei Fan et al.   TETRAHEDRON LETTERS

Flueggedine, a novel axisymmetric indolizidine alkaloid dimer from Flueggea virosa

(2013) Bing-Xin Zhao et al.   TETRAHEDRON LETTERS

Analogies between Synthetic and Biosynthetic Reactions in Which [1,2]-Alkyl Shifts Are Combined with Other Events: Dyotropic, Schmidt, and Carbocation Rearrangements

(2012) Osvaldo Gutierrez et al.   JOURNAL OF ORGANIC CHEMISTRY

Electrostatically Guided Dynamics—The Root of Fidelity in a Promiscuous Terpene Synthase?

(2012) Dan Thomas Major et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Correct Structure of Aquatolide—Experimental Validation of a Theoretically-Predicted Structural Revision

(2012) Michael W. Lodewyk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Isotopically Sensitive Branching on Product Distribution for Pentalenene Synthase: Support for a Mechanism Predicted by Quantum Chemistry

(2012) Liansuo Zu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Attack of radicals and protons on ladderane lipids: quantum chemical calculations and biological implications

(2012) Dustin H. Nouri et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Gassman’s Cationic [2 + 2] Cycloadditions Using Temporary Tethers

(2012) Jun Deng et al.   ORGANIC LETTERS

Theoretical assessment of the viability of thermal [2+2] processes for formation of plumisclerin A

(2012) Vicky Sio et al.   TETRAHEDRON LETTERS

Photochemical Reactions as Key Steps in Natural Product Synthesis

(2011) Thorsten Bach et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cyclobutanes in Catalysis

(2011) Tobias Seiser et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2011) Young J. Hong et al.   CHEMICAL COMMUNICATIONS

Biosynthesis via carbocations: Theoretical studies on terpene formation

(2011) Dean J. Tantillo   NATURAL PRODUCT REPORTS

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

(2010) Dean J. Tantillo   CHEMICAL SOCIETY REVIEWS

[2 + 2] Photocycloaddition of 2(5H)-Furanone to Unsaturated Compounds. Insights from First Principles Calculations and Transient-Absorption Measurements

(2010) J. R. Cucarull-González et al.   JOURNAL OF ORGANIC CHEMISTRY

Challenges Posed to Bornyl Diphosphate Synthase: Diverging Reaction Mechanisms in Monoterpenes

(2010) Michal Weitman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum chemical dissection of the classic terpinyl/pinyl/bornyl/camphyl cation conundrum—the role of pyrophosphate in manipulating pathways to monoterpenes

(2010) Young J. Hong et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Plumisclerin A, a Diterpene with a New Skeleton from the Soft CoralPlumigorgia terminosclera

(2010) María Jesús Martín et al.   ORGANIC LETTERS

Dyotropic Reactions: Mechanisms and Synthetic Applications†

(2009) Israel Fernández et al.   CHEMICAL REVIEWS

A potential energy surface bifurcation in terpene biosynthesis

(2009) Young J. Hong et al.   Nature Chemistry

Modes of inactivation of trichodiene synthase by a cyclopropane-containing farnesyldiphosphate analog

(2009) Young J. Hong et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Unusual reaction of allylic systems: homo- and cross-cyclizations leading to four-carbon rings

(2009) Renata Siedlecka   TETRAHEDRON

Bifurcations on Potential Energy Surfaces of Organic Reactions

(2008) Daniel H. Ess et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational Studies on Biosynthetic Carbocation Rearrangements Leading to Sativene, Cyclosativene, α-Ylangene, and β-Ylangene

(2008) Michael W. Lodewyk et al.   JOURNAL OF ORGANIC CHEMISTRY

Recent excursions to the borderlands between the realms of concerted and stepwise: carbocation cascades in natural products biosynthesis

(2008) Dean J. Tantillo   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Control Elements in Dynamically Determined Selectivity on a Bifurcating Surface

(2008) Jacqueline B. Thomas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The chemistry of marine furanocembranoids, pseudopteranes, gersolanes, and related natural products

(2008) Paul A. Roethle et al.   NATURAL PRODUCT REPORTS

Gassman’s Intramolecular [2 + 2] Cationic Cycloaddition. Formal Total Syntheses of Raikovenal andepi-Raikovenal

(2008) Changhong Ko et al.   ORGANIC LETTERS

Prediction of a New Pathway to Presilphiperfolanol

(2008) Selina C. Wang et al.   ORGANIC LETTERS

Total synthesis of artochamins F, H, I, and J through cascade reactions

(2008) K.C. Nicolaou et al.   TETRAHEDRON

Sigmatropic shifts and cycloadditions on neutral, cationic, and anionic pentadienyl+butadiene potential energy surfaces

(2008) Dustin H. Nouri et al.   TETRAHEDRON