Resonant dissociative electron attachments to cysteine and cystine

Literature Information

Publication Date 2011-07-25
DOI 10.1039/C1CP21267B
Impact Factor 3.676
Authors

Yong-Feng Wang, Shan Xi Tian, Jinlong Yang


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Abstract

Shape-resonant electron attachments to cysteine and cystine and the subsequent dissociation dynamics are investigated with the single-center expansion potential scattering calculations. Selectivity of the direct bond cleavage at a given resonant state or by the specific resonant state coupling is demonstrated with the one-dimensional complex potential energy curves of the temporary anion (cysteine)āˆ’. The wave function of the lowest shape resonant state of the temporary anion (cystine)āˆ’ distinctly shows the localized anti-bond (S–S)* character, implying that this disulfide bond can be easily broken due to the low-energy electron resonant attachment.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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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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