Volumetric, UV–Visible, and computational analysis of molecular interactions between L-ascorbic acid and L-histidine in aqueous solutions

doi:10.1016/j.molliq.2022.120839

淡江大學機構典藏 > 工學院 > 化學工程與材料工程學系暨研究所 > 期刊論文 > Item 987654321/123280

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题名:	Volumetric, UV–Visible, and computational analysis of molecular interactions between L-ascorbic acid and L-histidine in aqueous solutions
作者:	Amirchand, Khajuria Deepika;Banipal, Tarlok S.;Yang, Yan-Ling;Singh, Vickramjeet
关键词:	L-ascorbic acid;L-histidineVolumetric properties;Molecular dynamics simulations;Imidazole ring
日期:	2023-01-15
上传时间:	2023-04-28 17:30:47 (UTC+8)
出版者:	Elsevier BV
摘要:	In this work, we have performed the physiochemical, spectroscopic, and computational analysis of L-ascorbic acid (AA) in aqueous solutions of L-histidine (L-His). The physicochemical properties were evaluated by measuring density and speed of sound of AA in (0.01, 0.04, 0.08, and 0.12) mol.kg−1 aqueous L-His at temperatures (298.15 to 313.15) K. UV–Visible absorbance of AA was recorded by varying the concentration of L-His and the electrostatic interactions among these components were also evaluated by molecular dynamics. Derived thermodynamic parameters such as apparent molar volumes (V2ϕ), apparent molar isentropic compressibilities (Ks,2,ϕ), partial molar volumes and partial molar compressibilities at infinite dilution (V2° and K°s,2), Helper’s constants were calculated from density and speed of sound data. The experimental and computational results indicate the presence of strong hydrophilic-ionic types of interactions between AA and L-His in aqueous solutions. Studies of these interactions can help in understanding solvation behaviour of ascorbic acid, which is responsible for food flavoring and aroma owing to formation of Maillard reaction products.
關聯:	Journal of Molecular Liquids 370, 120839
DOI:	10.1016/j.molliq.2022.120839
显示于类别:	[化學工程與材料工程學系暨研究所] 期刊論文

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