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首页> 外文期刊>Crystal growth & design >Needle-shaped crystals: Causality and solvent selection guidance based on periodic bond chains
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Needle-shaped crystals: Causality and solvent selection guidance based on periodic bond chains

机译：针状晶体：基于周期性键链的因果关系和溶剂选择指南

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摘要

Needle-shaped crystals, typified by aspect ratios of (1:1:100-1000) are often the steady-state growth shapes in the crystallization of active pharmaceutical ingredients from solution. Crystals with such high aspect ratio shapes are troublesome in the subsequent processing steps required in the formation of a drug product. Therefore, the ability to design crystallizations that directly avoid the formation of needles is of significant interest. In this article, a causality for the formation of needles and guidance for solvent selection based on this causality are provided. The causality presented in this article was formed based on a spiral growth model and requires the presence of a single strongest periodic bond chain within the lattice that is parallel to the direction of elongation of the crystal. The article provides a method for predicting the formation of a needle for a given solute-solvent system based on this causality. Furthermore, three case studies are provided that demonstrate good agreement between experimentally obtained and predicted shapes. As a result, generalized guidance for solvent selection based on the objective of avoiding needles is provided.
机译：针状晶体的纵横比为（1：1：100-1000），通常是活性药物成分从溶液中结晶的稳态生长形状。具有这种高纵横比形状的晶体在形成药物产品所需的后续处理步骤中是麻烦的。因此，设计结晶直接避免针形成的能力引起了极大的兴趣。在本文中，提供了形成针的因果关系以及基于此因果关系进行溶剂选择的指导。本文提出的因果关系是基于螺旋增长模型形成的，它要求在晶格内存在一个最强的周期性键合链，该链与晶体的延伸方向平行。本文提供了一种基于此因果关系预测给定溶质-溶剂系统针的形成的方法。此外，提供了三个案例研究，它们证明了实验获得的形状和预测的形状之间的良好一致性。结果，基于避免针的目的，提供了用于溶剂选择的通用指导。

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