ArticleInternational journal of molecular sciences2023
A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 4 papers.
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4 citing papers in PubMed, 4 citations in OpenAlex.
- Correction: Schaltz et al. A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine.International journal of molecular sciences · 2024Article
- Hydroxyl radical-induced C1'-H abstraction reaction of different artificial nucleotides.Journal of molecular modeling · 2024Article
- In Vitro Anti-Inflammatory and Skin Protective Effects ofJournal of microbiology and biotechnology · 2024Article
- The Importance of Anharmonicity and Solvent Effects on the OH Radical Attack on Nucleobases.International journal of molecular sciences · 2024Article
Corrections and comments
- Erratum issued
Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
All practically possible hydrogen abstraction reactions for guanosine and uridine have been investigated through quantum chemical calculations of energy barriers and rate constants. This was done at the level of density functional theory (DFT) with the ωB97X-D functional and the 6-311++G(2df,2pd) Pople basis set. Transition state theory with the Eckart tunneling correction was used to calculate the rate constants. The results show that the reaction involving the hydrogen labelled C4' in the ribofuranose part has the largest rate constant for guanosine with the value 6.856×10(10) L s-1 mol-1 and the largest for uridine with the value 3.655×10(9) L s-1 mol-1. Based on the results for these two nucleosides, there is a noticeable similarity between the rate constants in the ribofuranose part of the molecule, even though they are bound to two entirely different nucleobases.
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