Search Results - "Hess, B. Andes"

Computational studies on the sterol-like cyclization of a monodomain class II terpene cyclase by Hess, Jr, B Andes, Piel, Jörn, Smentek, Lidia

“…Recently the first example of a class II terpene cyclase comprised of only a single domain was reported. Class II synthases are a diverse group of enzymes that…”
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Biosynthetic Mechanism of Lanosterol: Cyclization by Chen, Nanhao, Wang, Shenglong, Smentek, Lidia, Hess Jr, B. Andes, Wu, Ruibo

“…The remarkable cyclization mechanism of the formation of the 6‐6‐6‐5 tetracyclic lanosterol (a key triterpenoid intermediate in the biosynthesis of…”
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Re: Nobuaki Matsubara, Kim N. Chi, Mustafa Özgüroğlu, et al. Correlation of Prostate-specific Antigen Kinetics with Overall Survival and Radiological Progression-free Survival in Metastatic Castration-sensitive Prostate Cancer Treated with Abiraterone Acetate plus Prednisone or Placebos Added to Androgen Deprivation Therapy: Post Hoc Analysis of Phase 3 LATITUDE Study. Eur Urol. 2020:77:494–500. https://doi.org/10.1016/j.eururo.2019.11.021 by Hess, B. Andes

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Concerted, highly asynchronous, enzyme-catalyzed [4 + 2] cycloaddition in the biosynthesis of spinosyn A; computational evidence by Hess, Jr, B Andes, Smentek, Lidia

“…A theoretical study has been carried out on model systems to study a recently reported, (Nature, 2011, 473, 109) biosynthetic, [4 + 2] cycloaddition catalyzed…”
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The Concerted Nature of the Cyclization of Squalene Oxide to the Protosterol Cation by Hess Jr, B. Andes, Smentek, Lidia

“…Concerted A–C ring formation: A concerted, but highly asynchronous, pathway was identified for the formation of rings A–C in the biosynthetic conversion of…”
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Quantitative exploration of the catalytic landscape separating divergent plant sesquiterpene synthases by Noel, Joseph P, O'Maille, Paul E, Malone, Arthur, Dellas, Nikki, Andes Hess, B, Smentek, Lidia, Sheehan, Iseult, Greenhagen, Bryan T, Chappell, Joe, Manning, Gerard

“…Throughout molecular evolution, organisms create assorted chemicals in response to varying ecological niches. Catalytic landscapes underlie metabolic…”
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Compelling Computational Evidence for the Concerted Cyclization of the ABC Rings of Hopene from Protonated Squalene by Smentek, Lidia, Hess, B. Andes

“…The long-standing question of what is the nature of the cyclization of squalene to form tetracyclic and pentacyclic triterpenes has been addressed…”
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Structural Elucidation of Cisoid and Transoid Cyclization Pathways of a Sesquiterpene Synthase Using 2-Fluorofarnesyl Diphosphates by Noel, Joseph P, Dellas, Nikki, Faraldos, Juan A, Zhao, Marylin, Hess, B. Andes, Smentek, Lidia, Coates, Robert M, O’Maille, Paul E

“…Sesquiterpene skeletal complexity in nature originates from the enzyme-catalyzed ionization of (trans,trans)-farnesyl diphosphate (FPP) (1a) and subsequent…”
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Concomitant C-Ring Expansion and D-Ring Formation in Lanosterol Biosynthesis from Squalene without Violation of Markovnikov's Rule by Hess, B. Andes

“…A mechanism is proposed for the formation of the C and D rings of lanosterol from squalene on the basis of density functional calculations of a model…”
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Discovering a uniform functional trade-off of the CBC-type 2,3-oxidosqualene cyclases and deciphering its chemical logic by Zhang, Fan, Wang, Yunpeng, Yue, Jingyang, Zhang, Rongrong, Hu, Yong-Er, Huang, Ruoshi, Ji, Ai-Jia, Hess, Jr, B Andes, Liu, Zhongqiu, Duan, Lixin, Wu, Ruibo

“…Many functionally promiscuous plant 2,3-oxidosqualene cyclases (OSCs) have been found, but complete functional reshaping is rarely reported. In this study, we…”
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Comment on “Hess-Schaad Group Additivity Type Model Predicts Superaromaticity” by Hess, B. Andes

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Dewar Resonance Energy by Schaad, L. J, Hess, B. Andes

“…Schaad and Hess chronicle the early history of resonance energy and consider Dewar's theoretical predictor of aromaticity and its applications…”
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Role of the Antenna in Tissue Selective Probes Built of Lanthanide−Organic Chelates by Hess, B. Andes, Kȩdziorski, A, Smentek, L, Bornhop, D. J

“…The role of the antenna in the process of the host sensitized luminescence of the DOTA cage coordinated with the Eu ion is investigated. The analysis of the…”
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Physical Constraints on Sesquiterpene Diversity Arising from Cyclization of the Eudesm-5-yl Carbocation by Hess, B. Andes, Smentek, Lidia, Noel, Joseph P, O’Maille, Paul E

“…The biogenic origins of complex cyclic terpenes derive from the interplay of enzymes and the intrinsic reactivity of carbocation species at major branch-points…”
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Thermal [1,5] Hydrogen Sigmatropic Shifts in cis,cis-1,3-Cyclononadienes Probed by Gas-Phase Kinetic Studies and Density Functional Theory Calculations by Baldwin, John E, Raghavan, Anuradha S, Hess, B. Andes, Smentek, Lidia

“…The kinetics of gas-phase thermal [1,5] hydrogen shifts interconverting the five isomeric mono-deuterium-labeled cis,cis-1,3-cyclononadienes have been followed…”
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Computational studies on the cyclization of squalene to the steroids and hopenes by Hess, B Andes

“…A review of computational studies of the related biosyntheses of steroids and hopenes reported during the last two decades is presented. Computations in the…”
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Formation of the C Ring in the Lanosterol Biosynthesis from Squalene by Hess, B. Andes

“…Ab initio calculations were performed on a cyclohexane derivative to elucidate the mechanism of the formation of the five-membered C ring in the biosynthesis…”
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Concerted Nature of AB Ring Formation in the Enzymatic Cyclization of Squalene to Hopenes by Hess, B. Andes, Smentek, Lidia

“…The cyclization of the A−B rings of squalene to hopene is studied computationally (DFT). A transition structure is found for a concerted, asynchronous pathway…”
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Lewis Acid-Catalyzed One-Pot, Three-Component Route to Chiral 3,3‘-Bipyrroles by Dey, Sumit, Pal, Churala, Nandi, Debkumar, Giri, Venkatachalam Sesha, Zaidlewicz, Marek, Krzeminski, Marek, Smentek, Lidia, Hess, B. Andes, Gawronski, Jacek, Kwit, Marcin, Babu, N. Jagadeesh, Nangia, Ashwini, Jaisankar, Parasuraman

“…3,3‘-Bipyrroles 3 could be synthesized using a double Michael addition reaction involving diaroyl acetylene 1 and the appropriate 1,3-dicarbonyls 2 using…”
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[1,5] Sigmatropic Hydrogen Shifts in Cyclic 1,3-Dienes by Hess, B. Andes, Baldwin, John E

“…Density functional calculations have been carried out for [1,5] hydrogen shifts in 1,3-cycloalkadienes (cyclohexadiene, cycloheptadiene, and cyclooctadiene)…”
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