Analysis of thermophysical properties of l-alanine/l-histidine in aqueous metformin hydrochloride solutions at varying temperatures

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society Pub Date : 2026-05-01 Epub Date: 2026-03-06 DOI:10.1016/j.jics.2026.102527

Mona Thakur, Himani Singh, Umeshwari, Ashwani Kumar

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Abstract

Drug–biomolecule interactions play a crucial role in pharmaceutical formulation and biological performance. In this study, the thermophysical properties of l-alanine and l-histidine in aqueous metformin hydrochloride solutions were investigated using precise density measurements over the temperature range 293.15–313.15 K and drug concentrations of 0.05–0.15 mol kg⁻¹. Apparent molar volumes (V_ϕ), limiting apparent molar volumes (V⁰_ϕ), transfer volumes (Δ_trV⁰_ϕ), limiting apparent molar expansibilities (E⁰_ϕ), and Hepler's constant were evaluated to elucidate molecular interactions. The obtained V⁰_ϕ values indicate strong solute–solvent interactions, while small slope (S_v) values suggest weak solute–solute interactions. The consistently positive Δ_trV⁰_ϕ values are attributed to hydrophilic–ionic effects and hydration sphere overlap. Temperature-dependent expansibility data and negative Hepler's constants reveal structure-breaking behavior in aqueous metformin hydrochloride solutions. These findings provide molecular-level insight into amino acid–drug interactions relevant to pharmaceutical and biophysical systems.

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不同温度下l-丙氨酸/l-组氨酸在盐酸二甲双胍水溶液中的热物理性质分析

药物-生物分子相互作用在药物配方和生物性能中起着至关重要的作用。本文研究了l-丙氨酸和l-组氨酸在盐酸二甲双胍水溶液中温度为293.15 ~ 313.15 K，药物浓度为0.05 ~ 0.15 mol kg−1时的热物理性质。评估表观摩尔体积（vφ）、极限表观摩尔体积（v0φ）、转移体积（ΔtrV0ϕ）、极限表观摩尔膨胀率（e0φ）和Hepler常数来阐明分子相互作用。得到的V0ϕ值表明溶质-溶质相互作用强，而小斜率（Sv）值表明溶质-溶质相互作用弱。一致的正ΔtrV0ϕ值归因于亲水离子效应和水化球重叠。温度相关的膨胀数据和负Hepler常数揭示了盐酸二甲双胍水溶液中的结构破坏行为。这些发现提供了与制药和生物物理系统相关的氨基酸-药物相互作用的分子水平的见解。

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来源期刊

Journal of the Indian Chemical Society 化学-化学综合

CiteScore

3.50

自引率

7.70%

发文量

492

审稿时长

3-8 weeks

期刊介绍： The Journal of the Indian Chemical Society publishes original, fundamental, theorical, experimental research work of highest quality in all areas of chemistry, biochemistry, medicinal chemistry, electrochemistry, agrochemistry, chemical engineering and technology, food chemistry, environmental chemistry, etc.