溶解度数据、抗艾滋病药物恩曲他滨在不同纯溶剂中的溶解度参数和热力学行为：对溶解度和溶解的分子理解。
Solubility Data, Solubility Parameters and Thermodynamic Behavior of an Antiviral Drug Emtricitabine in Different Pure Solvents: Molecular Understanding of Solubility and Dissolution.
机构信息
Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
出版信息
Molecules. 2021 Jan 31;26(3):746. doi: 10.3390/molecules26030746.
The solubility values, various Hansen solubility parameters (HSPs) and thermodynamic behavior of emtricitabine (ECT) in twelve different pure solvents (PS) were estimated using various experimental as well as computational methods. Experimental solubility values () of ECT in twelve different PS were obtained at = 298.2 K to 318.2 K and = 0.1 MPa. The values of ECT were correlated by "van't Hoff, Apelblat and Buchowski-Ksiazaczak models". Various HSPs for ECT and twelve different PS were also calculated using "HSPiP software". The values of ECT were estimated maximum in polyethylene glycol-400 (PEG-400; 1.41 × 10), followed by ethylene glycol, Transcutol-HP, propylene glycol, methanol, water, isopropanol, ethanol, 1-butanol, dimethyl sulfoxide, 2-butanol and EA (1.28 × 10) at = 318.2 K. "Apparent thermodynamic analysis" showed an "endothermic and entropy-driven dissolution" of ECT. Overall, PEG-400 was found as the best/ideal solvent for solubility/miscibility of ECT compared to other solvents studied.
采用多种实验和计算方法，估算了恩曲他滨（ECT）在 12 种不同纯溶剂（PS）中的溶解度值、各种 Hansen 溶解度参数（HSPs）和热力学行为。在 298.2 K 至 318.2 K 和 0.1 MPa 下，获得了 ECT 在 12 种不同 PS 中的实验溶解度值 ()。ECT 的 值通过“van't Hoff、Apelblat 和 Buchowski-Ksiazaczak 模型”进行了关联。还使用“ HSPiP 软件”计算了 ECT 和 12 种不同 PS 的各种 HSPs。在 = 318.2 K 时，ECT 的 值在聚乙二醇-400（PEG-400；1.41×10）中最大，其次是乙二醇、Transcutol-HP、丙二醇、甲醇、水、异丙醇、乙醇、1-丁醇、二甲基亚砜、2-丁醇和 EA（1.28×10）。“表观热力学分析”表明 ECT 的溶解是“吸热和熵驱动的”。总体而言，与研究的其他溶剂相比，PEG-400 是最适合/理想的 ECT 溶解度/混溶性溶剂。
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