Results 11 to 20 of about 167,233 (404)

Stereochemistry of the Brivaracetam Diastereoisomers [PDF]

Chirality, 2016
AbstractThe stereochemistry of all four stereoisomers of brivaracetam was determined using vibrational circular dichroism (VCD) spectroscopy. By comparing experimentally obtained VCD spectra and computationally simulated ones, the absolute configurations can be confidently assigned without prior knowledge of their relative stereochemistry.
Qiu, Shi, Tehrani, Kourosch Abbaspour, Sergeyev, Sergey, Bultinck, Patrick, Herrebout, Wouter, Mathieu, Benoit   +5 more
openaire   +5 more sources

A New E-Series Resolvin: RvE4 Stereochemistry and Function in Efferocytosis of Inflammation-Resolution

Frontiers in Immunology, 2021
The resolution of the acute inflammatory response is governed by phagocytes actively clearing apoptotic cells and pathogens. Biosynthesis of the specialized pro-resolving mediators (SPMs) is pivotal in the resolution of inflammation via their roles in ...
Stephania Libreros, A. Shay, Robert Nshimiyimana, David Fichtner, Michael J. Martin, Nicholas Wourms, C. Serhan   +6 more
semanticscholar   +1 more source

Nucleophilic Substitution at Heteroatoms—Identity Substitution Reactions at Phosphorus and Sulfur Centers: Do They Proceed in a Concerted (S_N2) or Stepwise (A–E) Way?

Molecules, 2022
The mechanisms of three selected identity substitution reactions at phosphorus and sulfur occurring with stereospecific inversion have been investigated using density functional theory (DFT).
Marian Mikołajczyk, Marek Cypryk, Bartłomiej Gostyński, Jakub Kowalczewski   +3 more
doaj   +1 more source

Synthesis of cyclopropanes via organoiron methodology: stereoselective preparation of cis-2-(2’-carboxycyclopropyl)glycine [PDF]

, 2002
A stereoselective route to cis-2-(2′-carboxycyclopropyl)glycine has been developed. exo-Nucleophilic addition to the (bicyclo[5.1.0]octadienyl)iron(1+) cation establishes the relative stereochemistry at the cyclopropane ring and the α-stereocenter ...
Donaldson, William, Wallock, Nathaniel J
core   +2 more sources

Synthesis and Oxidative Transformations of New Chiral Pinane-Type γ-Ketothiols: Stereochemical Features of Reactions

Molecules, 2021
Chiral γ-ketothiols, thioacetates, thiobenzoate, disulfides, sulfones, thiosulfonates, and sulfonic acids were obtained from β-pinene for the first time.
Olga M. Lezina, Svetlana N. Subbotina, Larisa L. Frolova, Svetlana A. Rubtsova, Denis V. Sudarikov   +4 more
doaj   +1 more source

Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene [PDF]

, 2000
Using femtosecond-resolved mass spectrometry in a molecular beam, we report real-time study of the hydrogen elimination reaction of 1,4-cyclohexadiene. The experimental observation of the ultrafast stepwise H-elimination elucidates the reaction dynamics ...
De Feyter, Steven, Diau, Eric W.-G., Zewail, Ahmed H.   +2 more
core   +1 more source

X-ray Diffraction, Electronic Circular Dichroism, and Quantum Mechanics (TD-DFT) Investigations on 4 Dehydroxyaltersolanol A, a Secondary Metabolite from Endophytic Fungus Nigrospora oryzae [PDF]

Research Journal of Pharmacognosy
Background and objectives: A tetrahydro anthraquinone derivative, 4-dehydroxyaltersolanol A, has been obtained from Nigrospora oryzae, which was isolated from Uncaria borneensis Havil as an endophytic fungus.
Fatimah Bebe Mohamed Hussain, Sadia Sultan*, Imene Bayach, Humera Naz, Gurmeet Kaur Surindar Singh, Syed Adnan Ali Shah, Kamran Ashraf, Fatimah Saleem, Jean-Frédéric Faizal Weber   +8 more
doaj   +1 more source

Electron Lone-Pairs Stereochemistry and Drastic van der Waals and Pressure Effects in AsF₃ from First Principles

Condensed Matter, 2021
AsF3E as a representative of a molecular crystal has been chosen to find the precise localization of the lone pair (LP) E centroid 4s2 of As3+ and to enlighten the behavior of lone pair triplets of fluorine atoms. Starting from stereochemistry rationale,
Jean Galy, Samir F. Matar
doaj   +1 more source

RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application

Journal of Chemical Information and Modeling, 2019
There is a renewed interest in computer-aided synthesis planning, where the vast majority of approaches require the application of retrosynthetic reaction templates.
Connor W. Coley, W. Green, K. Jensen
semanticscholar   +1 more source

Organic chemistry lecture course and exercises based on true scale models

Chemistry Teacher International, 2020
3D models of chemical structures are an important tool for chemistry lectures and exercises. Usually, simplified models based on standard bond length and angles are used.
Lederle Felix, Hübner Eike G.
doaj   +1 more source