Cotting Gabriel, Urquidi Oscar, Besnard Céline, Brazard Johanna, Adachi Takuji B M
Department of Physical Chemistry, Sciences II, University of Geneva, Geneva 1211, Switzerland.
Laboratory of Crystallography, University of Geneva, Geneva 1211, Switzerland.
Proc Natl Acad Sci U S A. 2025 Mar 11;122(10):e2419638122. doi: 10.1073/pnas.2419638122. Epub 2025 Mar 4.
Molecular-level understanding of the early stage of crystallization remains a significant challenge. For a wide range of fundamental research and applications, it is of great importance to understand the mechanism of crystal polymorph selections in different solvents or in the presence of additives. We studied glycine crystallization in aqueous solution with or without the addition of sodium chloride (NaCl), one crystal nucleation at a time, using the recently developed single-crystal nucleation spectroscopy (SCNS). It has been reported that glycine forms γ-glycine when salt is added to aqueous solution, and the mechanism has been considered as a classical nucleation where γ-glycine forms directly as a crystal nucleus. Our study shows that metastable polymorph β-glycine forms first in aqueous solution both with or without NaCl through a nonclassical nucleation pathway. NaCl can stabilize the metastable β-glycine over several hours and also prevent it from converting to α-glycine. Eventually γ-glycine nucleates on the surface of β-glycine and then grows while dissolving the mother β-glycine. The crystal habit of β-glycine suggests that the stabilization by NaCl occurs at its polar face. SCNS provides crucial information to accelerate the investigation of the early stage of crystallization toward the rational control of polymorphisms.
在分子水平上理解结晶的早期阶段仍然是一项重大挑战。对于广泛的基础研究和应用而言,了解在不同溶剂中或存在添加剂时晶体多晶型选择的机制非常重要。我们使用最近开发的单晶成核光谱法(SCNS),一次研究一个晶体成核,研究了在添加或不添加氯化钠(NaCl)的水溶液中甘氨酸的结晶情况。据报道,当向水溶液中添加盐时,甘氨酸会形成γ-甘氨酸,其机制被认为是经典成核,即γ-甘氨酸直接作为晶核形成。我们的研究表明,亚稳多晶型β-甘氨酸在有或没有NaCl的水溶液中首先通过非经典成核途径形成。NaCl可以在数小时内稳定亚稳的β-甘氨酸,还能防止其转化为α-甘氨酸。最终,γ-甘氨酸在β-甘氨酸表面成核,然后在溶解母β-甘氨酸的同时生长。β-甘氨酸的晶体习性表明,NaCl的稳定作用发生在其极性面上。SCNS为加速结晶早期阶段的研究以实现对多晶型的合理控制提供了关键信息。