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Correlation between physicochemical properties and non-covalent interactions involving l-arginine/l-histidine and semicarbazide hydrochloride at temperatures from 293.15 to 318.15 K
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-05-01 , DOI: 10.1016/j.jct.2020.106067
Jyoti Gupta , Anil Kumar Nain

Abstract Physicochemical properties and the nature of interaction of drug-amino acid have been investigated from the experimentally measured values of densities, ρ, ultrasonic speed, u and viscosities, η of l-arginine and l-histidine in aqueous-semicarbazide hydrochloride (1 wt% and 2 wt% semicarbazide hydrochloride in water, w/w) solvents over the temperature range of 293.15 K to 318.15 K at an interval of 5 K and at atmospheric pressure. From the experimental densities, the apparent molar volume, V φ , limiting apparent molar volume, V ϕ o and transfer volume, V ϕ , t r o were obtained. Further from the ultrasonic data, thermo-acoustical parameters, such as apparent molar compressibility, K s , ϕ , limiting apparent molar compressibility, K s , ϕ o and transfer compressibility, K s , ϕ , t r ° have been evaluated. The viscosity data have been used to determine Falkenhagen Coefficient, A, Jones-Dole coefficient, B, free energy of activation of viscous flow per mole of solvent, Δ μ 1 o # and solute, Δ μ 2 o # , entropies, Δ S o # and enthalpies, Δ H o # of activation of viscous flow. The results have been interpreted in terms of plausible molecular interactions. The cosphere overlap model has been used to interpret the positive V ϕ , t r o values. These amino acids act as structure maker in aqueous-semicarbazide hydrochloride solvents.

中文翻译:

在 293.15 至 318.15 K 的温度下,物理化学性质与涉及 l-精氨酸/l-组氨酸和氨基脲盐酸盐的非共价相互作用之间的相关性

摘要 通过实验测量的密度、ρ、超声速度、u 和粘度、l-精氨酸和 l-组氨酸在盐酸氨基脲水溶液 (1 wt在 293.15 K 至 318.15 K 的温度范围内,在 5 K 的间隔和大气压下,% 和 2 wt% 氨基脲盐酸盐在水中,w/w) 溶剂。从实验密度,获得了表观摩尔体积 V φ 、极限表观摩尔体积 V φ o 和转移体积 V φ 、 tro 。进一步根据超声波数据,热声参数,例如表观摩尔压缩率 K s , ϕ ,极限表观摩尔压缩率 K s , ϕ o 和传递压缩率 K s , ϕ , tr ° 已被评估。粘度数据已用于确定法尔肯哈根系数,A,琼斯-多尔系数,B,每摩尔溶剂粘性流的活化自由能,Δ μ 1 o # 和溶质,Δ μ 2 o #,熵,Δ S o # 和焓,ΔH o # 粘性流的激活。结果已根据似是而非的分子相互作用进行了解释。Cosphere 重叠模型已用于解释正 V ϕ , tro 值。这些氨基酸在氨基脲盐酸盐水溶液中充当结构标记物。Cosphere 重叠模型已用于解释正 V ϕ , tro 值。这些氨基酸在氨基脲盐酸盐水溶液中充当结构标记物。Cosphere 重叠模型已用于解释正 V ϕ , tro 值。这些氨基酸在氨基脲盐酸盐水溶液中充当结构标记物。
更新日期:2020-05-01
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