Correction to “Hydration-Shell Vibrational Spectroscopy”
Correction to “Hydration-Shell Vibrational Spectroscopy”
复制标题
对“水合壳振动光谱法”的修正
DOI：
10.1021/jacs.9b09111
复制
发表时间：
2019
影响因子：
15
通讯作者：
Ben-Amotz, Dor
中科院分区：
文献类型：
--
作者：
Ben-Amotz, Dor
水化壳振动光谱为研究溶质引起的水结构变化提供了一个实验窗口，这些变化介导了水的折叠、结合和自组装。使用多元曲线分辨率 (MCR) 和相关方法对测量的水溶液拉曼和红外 (IR) 光谱进行分解，可用于获得溶质相关光谱，揭示溶质引起的水结构扰动，例如水氢键强度、四面体顺序的变化以及悬挂（非氢键）OH 基团的存在。更一般地，振动-MCR可应用于水性和非水性溶液，包括多组分混合物，以量化稀流体和稠密流体中油性、极性和离子溶质之间溶剂介导的相互作用。将振动 MCR 与新兴的理论建模策略相结合，有望在对具有生物和技术意义的多尺度自组装过程的预测性理解方面取得协同进展。
Hydration-shell vibrational spectroscopy provides an experimental window into solute-induced water structure changes that mediate aqueous folding, binding, and self-assembly. Decomposition of measured Raman and infrared (IR) spectra of aqueous solutions using multivariate curve resolution (MCR) and related methods may be used to obtain solute-correlated spectra revealing solute-induced perturbations of water structure, such as changes in water hydrogen-bond strength, tetrahedral order, and the presence of dangling (non-hydrogen-bonded) OH groups. More generally, vibrational-MCR may be applied to both aqueous and nonaqueous solutions, including multicomponent mixtures, to quantify solvent-mediated interactions between oily, polar, and ionic solutes, in both dilute and crowded fluids. Combining vibrational-MCR with emerging theoretical modeling strategies promises synergetic advances in the predictive understanding of multiscale self-assembly processes of both biological and technological interest.