Molecular understanding of ion specificity at the peptide bond

Literature Information

Publication Date 2014-11-07
DOI 10.1039/C4CP04055D
Impact Factor 3.676
Authors

Chuanyu Yan, Tiancheng Mu


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Abstract

The Hofmeister series has remained a mystery for more than a century. A detailed understanding of the interactions in ion-dissolved systems is still needed because the classical theories have failed to accommodate the specific ion effects. In this study, the interactions between ions, solvent and a model compound for proteins were explored using a direct nuclear magnetic resonance (NMR) approach along with density functional theory (DFT) calculations. It was found that the chaotropic anions caused increasing chemical shifts of the model compound, while kosmotropic anions resulted in decreasing shifts; this suggests that the kosmotropic anions were prevented from interacting with the model compound. The experimental results can be explained by a combination of local electrostatic interactions and hydrogen bonding. Although more effort are required to justify the NMR method applied in this study, the results could give a quantitative standard for defining kosmotropes/chaotropes and might provide a new way for predicting the effects of unfamiliar ions in the future.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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