孔隙和裂缝中蛋白质晶体成核的理论与实验研究
Theoretical and experimental investigation of protein crystal nucleation in pores and crevices.
作者信息
Nanev Christo, Govada Lata, Chayen Naomi E
机构信息
Rostislaw Kaischew Institute of Physical Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str. Bl. 11, Sofia 1113, Bulgaria.
Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Faculty of Medicine, Imperial College London, Exhibition Road, South Kensington, London SW7 2AZ, United Kingdom.
出版信息
IUCrJ. 2021 Feb 11;8(Pt 2):270-280. doi: 10.1107/S2052252521000269. eCollection 2021 Mar 1.
The nucleation ability of pores is explained using the equilibration between the cohesive energy maintaining the integrity of a crystalline cluster and the destructive energy tending to tear it up. It is shown that to get 3D crystals it is vital to have 2D crystals nucleating in the pores first. By filling the pore orifice, the 2D crystal nuclei are more stable because their peripheries are protected from the destructive action of water molecules. Furthermore, the periphery of the 2D crystal is additionally stabilized as a result of its cohesion with the pore wall. The understanding provided by this study combining theory and experiment will facilitate the design of new nucleants.
利用维持晶体簇完整性的内聚能与倾向于撕裂它的破坏能之间的平衡来解释孔隙的成核能力。结果表明，要获得三维晶体，首先在孔隙中形成二维晶体至关重要。通过填充孔隙口，二维晶体核更稳定，因为其周边受到保护，免受水分子的破坏作用。此外，二维晶体的周边由于与孔壁的内聚作用而进一步稳定。这项结合理论与实验的研究提供的理解将有助于新型成核剂的设计。
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