Results 151 to 160 of about 408,933 (280)

Benefits of Categorizing Noncovalent Bonds Based on Hydrogen, Halogen, Chalcogen, and Pnictogen Bonds

open access: yesAngewandte Chemie, EarlyView.
A terminology for electrophile‐nucleophile interactions based on names that refer to the electrophile group/atom may offer the advantage to be descriptive, consistent, complete, systematic, clear, and, most important, invariant. Likely, a terminology that employs only the terms σ‐hole bond, π‐hole bond, and p‐hole bond may not.
Andrea Pizzi   +5 more
wiley   +2 more sources

Photocatalytic Cross‐Coupling of Phenols and Heteroaryl Halides With Machine Learning‐Guided Reaction Prediction

open access: yesAngewandte Chemie, EarlyView.
Photocatalytic cross‐coupling: A redox‐neutral photochemical method enables direct C(sp2)─C(sp2) bond formation between phenols and heteroaryl halides using an organic dye and base. Complementary radical generation allows efficient cross‐coupling in up to 91% yield. Mechanistic studies, DFT, HTE, and machine learning rationalize and predict reactivity,
Matthew C. Carson   +4 more
wiley   +2 more sources

Automated microbatch-under-oil phase diagrams to rationalize serial crystallography sample preparation. [PDF]

open access: yesIUCrJ
Stubbs J   +7 more
europepmc   +1 more source

Structural Mechanism of an Efficacy Photoswitch Targeting the β2‐adrenergic Receptor

open access: yesAngewandte Chemie International Edition, EarlyView.
Time‐resolved structures from x‐ray free‐electron laser measurements combined with cellular assays demonstrate how the photoswitchable β‐blocker photoazolol‐1 acts as an efficacy switch of β2‐adrenergic receptor function. Light‐induced ligand repositioning shifts activity from inverse agonism toward neutral antagonism by altering local helical ...
Robin Stipp   +29 more
wiley   +1 more source

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