The ionic selectivity of the bacterial porin OmpF has been investigated in several chloride salts of alkali metal cations under a wide range of concentration ratios. We report a novel way of studying the several factors contributing to ionic selectivity of large channels: measuring reversal potential beyond the gradients commonly used in channel selectivity experiments, i.e., over 50-fold salt concentration ratios. Our results reveal an additional channel feature slipped by in previous studies: the interaction of mobile ions with the protein channel transforms noticeably the ion intrinsic diffusivities. The cation/anion diffusivity ratios in the channel are approximately half of their bulk values for all alkali metal cations studied (KCl, NaCl, LiCl, and CsCl). The binding of cations to certain acidic channel residues is likely to be involved, and its contribution is essential to account for the observed traits. A simple molecular model based on statistical thermodynamics provides qualitative explanations to the experimental findings and can be useful for future, more elaborated treatments.
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http://dx.doi.org/10.1021/jp902267g | DOI Listing |
Mol Pharm
January 2025
Department of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27402, United States.
The fungal metabolite verticillin A is a potent and selective histone methyltransferase inhibitor. It regulates apoptosis, the cell cycle, and stress response, and displays potent activity in the suppression of tumor cell growth in several different in vivo models. Verticillin A sensitizes pancreatic cancer cells to anti-PD-1 immunotherapy by regulating PD-L1 expression.
View Article and Find Full Text PDFPharmaceutics
December 2024
Faculty of Pharmaceutical Sciences, Josai International University, 1 Gumyo, Togane 283-8555, Chiba, Japan.
: Laurocapram (Azone) attracted attention 40 years ago as a compound with the highest skin-penetration-enhancing effect at that time; however, its development was shelved due to strong skin irritation. We had already prepared and tested an ante-enhancer (IL-Azone), an ionic liquid (IL) with a similar structure to Azone, consisting of ε-caprolactam and myristic acid, as an enhancer candidate that maintains the high skin-penetration-enhancing effect of Azone with low skin irritation. In the present study, fatty acids with different carbon numbers (caprylic acid: C8, capric acid: C10, lauric acid: C12, myristic acid: C14, and oleic acid: C18:1) were selected and used with ε-caprolactam to prepare various IL-Azones in the search for a more effective IL-Azone.
View Article and Find Full Text PDFMolecules
January 2025
Department of Chemistry, Sapienza University of Rome, P. le Aldo Moro 5, 00185 Rome, Italy.
In this paper, we present a molecular dynamics study of the structural and dynamical properties of γ-valerolactone (GVL) both as a standalone solvent and in electrolyte formulations for electrochemistry applications. This study involves developing a new parameterization of a polarizable forcefield and applying it to simulate pure GVL and selected salt solutions. The forcefield was validated with experimental bulk data and quantum mechanical calculations, with excellent agreement obtained in both cases.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Immunology Laboratory (UMF), Facultad de Estudios Superiores Iztacala, Universidad Nacional Autónoma de México, Los Barrios No. 1, Los Reyes Iztacala, Tlalnepantla 54090, Mexico.
Sertraline, a selective serotonin reuptake inhibitor (SSRI), is commonly used to treat various psychiatric disorders such as depression and anxiety due to its ability to increase serotonin availability in the brain. Recent findings suggest that sertraline may also influence the expression of genes related to synaptic plasticity and neuronal signaling pathways. Alternative splicing, a process that allows a single gene to produce multiple protein isoforms, plays a crucial role in the regulation of neuronal functions and plasticity.
View Article and Find Full Text PDFGels
January 2025
Institute of Natural Sciences and Technosphere Safety, Sakhalin State University, Sakhalin Region, 693000 Yuzhno-Sakhalinsk, Sakhalin Oblast, Russia.
Composite adsorbents based on a natural biopolymer matrix of chitosan, to which 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide and its Se derivative were attached, were synthesized. A complex of physicochemical analysis methods indicates that the direct introduction of a matrix with high ionic permeability into the reaction mixture contributes to the formation of homogeneous particles of composite with developed surface morphology, which enhances the kinetic and capacitive parameters of uranium sorption in liquid media. It has been established that the direct introduction of a matrix with high ionic permeability into the reaction mixture contributes to the formation of homogeneous particles with a developed surface morphology, which enhances the kinetic and capacitive parameters of uranium sorption in liquid media.
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