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多晶型选择:成核、晶体生长及分子模拟的作用

Polymorph selection: the role of nucleation, crystal growth and molecular modeling.

作者信息

Erdemir Deniz, Lee Alfred Y, Myerson Allan S

机构信息

Department of Chemical & Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616, USA.

出版信息

Curr Opin Drug Discov Devel. 2007 Nov;10(6):746-55.

PMID:17987526
Abstract

Solution crystallization is an important separation and purification process used in the chemical, pharmaceutical and food industries. The quality of a crystalline product is generally judged by four main criteria: purity, crystal habit, particle size and solid form. Consistent production of the desired polymorph is crucial as the unanticipated emergence of a different crystal form may have severe consequences. Thus, the selection of a solid-state form for a crystalline product is vital and is ultimately based on knowledge of the properties of the other polymorphs. This review discusses the role of nucleation, crystal growth and molecular modeling on polymorphism in molecular crystals. Examples are presented demonstrating how the first two factors can govern the appearance of a particular crystalline form, and how the latter factor can be used as a tool for understanding polymorphism.

摘要

溶液结晶是化学、制药和食品工业中使用的一种重要的分离和纯化过程。晶体产品的质量通常由四个主要标准来判断:纯度、晶习、粒度和固体形态。由于不同晶型的意外出现可能会产生严重后果,因此持续生产所需的多晶型物至关重要。因此,为晶体产品选择一种固态形式至关重要,最终要基于对其他多晶型物性质的了解。本文综述了成核、晶体生长和分子建模在分子晶体多晶型中的作用。文中给出了一些例子,展示了前两个因素如何控制特定晶型的出现,以及后一个因素如何用作理解多晶型的工具。

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1
Polymorph selection: the role of nucleation, crystal growth and molecular modeling.多晶型选择:成核、晶体生长及分子模拟的作用
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