利用天然深共晶溶剂提高甲硝唑的溶解度：物理化学和热力学研究

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2024-07-23 DOI:10.1016/j.molliq.2024.125604

Adrian Szewczyk, Dorota Warmińska, Jakub Ruszkowski, Michał Szymankiewicz, Magdalena Prokopowicz

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引用次数: 0

摘要

本研究旨在探索天然深共晶溶剂（NADES）作为微溶于水的甲硝唑（MNZ）的助溶剂的效用。在测试了 70 wt%（重量百分比）的七种 NADES 水混合物后发现，MNZ 在由氯化胆碱（ChCl）和柠檬酸（CA）组成的 NADES 水溶液中的溶解度最高。MNZ 的溶解度（以 103 摩尔分数表示）随氯化胆碱：柠檬酸 NADES 的浓度增加而增加（在 298.5 K 温度下，对于 30 和 70 wt% 的 NADES 水混合物，溶解度分别从 6.7743 增加到 26.8518），与 NADES 水混合物中各 NADES 成分的水溶液相比，MNZ 的溶解度（以 103 摩尔分数表示）更为有效。研究还发现，与 MNZ 与水或氯化 ChCl 水溶液混合时的正值（约 7.3 kJ-mol）相比，MNZ 与 NADES 水溶液混合时的标准摩尔焓变为负值（约 - 4.2 kJ-mol），反映出 MNZ 与 NADES 水溶液混合更佳。对 MNZ 在水和 ChCl、CA 以及 ChCl:CA NADES 水溶液中的体积和声学特性进行的比较研究也证实，药物与 NADES 和 CA 之间的相互作用更强。MNZ 与助溶剂之间的主要相互作用是亲水-疏水和疏水-疏水。这种作用按以下强度顺序增加：ChCl < NADES本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies

This research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with the concentration of ChCl:CA NADES (from 6.7743 to 26.8518 at 298.5 K, for 30 and 70 wt% NADES-water mixtures, respectively), and it was more effective when compared to aqueous solutions of individual NADES components with wt.% corresponding to these in the NADES-water mixtures. The study also found a preferable mixing of MNZ with aqueous solutions of NADES reflected by negative values of standard molar enthalpy change of mixing (approx. − 4.2 kJ·mol), compared with positive values in the case of MNZ mixing with water or ChCl aqueous solutions (approx. 7.3 kJ·mol). Comparative research conducted on the volume and acoustics of MNZ in water and aqueous solutions of ChCl, CA, and ChCl:CA NADES also confirmed stronger interactions between the drug and NADES and CA. The dominant interactions between MNZ and co-solvent were hydrophilic-hydrophobic and hydrophobic-hydrophobic. This effect increased in the following strength order: ChCl < NADES

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.