Cocrystal formation of niclosamide and urea in supercritical CO2 and impact of cosolvent

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids Pub Date : 2023-10-01 DOI:10.1016/j.supflu.2023.106029

L. MacEachern , A. Kermanshahi-pour , Mahmoud Mirmehrabi , L. Ajiboye , V. Trivedi , S. Rohani , Q. He

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Abstract

A cocrystal of niclosamide and urea was attempted for the first time using a crystallization in supercritical solvent (CSS). Experiments were conducted at 40 °C or 60 °C between 3.3 and 29.4 MPa in CO₂. Cocrystal formation showed a dependence on the state of CO₂ with no cocrystal formation below the critical point and consistently showed partial conversion above the critical point. The addition of 0.5 mL (2.7–3.5 mol%) cosolvent was found to have significant impact on cocrystal formation at 40 °C and 20 MPa. Addition of 2-propanol increased cocrystal formation by between 50 % and 60 % compared to neat scCO₂, while cyclohexane reduced cocrystal formation by between 20 % and 35 %, and water completely hindered cocrystal formation. The impact of hold time, cosolvent, solubility in relation to ternary phase diagrams, and inter- and intra-molecular hydrogen bonding are discussed.

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氯硝柳胺与尿素在超临界CO2中的共晶形成及共溶剂的影响

首次尝试在超临界溶剂（CSS）中结晶氯硝柳胺和尿素。实验在40°C或60°C、3.3至29.4MPa的CO2中进行。共晶形成显示出对CO2状态的依赖性，在临界点以下没有共晶形成，并且在临界点以上始终显示出部分转化。发现添加0.5 mL（2.7–3.5 mol%）共溶剂对40°C和20 MPa下的共晶形成有显著影响。与纯scCO2相比，2-丙醇的加入使共晶的形成增加了50%至60%，而环己烷使共晶形成减少了20%至35%，并且水完全阻碍了共晶形成。讨论了保持时间、助溶剂、溶解度与三元相图以及分子间和分子内氢键的关系。

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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来源期刊

Journal of Supercritical Fluids 工程技术-工程：化工

CiteScore

7.60

自引率

10.30%

发文量

236

审稿时长

56 days

期刊介绍： The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics. Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.