Results 211 to 220 of about 536,687 (331)

Rotenoids from the Roots of Vicia faba L. (Fabaceae): Structural Characterization, Cytotoxic Effects, and Molecular Docking

open access: yesChemistry &Biodiversity, EarlyView.
ABSTRACT The chemical study of the ethanolic extract from the roots of Vicia faba led to the isolation of two isoflavonoids, alfalone and 8‐O‐methylretusine, as well as a mixture of rotenoids, including clitoriacetal and clitoriacetal B, the latter of which is reported for the first time.
Victor Menezes Sipoloni   +8 more
wiley   +1 more source

The Azidofunctionalization of Alkenes

open access: yesChemistryEurope, EarlyView.
The azidofunctionalization of alkenes offers a powerful strategy for synthesizing nitrogen‐containing compounds by installing both an azide and a second functional group in one step. This approach, employing photoredox catalysis, transition metals, and radical methods, is efficient, selective, and versatile, with applications in pharmaceuticals and ...
Pierre Palamini, Jerome Waser
wiley   +1 more source

Layer Sliding‐Induced Fluorescence Changes in a Flexible Hydrogen‐Bonded Organic Framework

open access: yesChemistry – A European Journal, EarlyView.
A fluorescence color change from blue to green of pyrene‐based HOFs was achieved by the sliding of the H‐bonded 2D network layers. Single‐crystal XRD analysis revealed that the 2D‐layer sliding forms a pyrene dimer, which results in the green color of the HOF emission including the excimer contribution.
Taito Hashimoto   +5 more
wiley   +1 more source

MLPROP – An Interactive Web Interface for Thermophysical Property Prediction with Machine Learning

open access: yesChemie Ingenieur Technik, EarlyView.
MLPROP is an open‐access, web‐based interface for predicting thermophysical properties of pure substances and mixtures by machine learning models. Integrating GRAPPA, UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA, it enables accurate and accessible predictions of vapor pressures, activity coefficients, and vapor‐liquid equilibria without requiring users to ...
Marco Hoffmann   +4 more
wiley   +1 more source

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

open access: yesChemMedChem, EarlyView.
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah   +2 more
wiley   +1 more source

Beauty in a smile: the role of medial orbitofrontal cortex in facial attractiveness [PDF]

open access: green, 2003
John P. O’Doherty   +5 more
openalex   +1 more source

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