Department of Applied Chemistry, Organic and Natural Compounds Engineering, Polytechnic University of Timişoara, Carol Telbisz 6, 300001, Timişoara, Romania.
Department of Applied Chemistry and Engineering of Inorganic Compounds and Environment, Polytechnic University of Timişoara, Pârvan Blvd. 2, 300223, Timişoara, Romania; Research Institute for Renewable Energy, Polytechnic University of Timişoara, Gavril Muzicescu 38, 300501, Timișoara, Romania.
Carbohydr Polym. 2021 Aug 1;265:118079. doi: 10.1016/j.carbpol.2021.118079. Epub 2021 Apr 18.
The goal of the study was to evaluate the influence of the solvent properties on the crystal characteristics of β-cyclodextrin (β-CD) recrystallized from alcohol-water solvent mixtures, with possible applications for the preparation, purifying and complexation of β-CD. For the first time, structure-property relationships (QSPRs) between the hydrophobicity of alcohols or dielectric constant of solvents used for recrystallization of β-CD and its properties (such as crystallinity index, CI) have been obtained. Recrystallized β-CD from water and C-C alcohol-water solutions provide β-CD with higher CI values of 99.4(±5.9)% for ethanol-water (1:4, v/v) as recrystallizing system. This property has a parabolic variation with the logP (octanol/water partition coefficient) of the alcohol (r = 0.998). Solvent parameters also influence the β-CD crystal characteristics, as was demonstrated by X-ray diffractometry refinement, infrared spectroscopy and thermal analyses.
本研究旨在评估溶剂性质对β-环糊精（β-CD）从醇-水溶剂混合物中重结晶晶体特性的影响，这可能对β-CD 的制备、纯化和包合具有应用价值。首次获得了β-CD 重结晶所用醇的疏水性或溶剂介电常数与β-CD 性质（如结晶度指数，CI）之间的结构-性质关系（QSPR）。从水和 C-C 醇-水溶液中重结晶的β-CD 为乙醇-水（1:4，v/v）作为重结晶体系提供了更高的 CI 值，为 99.4(±5.9)%。该性质与醇的 logP（辛醇/水分配系数）呈抛物线变化（r=0.998）。溶剂参数也会影响β-CD 晶体特性，这已通过 X 射线衍射精修、红外光谱和热分析得到证明。
