Results 151 to 160 of about 39,133 (289)

Investigating the Ligand‐Binding Properties of N‐arylbenzimidazoles as Novel Elastase Inhibitors

open access: yesChemMedChem, EarlyView.
A series of novel N‐[(3,5‐dimethylphenyl)methyl]‐1H‐benzimidazole derivatives is designed, synthesized, and evaluated for inhibitory activity against elastase. Several compounds demonstrate an antielastase activity, including the N‐(2‐bromophenyl)‐2‐(6‐chloro‐1‐(3,5‐dimethylbenzyl)‐1H‐benzo[d]imidazol‐2‐ylthio)acetamide, showing the greatest potency ...
Giovanna Pitasi   +6 more
wiley   +1 more source

Resilience in aridity: from biomass reduction to antioxidant accumulation in sewan grass. [PDF]

open access: yesBMC Plant Biol
Bibi S   +5 more
europepmc   +1 more source

Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N‐Dimethylformamide‐Water Solvents: A Molecular Dynamics Approach

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
wiley   +1 more source

Real-Life Challenges in Assessing Nutritional Status and Quality of Life in Patients with Cirrhosis. [PDF]

open access: yesDiagnostics (Basel)
Parola I   +5 more
europepmc   +1 more source

Generation of NPT Entanglement from Nonclassical Photon Statistics [PDF]

open access: green, 2006
J. Solomon Ivan   +2 more
openalex   +1 more source

Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries

open access: yesEcoEnergy, EarlyView.
Multiscale analyses are adopted to demystify the interaction and regularize the mechanism of ligand regulation for solvation by the methods of quantum chemistry, molecular dynamics, and wavefunction analyses. ABSTRACT Transition‐metal‐based aqueous batteries, particularly iron and zinc‐based systems, have emerged as promising candidates for energy ...
Yuxi Song   +7 more
wiley   +1 more source

Single-Determinant Ground State in Ce<sup>4+</sup> Imidophosphorane Complexes. [PDF]

open access: yesInorg Chem
Tateyama H   +12 more
europepmc   +1 more source

Organic Electrolyte Composed of Strongly and Weakly Coordinating Molecules for Sodium‐Ion Battery. A Molecular Dynamics Simulation Study

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Molecular dynamics simulations reveal that the addition of weakly coordinating solvents disrupts stable Na+ solvation with various coordinating configurations, accelerating solvents exchange and promoting Na+ migration. The optimized electrolyte achieves the highest ionic conductivity as well as the fractional ionic conductivity of Na+ of 3.68 ± 0.36 ...
Hongjin Li   +6 more
wiley   +1 more source

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