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在有机溶剂中追踪沙利西胺的前核化分子聚类

Shubhangi Kakkar¹, Shayon Bhattacharya², Pierre-André Cazade²

¹Department of Chemical Sciences, Bernal Institute, University of Limerick, Limerick V94 T9PX, Ireland.

Crystal growth & design

|July 10, 2024

概括

较弱的溶剂-溶液相互作用促进溶液中较大的分子,促进制药水晶核形成. 这项研究揭示了溶剂特性如何影响核化前集群形成和核化倾向.

科学领域:

制药科学制药科学
物理化学物理化学
材料科学材料科学材料科学

背景情况:

晶体核化对于制药固态特性至关重要.
在溶液中早期的分子自我组装作为核化种子.
了解核前集群是控制结晶的关键.

研究的目的:

为了研究不同溶剂中的沙利西胺分子聚类.
为了确定溶剂-溶解物相互作用对集群大小和核化的影响.
为了将核化前集群形成与核化倾向相关联.

主要方法:

光子相关谱 (PCS) 用于测量集群大小.
红外 (IR) 光谱和分子模拟用于研究溶液-溶剂相互作用.
溶解物度从不和到超和的情况变化.

主要成果:

集群大小随着度和时间的推移而增加.
在同等的超和度下,用溶剂增加了集群大小:甲醇 < 乙乙酸 < 乙烯酸乙酸.
较弱的溶解物-溶剂相互作用 (甲醇 < 乙乙烯酸 < 乙烯酸) 与较大的前核化集群和较低的核化驱动力相关.

结论:

溶剂强度显著影响核化前集群大小和稳定性.
较弱的溶剂促进更大的,降低了晶体核形成的能量屏障.
这提供了溶剂特性和制药结晶行为之间的机械联系.

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