Results 171 to 180 of about 26,162 (241)

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

open access: yesAngewandte Chemie, Volume 138, Issue 16, 13 April 2026.
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

Efficient Machine Learning Prediction of Solvent‐Dependent 1H$$ {}^1\mathrm{H} $$ NMR Chemical Shifts in Zinc Complexes

open access: yesJournal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
Machine learning approach (ML) for rapid and accurate prediction of 1H‐NMR shifts in zinc complexes validated against experimental NMR data across multiple solvent environments. ABSTRACT Accurate prediction of NMR chemical shifts in transition metal complexes remains challenging due to the wide range of coordination environments and complex electronic ...
Jyothika R. Pillay   +5 more
wiley   +1 more source

2‐Phenylquinolines Exhibit Anti‐Severe Acute Respiratory Syndrome Coronavirus‐2 Activity Through the Nonstructural Protein 13 Helicase Inhibition

open access: yesChemMedChem, Volume 21, Issue 7, 14 April 2026.
A SAR study led to the identification of new 2‐phenylquinoline‐based derivatives that exhibit anti‐Severe Acute Respiratory Syndrome Coronavirus‐2 (SARS‐CoV‐2) activity by acting as ATP‐competitive inhibitors of nonstructural protein 13 (nsp13) helicase.
Giada Cernicchi   +24 more
wiley   +1 more source

Scalable Access to N‑Acylindole Linkages: Enabling the Synthesis of Antitrypanosomal Noncanonical Cyclic Peptides for Chagas Disease

open access: yesAngewandte Chemie, Volume 138, Issue 15, 6 April 2026.
A gram‐scale supply of bulbiferamide A, which features a rare N‐acylindole linkage and possesses potent inhibitory activity against Trypanosoma cruzi epimastigotes (IC50 = 4.1 µM)—the causative parasite of Chagas disease—was successfully achieved. Moreover, the cyclization strategy developed in this study facilitated the synthesis of noncanonical ...
Jie Zhang, Hugh Nakamura
wiley   +2 more sources

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