Results 51 to 60 of about 166,235 (318)
Advanced Science, EarlyView.A targeted metabologenomic strategy integrating genomic and metabolomic hallmarks enabled the discovery of two new thioamides, thiogochangamides A and B, from bacteria. Their absolute configurations, previously unresolved within the thioviridamide family, were fully assigned through various chemical derivatizations and computational analysis ...
Young Eun Du +18 more
wiley +1 more source
Angewandte Chemie, EarlyView.Rh‐catalyzed chemodivergent parallel kinetic resolution of racemic 1,6‐enynes with α‐fluoroacrylamides or mixtures of different acrylamides proceeded via [2+2+2] cycloaddition and C–H alkylation to afford structurally and stereochemically distinct products with high selectivity under mild conditions.
Shintaro Hamada +5 more
wiley +2 more sources
Molecules, 2019 Phyllanthus orbicularis (Phyllanthaceae) is an endemic evergreen tropical plant of Cuba that grows in the western part of the island and is used in traditional medicine as an infusion.
Antonio Francioso +8 more
doaj +1 more source
Ipertrofan Revisited—The Proposal of the Complete Stereochemistry of Mepartricin A and B
Molecules, 2021 Being a methyl ester of partricin, the mepartricin complex is the active substance of a drug called Ipertrofan (Tricandil), which was proven to be useful in treatment of benign prostatic hyperplasia and chronic nonbacterial prostatitis/chronic pelvic ...
Paweł Szczeblewski +5 more
doaj +1 more source
Prediction of Stereochemistry using Q2MM
Accounts of Chemical Research, 2016 Conspectus The standard method of screening ligands for selectivity in asymmetric, transition metal-catalyzed reactions requires experimental testing of hundreds of ligands from ligand libraries.
E. Hansen +4 more
semanticscholar +1 more source
Stereoisomerism in pentaerythritol-bridged cyclotriphosphazene tri-spiranes: spiro and ansa 1,3-propanediyldioxy disubstituted derivatives [PDF]
, 2005 Four isomeric products were isolated and purified from the reaction of 1,3-propanediol with the tetra-spirane cyclophosphazene-organophosphate compound (1): viz. the di-monospiro (2a), di-monoansa (2b) and two monospiro-monoansa derivatives (2c) and (2d).
Aylin, U. +6 more
core +1 more source
Multimodal Cross‐Attentive Graph‐Based Framework for Predicting In Vivo Endocrine Disruptors
Advanced Science, EarlyView.A multimodal cross‐attentive graph neural network integrates molecular graphs with androgen and estrogen adverse outcome pathway (AOP)–anchored in vitro assay signals to predict in vivo endocrine disruption. By fusing information on Tier‐1 AOP logits with chemical structures, the framework achieves high accuracy and provides assay‐traceable ...
Eder Soares de Almeida Santos +6 more
wiley +1 more source
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
Lancifodilactone G : insights about an unusually stable enol [PDF]
, 2008 From quantum mechanics calculations we confirm that the naturally occurring enol lancifodilactone G is stable over the keto form (by 2.6 kcal/mol in water), the only known stable aliphatic enol (devoid of conjugated or bulky aromatics and lacking a 1,3 ...
Chenoweth, D. M. +2 more
core +1 more source
Advanced Science, EarlyView.ABSTRACT Inositol pyrophosphates (PP‐InsPs) are central regulators of eukaryotic signaling events. While certain PP‐InsP isomers have been conclusively linked to the regulation of phosphate homeostasis through interaction with SPX domain‐containing proteins in plants, the functions of the recently discovered isomer 4/6‐PP‐InsP5 remain largely unknown ...
Kevin Ritter +10 more
wiley +1 more source