Exploring green solvent systems and enhanced solubility of xanthone in triglyceride-based tricaprin-tricaprylin mixtures with thermodynamic insights

IF 4.3 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY BMC Chemistry Pub Date : 2024-12-04 DOI:10.1186/s13065-024-01329-6

Hua Liu, Johnson Stanslas, Jiaoyan Ren, Norhidayah Binti Suleiman, Gun Hean Chong

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Abstract

This study explores the use of green solvent systems by investigating the solubility and thermodynamic properties of xanthone (1) in triglyceride-based tricaprin (2) and tricaprylin (3) mixtures, aiming to replace traditional organic solvents. The solubility profile exhibited a concave trend, and the highest solubility was observed at a solute-free fraction (x₂) of 0.36. The solubility exponentially increased with increasing temperature in the range from 30 °C to 75 °C. The solubility data were effectively correlated using the local composition-regular solution theory (LC-RST) model and achieved an ARDln value of 4.8 × 10^–3. The model indicated strong interactions between tricaprin and tricaprylin, followed by interactions between tricaprylin and xanthone and between tricaprin and xanthone. The dissolution process of xanthone was primarily enthalpy driven. Based on the structural analysis, xanthone maintained its molecular structure after dissolution in tricaprin and tricaprylin; however, changes in crystallinity levels were observed. These findings provide insights into the use of triglycerides as solvents to improve the solubility and bioaccessibility of hydrophobic compounds such as xanthone.

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探索绿色溶剂系统和增强山酮在甘油三酯为基础的tricaprin-tricaprylin混合物中的溶解度与热力学见解

本研究通过研究山酮(1)在甘油三酯基tricaprin(2)和tricaprylin(3)混合物中的溶解度和热力学性质，探索绿色溶剂体系的使用，旨在取代传统的有机溶剂。溶解度曲线呈凹形，无溶质分数（x2）为0.36时溶解度最高。在30 ~ 75℃范围内，随着温度的升高，溶解度呈指数增长。利用局部组分-正则溶液理论（LC-RST）模型对溶解度数据进行了有效的关联，得到了4.8 × 10-3的ARDln值。模型显示，曲卡普林与曲卡普林的相互作用较强，其次是曲卡普林与山酮和曲卡普林与山酮的相互作用。山酮的溶出过程主要由焓驱动。结构分析表明，口山酮在tricaprin和tricaprylin中溶解后仍保持其分子结构；然而，观察到结晶度水平的变化。这些发现为使用甘油三酯作为溶剂来改善疏水化合物（如山酮）的溶解度和生物可及性提供了见解。

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来源期刊

BMC Chemistry Chemistry-General Chemistry

CiteScore

5.30

自引率

2.20%

发文量

审稿时长

27 weeks

期刊介绍： BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.