Theoretical investigation of the coupling between hydrogen atoms transfer and stacking interaction in guanine–cytosine dimers

Literature Information

Publication Date 2013-09-20
DOI 10.1039/C3CP52855C
Impact Factor 3.676
Authors


View Original

Abstract

The effect of the stacking interaction on some properties of the guanine–cytosine (G–C) base pair has been studied. In particular, the strength of the hydrogen bonds, the mechanism of hydrogen transfer and the charge redistribution intra- and inter-base pair have been analyzed in the three canonical dimers. The inclusion of both the stacking interaction and of the hydrogen bond interaction between the bases allows us to study both the local and the long-range phenomena of DNA. The comparison of these results with those of the G–C monomeric system supports the idea that the variations of these properties depend from the exact dimer considered and are different for one or another hydrogen bond. Also the different mechanisms of two hydrogen transfer (step to step and concerted) can be modified by the stacking interaction between the base pairs. The comparison with previous data shows that some generalizations found in literature must be analyzed in detail.

Related Literature

Sign change of magnetoresistance in Gd-doped amorphous carbon granular films

Shihao Ding, Chao Jin, Ziwei Fan, Peng Li, Haili Bai

2015-10-26 Paper

DOI: 10.1039/C5CP05070G

Femtosecond predissociation dynamics of the methyl radical from the 3pz Rydberg state

Garikoitz Balerdi, Joanne Woodhouse, Alexander Zanchet, Rebeca de Nalda, María L. Senent, Alberto García-Vela, Luis Bañares

2015-10-08 Paper

DOI: 10.1039/C5CP05710H

Front cover

Cover

DOI: 10.1039/C6CP90001A

Confined helium on Lagrange meshes

D. Baye, J. Dohet-Eraly

2015-02-24 Paper

DOI: 10.1039/C5CP00110B

STM investigation of structural isomers: alkyl chain position induced self-assembly at the liquid/solid interface

Yi Hu, Kai Miao, Bao Zha, Li Xu, Xinrui Miao, Wenli Deng

2015-11-19 Paper

DOI: 10.1039/C5CP05795G

A simple analytical model for signal amplification by reversible exchange (SABRE) process

Danila A. Barskiy

2015-11-18 Communication

DOI: 10.1039/C5CP05134G

Gas-phase synthesis of Mg–Ti nanoparticles for solid-state hydrogen storage

M. Calizzi, F. Venturi, M. Ponthieu, F. Cuevas, V. Morandi, T. Perkisas, S. Bals, L. Pasquini

2015-11-05 Paper

DOI: 10.1039/C5CP03092G

Inside back cover

Cover

DOI: 10.1039/C6CP90003H

You might also like

Compound Q&A

What are the main uses of (3alpha,5alpha)-3-Hydroxypregnane-11,20-dione (CAS: 23930-19-0)?

(3alpha,5alpha)-3-Hydroxypregnane-11,20-dione is primarily used in the pharmaceu...

23930-19-0(3alpha,5alpha)-3-Hy...
Compound Q&A

What is the market or research trend for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4)?

The market for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4) is ...

546141-56-44-Amino-6-chloro-2-p...
Compound Q&A

Are there alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in synthesis?

Alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in ...

24472-88-6(2-Benzoylethyl)trim...
Compound Q&A

Is N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) safe?

N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) is generally safe...

393-12-4N-[4-Nitro-3-(triflu...
Compound Q&A

Are there alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-14-5) in synthesis?

There are alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-...

4605-14-5N,N'-Bis(3-aminoprop...
Compound Q&A

What precautions should be taken when handling Aluminium trihexadecanoate (CAS: 555-35-1)?

When handling Aluminium trihexadecanoate, it is important to use appropriate per...

555-35-1Aluminium trihexadec...
Compound Q&A

What is (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid (CAS: 52188-11-1)?

(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid is a chemical compound ...

52188-11-1(1,1-Dioxido-3-oxo-1...
Compound Q&A

Are there alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) in synthesis?

Several alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) can be used in...

3123-97-55,5-dimethyloxolan-2...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.