ArticlePhysical chemistry chemical physics : PCCP2020
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.
Article in Physical chemistry chemical physics : PCCP, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 28 citations in OpenAlex.
- Article
- Mechanistic Studies on DNA Damage via Independent Generation of Purine Reactive Intermediates.Journal of physical organic chemistry · 2026Article
- Article
- Ionization of DNA Nucleotides in Explicit Solution.Molecules (Basel, Switzerland) · 2025Article
- Deprotonation of 8-Oxo-7,8-dihydroadenine Radical Cation in Free and Encumbered Context: A Theoretical Study.ACS omega · 2024Article
- A Comparison of the Electronic Properties of Selected Antioxidants Vitamin C, Uric Acid, NAC and Melatonin with Guanosine Derivatives: A Theoretical Study.Molecules (Basel, Switzerland) · 2024Article
- The Influence of 2'-Deoxyguanosine Lesions on the Electronic Properties ofMolecules (Basel, Switzerland) · 2024Review
- The Influence of Oxidized Imino-Allantoin in the Presence ofInternational journal of molecular sciences · 2024Article
- The Influence of Spirodi(Iminohydantoin) on Charge Transfer through ds-DNA Containing 8-OXO-dG: A Theoretical Approach.International journal of molecular sciences · 2023Article
- The Influence of 5',8-Cyclo-2'-Deoxyguanosine on ds-DNA Charge Transfer Depends on Its Diastereomeric Form: A Theoretical Study.Antioxidants (Basel, Switzerland) · 2023Article
- How Clustered DNA Damage Can Change the Electronic Properties of ds-DNA-Differences between GAG, GABiomolecules · 2023Article
- Article
- The 2Ih andMolecules (Basel, Switzerland) · 2023Article
- Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations.The journal of physical chemistry. B · 2022Article
- Proton-Transfer Reactions in One-Electron-Oxidized G-Quadruplexes: A Density Functional Theory Study.The journal of physical chemistry. B · 2022Article
- Theoretical Modeling of Redox Potentials of Biomolecules.Molecules (Basel, Switzerland) · 2022Review
- Advanced Raman Spectroscopy Detection of Oxidative Damage in Nucleic Acid Bases: Probing Chemical Changes and Intermolecular Interactions in Guanosine at Ultralow Concentration.Analytical chemistry · 2021Article
- Electron-Induced Repair of 2'-Deoxyribose Sugar Radicals in DNA: A Density Functional Theory (DFT) Study.International journal of molecular sciences · 2021Article
- The Influence of Single, Tandem, and Clustered DNA Damage on the Electronic Properties of the Double Helix: A Theoretical Study.Molecules (Basel, Switzerland) · 2020Article
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
Abstract
Of particular interest in radiation-induced charge transfer processes in DNA is the extent of hole localization immediately after ionization and subsequent relaxation. To address this, we considered double stranded oligomers containing guanine (G) and 8-oxoguanine (8OG), i.e., ds(5'-GGG-3') and ds(5'-G8OGG-3') in B-DNA conformation. Using DFT, we calculated a variety of properties, viz., vertical and adiabatic ionization potentials, spin density distributions in oxidized stacks, solvent and solute reorganization energies and one-electron oxidation potential (E
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