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Literature DB >> 16852312

Are radical cation states delocalized over GG and GGG hole traps in DNA?

Abstract

Recently, Kurnikov et al. (J. Phys. Chem. B 2002, 106, 7) have shown that solvation of DNA duplexes destabilizes holes of sizes larger than three base pairs. In this paper, we consider the effects of solvation and internal reorganization on the hole charge distribution in sequences 5'-X-GG-Y-3'. Radical cation states in DNA are found to be localized to a single guanine site independent of the nature of adjacent base pairs.

Entities: Chemical

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Year: 2005 PMID： 16852312 DOI： 10.1021/jp050985c

Source DB: PubMed Journal: J Phys Chem B ISSN： 1520-5207 Impact factor: 2.991

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Cited

10 in total

1. Density functional theory studies of the extent of hole delocalization in one-electron oxidized adenine and guanine base stacks.

Authors: Anil Kumar; Michael D Sevilla
Journal: J Phys Chem B Date: 2011-03-21 Impact factor: 2.991

2. Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections.

Authors: Ye Jin; Xuyan Ru; Neil Qiang Su; Yuncai Mei; David N Beratan; Peng Zhang; Weitao Yang
Journal: J Phys Chem B Date: 2020-04-13 Impact factor: 2.991

3. Comment on "Theoretical study of polaron formation in poly(G)-poly(C) cations".

Authors: Amitava Adhikary; Michael D Sevilla
Journal: J Phys Chem B Date: 2011-06-27 Impact factor: 2.991

4. One-electron oxidation of ds(5'-GGG-3') and ds(5'-G(8OG)G-3') and the nature of hole distribution: a density functional theory (DFT) study.

Authors: Anil Kumar; Amitava Adhikary; Michael D Sevilla; David M Close
Journal: Phys Chem Chem Phys Date: 2020-02-19 Impact factor: 3.676

9. Sequence and conformation effects on ionization potential and charge distribution of homo-nucleobase stacks using M06-2X hybrid density functional theory calculations.

Authors: Marianne Rooman; René Wintjens
Journal: J Biomol Struct Dyn Date: 2013-04-13

Review 10. Comparison of Different Methods to Determine the DNA Sequence Preference of Ionising Radiation-Induced DNA Damage.

Authors: Vincent Murray; Megan E Hardie; Shweta D Gautam
Journal: Genes (Basel) Date: 2019-12-20 Impact factor: 4.096

10 in total

Are radical cation states delocalized over GG and GGG hole traps in DNA?

1. Density functional theory studies of the extent of hole delocalization in one-electron oxidized adenine and guanine base stacks.

2. Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections.

3. Comment on "Theoretical study of polaron formation in poly(G)-poly(C) cations".

4. One-electron oxidation of ds(5'-GGG-3') and ds(5'-G(8OG)G-3') and the nature of hole distribution: a density functional theory (DFT) study.

5. Photoexcitation of dinucleoside radical cations: a time-dependent density functional study.

6. Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations.

Review 7. The Dynamics of Hole Transfer in DNA.

Review 8. Theoretical Modeling of Redox Potentials of Biomolecules.

9. Sequence and conformation effects on ionization potential and charge distribution of homo-nucleobase stacks using M06-2X hybrid density functional theory calculations.

Review 10. Comparison of Different Methods to Determine the DNA Sequence Preference of Ionising Radiation-Induced DNA Damage.