Hall Kyle Wm, Carpendale Sheelagh, Kusalik Peter G
Department of Chemistry, University of Calgary, Calgary, AB, Canada T2N 1N4.
Department of Computer Science, University of Calgary, Calgary, AB, Canada T2N 1N4.
Proc Natl Acad Sci U S A. 2016 Oct 25;113(43):12041-12046. doi: 10.1073/pnas.1610437113. Epub 2016 Oct 6.
The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent crystallization process. Through this, we contribute both: (i) a powerful conceptual framework for exploring and rationalizing molecular crystallization, and (ii) an explanation of phenomenological similarities between protein folding and crystallization. Such funnel-shaped potential energy landscapes may be typical of broad classes of molecular ordering processes, and can provide a new perspective for both studying and understanding these processes.
对于许多体系而言，结晶在分子层面的细节仍不明确。此前的研究推测了分子结晶与蛋白质折叠之间的现象学相似性。在此，我们通过对混合气体水合物成核这一典型的多组分结晶过程进行详细分析，证明分子结晶可能涉及漏斗状的势能面。借此，我们做出了两方面贡献：（i）为探索和阐释分子结晶提供了一个强有力的概念框架；（ii）解释了蛋白质折叠与结晶之间的现象学相似性。这种漏斗状的势能面可能是广泛的分子有序过程所共有的特征，可为研究和理解这些过程提供新的视角。
