Investigation into 9(S)-HPODE-derived allene oxide to cyclopentenone cyclization mechanism via diradical oxyallyl intermediates

Accounting for Diradical Character through DFT. The Case of Vinyl Allene Oxide Rearrangement

(2015) Roberto Villar López et al.   JOURNAL OF ORGANIC CHEMISTRY

A unifying mechanism for the rearrangement of vinyl allene oxide geometric isomers to cyclopentenones

(2014) Adán B. González-Pérez et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Energetics of the biosynthesis of cyclopentenones from unsaturated fatty acids

(2014) Gérard Audran et al.   TETRAHEDRON

Isolation and Characterization of Two Geometric Allene Oxide Isomers Synthesized from 9S-Hydroperoxylinoleic Acid by Cytochrome P450 CYP74C3

(2013) Alan R. Brash et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity

(2012) P. Neumann et al.   PLANT PHYSIOLOGY

Novel Allene Oxide Synthase Products Formed via Favorskii-Type Rearrangement: Mechanistic Implications for 12-Oxo-10,15-phytodienoic Acid Biosynthesis

(2011) Alexander N. Grechkin et al.   CHEMBIOCHEM

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

(2011) Takatoshi Ichino et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Oxyallyl Exposed: An Open-Shell Singlet with Picosecond Lifetimes in Solution but Persistent in Crystals of a Cyclobutanedione Precursor

(2011) Gregory Kuzmanich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic Structure and Spectroscopy of Oxyallyl: A Theoretical Study

(2010) Vadim Mozhayskiy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Lowest Singlet and Triplet States of the Oxyallyl Diradical

(2009) Takatoshi Ichino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evidence for an Ionic Intermediate in the Transformation of Fatty Acid Hydroperoxide by a Catalase-related Allene Oxide Synthase from the CyanobacteriumAcaryochloris marina

(2009) Benlian Gao et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Enzymes in jasmonate biosynthesis – Structure, function, regulation

(2009) Andreas Schaller et al.   PHYTOCHEMISTRY

Tomato CYP74C3 is a Multifunctional Enzyme not only Synthesizing Allene Oxide but also Catalyzing its Hydrolysis and Cyclization

(2008) Alexander N. Grechkin et al.   CHEMBIOCHEM

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS