The atomistic details of the ice recrystallisation inhibition activity of PVA.
The atomistic details of the ice recrystallisation inhibition activity of PVA.
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DOI：
10.1038/s41467-021-21717-z
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发表时间：
2021-02-26
影响因子：
16.6
通讯作者：
Sosso GC
中科院分区：
文献类型：
--
作者：
Bachtiger F;Congdon TR;Stubbs C;Gibson MI;Sosso GC
了解防冻仿生物的冰重结晶抑制（IRI）活性对于下一代防冻剂的开发至关重要。在这项工作中，我们汇集了分子动力学模拟和定量实验测量，以解开IRI活性的聚乙烯醇（PVA）-最有效的仿生IRI剂的微观起源。相反，新兴的共识，我们发现，PVA不需要“晶格匹配”冰，以显示IRI活动：相反，它是PVA的有效体积和它的接触面积与冰表面决定其IRI强度。我们还发现，熵的贡献可能发挥作用的冰PVA相互作用，我们表明，小嵌段共聚物（到目前为止被认为是IRI不活跃）可能会显示显着的IRI潜力。这项工作阐明了PVA的IRI活性的原子细节，并为冷冻保护剂的合理设计提供了新的指导方针。了解冰的再结晶过程是改进现有低温保存技术的关键。在这里，作者汇集了实验和模拟，以解开聚乙烯醇的冰再结晶抑制（IRI）活性的原子细节-最有效的仿生IRI剂。
Understanding the ice recrystallisation inhibition (IRI) activity of antifreeze biomimetics is crucial to the development of the next generation of cryoprotectants. In this work, we bring together molecular dynamics simulations and quantitative experimental measurements to unravel the microscopic origins of the IRI activity of poly(vinyl)alcohol (PVA)—the most potent of biomimetic IRI agents. Contrary to the emerging consensus, we find that PVA does not require a “lattice matching” to ice in order to display IRI activity: instead, it is the effective volume of PVA and its contact area with the ice surface which dictates its IRI strength. We also find that entropic contributions may play a role in the ice-PVA interaction and we demonstrate that small block co-polymers (up to now thought to be IRI-inactive) might display significant IRI potential. This work clarifies the atomistic details of the IRI activity of PVA and provides novel guidelines for the rational design of cryoprotectants. Understanding ice re-crystallization is key to improve the current cryopreservation technologies. Here, the authors bring together experiments and simulations to unravel the atomistic details of the ice re-crystallization inhibition (IRI) activity of poly(vinyl)alcohol—the most potent biomimetic IRI agent.
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影响因子：
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