Small Saccharides as a Blanket around Proteins: A Computational Study,The Journal of Physical Chemistry B

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Small Saccharides as a Blanket around Proteins: A Computational Study
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-07-12 , DOI: 10.1021/acs.jpcb.8b04632
Hari Datt Pandey ₁ , David M. Leitner ₁

Affiliation

Saccharides stabilize proteins exposed to thermal fluctuations and stresses. While the effect of a layer of trehalose around a protein on the melting temperature has been well studied, its role as a thermal insulator remains unclear. We report calculations of thermalization in small saccharides, including glucose, galactose, lactose, and trehalose, and thermal transport through a trehalose layer between water and protein and between gold, such as a gold nanoparticle, and its cellular environment. The thermalization rates calculated for the saccharides provide information about the scope of applicability of approaches that can be used to predict thermal conduction in these systems, specifically where Fourier’s law breaks down and where a Landauer approach is suitable. We find that trehalose serves as an excellent molecular insulator over a wide range of temperatures.

中文翻译：

小糖作为蛋白质的毯子：一项计算研究

糖稳定暴露于热波动和压力的蛋白质。尽管已经很好地研究了蛋白质周围海藻糖层对融解温度的影响，但其作为绝热材料的作用仍不清楚。我们报告了小糖类（包括葡萄糖，半乳糖，乳糖和海藻糖）中的热化计算，以及在水和蛋白质之间以及金（例如金纳米粒子）与海藻糖之间通过海藻糖层进行的热传输及其细胞环境。为糖类计算的热化速率可提供有关可用于预测这些系统中热传导的方法适用范围的信息，尤其是在傅立叶定律失效和适合使用Landauer方法的情况下。

更新日期：2018-07-14

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