Investigating the Ligand‐Binding Properties of N‐arylbenzimidazoles as Novel Elastase Inhibitors
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]
Bibi S +5 more
europepmc +1 more source
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]
Parola I +5 more
europepmc +1 more source
Generation of NPT Entanglement from Nonclassical Photon Statistics [PDF]
J. Solomon Ivan +2 more
openalex +1 more source
Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries
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]
Tateyama H +12 more
europepmc +1 more source
Independent evaluation of the North East Hampshire and Farnham Vanguard. Using the Normalisation Process Theory [NPT] framework to evaluate a new care model [NCM]: the Happy Healthy at Home [HHH] Enhanced Recovery at Home [ER@H] [PDF]
Catherine Matheson-Monnet
openalex
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
Clinical observations of high-flow nasal cannula oxygenation in endobronchial ultrasound-guided transbronchial needle aspiration: a randomized controlled study. [PDF]
Yue F +9 more
europepmc +1 more source

