When Polypeptides Meet 2D Materials:Deciphering Intermolecular Hydrogen Bonding Interactions
HE Jia-Ni1,2, ZHENG Shu-Lin1,2, ZHONG Rong-Zhen1,2, CAI Kai-Cong1,2**
1. Fujian Normal University, College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering, Fuzhou 350117, China; 2. Xiamen University, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, China
Abstract Gaussian software was introduced for the demonstration of inter-molecular hydrogen bonding interactions between alanine dipeptide (with three different terminal groups) and nitrogenated graphene in class teaching of “Computers and Applied Chemistry” course. The obtained atomic distances, charge distributions and electrostatic potentials show the forming mechanism of hydrogen bond to students, enhance their understanding about the nature of hydrogen bond, and thus cultivate inter-disciplinary and innovative talents.
HE Jia-Ni, ZHENG Shu-Lin, ZHONG Rong-Zhen, CAI Kai-Cong. When Polypeptides Meet 2D Materials:Deciphering Intermolecular Hydrogen Bonding Interactions[J]. Chinese Journal of Chemical Education, 2024, 45(2): 121-126.
