Results 191 to 200 of about 19,081 (217)

Non‐Bivariational Time‐Dependent Orbital‐Quasi‐Optimized Coupled‐Cluster Methods Family for Fermion‐Mixtures Dynamics

open access: yesJournal of Computational Chemistry, Volume 47, Issue 22, August 15, 2026.
ABSTRACT Recently, [JCP 161, 114114 (2024)] successfully derived numerically stable and converging (to the time‐dependent complete active space self‐consistent‐field) time‐dependent orthogonal coupled cluster (CC) methods, namely, time‐dependent orbital optimized CC (TD‐ooCC) methods for fermion‐mixtures with arbitrary fermion kinds and numbers, via ...
Haifeng Lang, Takeshi Sato
wiley   +1 more source

HetCA/STOCSY‐Guided Dereplication of Artemisia arborescens Reveals Furofuran Lignans with Antileishmanial Effects

open access: yesChemMedChem, Volume 21, Issue 15, 14 August 2026.
Bioactive metabolites can remain hidden in negligible activity extracts. A statistical spectroscopy–driven dereplication workflow integrating the HeteroCovariance Approach (HetCA) and Statistical Total Correlation Spectroscopy (STOCSY) prioritized furofuran lignans in Artemisia arborescens, identifying three compounds with moderate antileishmanial ...
Olga Karoutzou   +6 more
wiley   +1 more source

Extending Cofactor‐Tethered Nanomachines to Complex Multienzyme Redox Cascades in Continuous Flow

open access: yesChemSusChem, Volume 19, Issue 15, 14 August 2026.
Engineered enzyme fusions bearing covalently tethered PEG–nicotinamide cofactors enable intramolecular cofactor retention and recycling within self‐sufficient biocatalytic nanomachines. These nanomachines support cofactor‐autonomous operation of complex redox multienzyme cascades under continuous‐flow conditions, as demonstrated in a 10‐step glucose‐to‐
Zinnia Dsouza   +4 more
wiley   +1 more source
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