Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Phys Chem Chem Phys. 2011 Sep 14;13(34):15597-602. doi: 10.1039/c1cp21267b. Epub 2011 Jul 25.
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)(-). The wave function of the lowest shape resonant state of the temporary anion (cystine)(-) 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.
采用单中心扩展势能散射计算研究了半胱氨酸和胱氨酸的形状共振电子附加及其随后的解离动力学。通过临时阴离子（半胱氨酸）（-）的一维复势能曲线证明了在给定共振态或特定共振态耦合下直接键断裂的选择性。临时阴离子（胱氨酸）（-）的最低形状共振态的波函数明显显示出局部反键（S-S）*特征，这意味着由于低能电子共振附加，这个二硫键很容易断裂。
