Related Experiment Video
Updated: Jul 10, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Metal-assisted proton transfer reaction in base pairs
Toru Matsui1, Yasuteru Shigeta, Kimihiko Hirao
1Department of Applied Chemistry, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan. matsui@qcl.t.u-tokyo.ac.jp
Abstract:
We investigated the proton-transfer reactions in guanine-cytosine (GC) pairs with density functional theories. In the GC pair bound to cis-platin, the barrier height of proton-transfer reaction dramatically decreases in comparison with the GC pair without the cis-platin. This is because (a) successive processes of charge transfer from G to cisplatin thereby stabilizing both the GC and G*C pairs and (b) an additional hydrogen bond between G and the ligand of Pt atom. In two GC pairs bound to the cis-platin, the single proton-transfer reaction occurs in one of the two GC pairs. No simultaneous single proton-transfer reaction can occur in both base pairs. From the geometry optimization, two different single proton-transferred structures (cis-(CG*)d-Pt-(GC)p and cis-(CG)d-Pt-(G*C)p, where * means a proton donor of G) are as stable as the original structures (CG)d-Pt-(GC)p.
Related Concept Videos
Improving Translational Accuracy
Mismatch Repair
The Mutator Protein Family Plays a Key Role in DNA Mismatch Repair
The human genome has more than 3 billion base pairs of DNA per cell. Prior to cell division, that vast amount of genetic...
Mismatch Repair
Proton (¹H) NMR: Chemical Shift
Absorption signals of all the protium nuclei in a...
Tandem Mass Spectrometry
Brønsted-Lowry Acids and Bases

