A Quantum Chemical Study of Cu2+Interacting with Guanine−Cytosine Base Pair. Electrostatic and Oxidative Effects on Intermolecular Proton-Transfer Processes

2004 ◽  
Vol 108 (2) ◽  
pp. 333-341 ◽  
Author(s):  
Marc Noguera ◽  
Joan Bertran ◽  
Mariona Sodupe
Keyword(s):  
Proton Transfer ◽  
Base Pair ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Transfer Processes ◽  
Intermolecular Proton Transfer ◽  
Oxidative Effects

scholarly journals The influence of isolated and penta-hydrated Zn2+ on some of the intramolecular proton-transfer processes of thymine: a quantum chemical study

RSC Advances ◽  
2018 ◽  
Vol 8 (20) ◽  
pp. 11021-11026 ◽  
Author(s):  
Dejie Li ◽  
Ying Han ◽  
Huijuan Li ◽  
Ping Zhang ◽  
Qi Kang ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Intramolecular Proton Transfer ◽  
Transfer Processes ◽  
Dft Modeling

The influence of isolated and penta-hydrated Zn2+ on some of the intramolecular proton-transfer processes of thymine is investigated by DFT modeling.

WHY DNA ELECTRICAL PROPERTIES CHANGE ON MOLECULAR OXYGEN DOPING: A QUANTUM-CHEMICAL STUDY

2004 ◽  
Vol 18 (16) ◽  
pp. 785-790 ◽  
Author(s):  
E. B. STARIKOV
Keyword(s):  
Electrical Properties ◽  
Molecular Oxygen ◽  
Electrical Conduction ◽  
Base Pair ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Chemical Mechanisms ◽  
Physico Chemical ◽  
Insight Into

A detailed semiempirical quantum-chemical study is reported on homogeneous adenosine-thymidine and guanosine-cytidine base pair steps, both pure ones and their complexes with oxygen molecules. The results of this study help gain detailed insight into physico-chemical mechanisms of electrical conduction control in DNA molecules when doping them with molecular oxygen or related molecules.

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