Nucleation.
Nucleation.
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DOI：
10.1021/cg1011633
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发表时间：
2010-11-15
影响因子：
3.8
通讯作者：
Vekilov, Peter G.
中科院分区：
文献类型：
--
作者：
Vekilov, Peter G.
结晶从成核开始，成核的控制对于控制晶体材料的数量、尺寸、完整性、多晶型等特性至关重要。对于溶液中的结晶来说尤其如此，它是化学和制药工业过程的重要组成部分，也是生理和病理现象的重要步骤。对溶液中晶体成核机制的理解最近取得了重大进展。其中最重要的是成核的两步机制和溶液晶体旋节线的概念。根据两步机制，晶核出现在预先存在的数百纳米大小的亚稳态团簇内，这些团簇由致密液体组成并悬浮在溶液中。虽然最初提出用于蛋白质晶体，但该机制的适用性已被证明适用于小分子有机材料、胶体、聚合物和生物矿物。这种机制有助于解释溶液中晶体成核的几个长期存在的难题：成核速率比理论预测低许多数量级、致密蛋白质液体的重要性等等。在大多数结晶系统典型的高过饱和度下，晶体胚的产生发生在旋节线状态，其中成核势垒可以忽略不计。溶液晶体旋节线有助于理解异质基质在成核和晶体多晶型选择中的作用。重要的是，这些想法为通过改变溶液热力学参数来控制成核过程提供了强大的工具。
Crystallization starts with nucleation and control of nucleation is crucial for the control of the number, size, perfection, polymorphism and other characteristics of crystalline materials. This is particularly true for crystallization in solution, which is an essential part of processes in the chemical and pharmaceutical industries and a major step in physiological and pathological phenomena. There have been significant recent advances in the understanding of the mechanism of nucleation of crystals in solution. The foremost of these are the two-step mechanism of nucleation and the notion of the solution–crystal spinodal. According to the two-step mechanism, the crystalline nucleus appears inside pre-existing metastable clusters of size several hundred nanometers, which consist of dense liquid and are suspended in the solution. While initially proposed for protein crystals, the applicability of this mechanism has been demonstrated for small molecule organic materials, colloids, polymers, and biominerals. This mechanism helps to explain several long-standing puzzles of crystal nucleation in solution: nucleation rates which are many orders of magnitude lower than theoretical predictions, the significance of the dense protein liquid, and others. At high supersaturations typical of most crystallizing systems, the generation of crystal embryos occurs in the spinodal regime, where the nucleation barrier is negligible. The solution-crystal spinodal helps to understand the role of heterogeneous substrates in nucleation and the selection of crystalline polymorphs. Importantly, these ideas provide powerful tools for control of the nucleation process by varying the solution thermodynamic parameters.
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影响因子：
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