A complete chemical analysis of significant intermolecular interactions of l-Valine (L-Val) and l-Phenylalanine (L-Phe) with Mephenesin (MEPN) molecules in aqueous solution has been studied by different physicochemical methodologies at various temperatures ( = 298.15 K-313.15 K at an interval of 5 K) and concentrations (0.001 mol kg, 0.003 mol kg, 0.005 mol kg) of aqueous MEPN solution. The limiting apparent molar volume () and experimental slope () values are found from the equation of Masson, viscosity and -coefficient determined using the equation of Jones-Doles, molar refraction () and limiting molar refraction () derived by the Lorentz-Lorenz equation, express that in our experimental solution of amino acids (AAs) in aqueous MEPN, the solute-solvent interaction predominates over the solute-solute and solvent-solvent interactions for these ternary solutions. These are also justified by the measurement of various thermodynamic parameters, free energy of activation of viscous flow per mole of solvent() and solute (), activation of viscous flow of enthalpies () and entropies () The characteristics of structure-breaking of solutes in the aqueous drug solution have been identified by Hepler's method and value. The spectroscopic methods like UV-visible and proton-NMR studies help to explicate the strong AA-MEPN interactions in the solution phase and obtain a good correlation with theoretical studies. Theoretical investigations are checked to authenticate the experimental observations and according to both studies, L-Phe-MEPN interaction is greater than L-Val-MEPN interaction. The experimental and correlated research data are useful for the development of model combinations of AAs with drug molecules in pharmaceutical and medicinal chemistry.
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http://dx.doi.org/10.1016/j.heliyon.2023.e23562 | DOI Listing |
ACS Omega
January 2025
Department of Functional Materials, FZU - Institute of Physics - Czech Academy of Sciences, Na Slovance 1999/2, Prague 8 182 00, Czech Republic.
Here, we investigate the interactions between five representative gaseous analytes and two poly(ionic liquids) (PILs) based on the sulfopropyl acrylate polyanion in combination with the alkylphosphonium cations, P and P, and their nanocomposites with fullerenes (C, C) to reveal the potential of PILs as sensitive layers for gas sensors. The gaseous analytes were chosen based on their molecular size (all of them containing two carbon atoms) and variation of functional groups: alcohol (ethanol), nitrile (acetonitrile), aldehyde (acetaldehyde), halogenated alkane (bromoethane), and carboxylic acid (acetic acid). The six variations of PILs-PSPA (), PSPA + C ( + C), PSPA + C ( + C), and PSPA (), PSPA + C ( + C), PSPA + C ( + C)-were characterized by UV-vis and Raman spectroscopy, and their interactions with each gaseous analyte were studied using electrochemical impedance spectroscopy.
View Article and Find Full Text PDFACS Omega
January 2025
Department of Chemistry-BMC Biochemistry, University of Uppsala, Husargatan 3, Uppsala 75237, Sweden.
In this work, we present the synthesis, solid-state characterization, and studies of two pyrazole derivatives: 5-(2-methylphenoxy)-3-methyl-1-phenyl-1-pyrazole-4-carbaldehyde (I) and 5-(4-methylphenoxy)-3-methyl-1-phenyl-1-pyrazole-4-carbaldehyde (II). The molecular crystal properties, in terms of intermolecular hydrogen bonds and other weak interactions, are analyzed using single crystal X-ray diffraction. The Hirshfeld surfaces computational method is used to quantify the intermolecular interactions, density functional theory for theoretical structural optimization, and its comparison with the experimental structure and studies using docking and molecular dynamics studies of I and II with CDC7-kinase.
View Article and Find Full Text PDFChemistry
January 2025
IPHT: Leibniz-Institut fur Photonische Technologien, Institute for Physical Chemistry, Albert-Einstein-Str. 9, 07745, Jena, GERMANY.
In applications ranging from photon-energy conversion into electrical or chemical forms (such as photovoltaics or photocatalysis) to numerous sensor technologies based on organic solids, the role of supramolecular structures and chromophore interactions is crucial. This review comprehensively examines the critical intermolecular interactions between organic dyes and their impact on optical properties. We explore the range of changes in absorption or emission properties observed in molecular aggregates compared to single molecules.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
School of Environment and Energy, South China University of Technology, Guangzhou 510006 China; Guangdong Plant Fiber High-Valued Cleaning Utilization Engineering Technology Research Center, Guangzhou 510640 China. Electronic address:
Bimetallic catalysts have notable advantages in the field of persulfate activation owing to their intermetallic synergy. However, studies on stimulating the potential concentration effect through intermetallic coordination to enhance the electron transfer efficiency are limited. In this study, a cobalt (Co) and zinc (Zn) bimetallic yolk-shell structured high-efficiency peroxymonosulfate (PMS) catalyst (Z67@8-HCNF) was prepared by the derivatization of metal-organic backbone materials and was found to produce significant synergistic interactions between Co and Zn metals, which could be utilized to trigger the potential concentration effect to enhance the intermolecular electron transfer efficiency and achieve efficient PMS activation.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
School of Liquor and Food Engineering, Guizhou University, 550025 Guiyang, China; Science Center for Future Foods, Ministry of Education, Jiangnan University, Wuxi 214122, China; Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, Jiangnan University, Wuxi 214122, China. Electronic address:
A previous study showed that the by-product of square bamboo shoot processing was rich in protein and contained many essential amino acids good for health. Bamboo shoot protein (BSP) had great potential as a naturally occurring functional protein. However, the utilization of single plant protein is limited due to its unstable degradation and reduced bio-activity in the gastrointestinal tract.
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