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Repair of UV Light Induced DNA Lesions: A Comparative Study with Model Compounds
Abstract
Ab initio calculations on the initial steps of the polymerization process of 1,1-dicyano-, -difluoro- and -di-methyl-substituted cyclopropanes are presented. Polyme-rization enthalpies determined by model calculations show the thermodynamic feasibility of the process. The reaction mechanism of the first step is further discussed by considering initiation by various species such as Hq, OHq, and CH3q (q = +, 0, –). Transition structures and energy barriers are obtained for all species, allowing discussion of the reaction mechanism and an estimation of the kinetic feasibility. The Hartree–Fock structures at the 6-31+G(d, p) level have been fully optimized and electron correlation has been introduced at the MP2 level for some selected reaction mechanisms.
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“It has been demonstrated that the main photoproducts are cis-syn-configured CPD lesions, while trans-syn-configured CPD lesions are formed in much less quantity [47].”
From Molecular Mechanisms of Ultraviolet Radiation‐Induced DNA Damage and Repair (2010) · cites this paper as [47]
In the citing paper
“CPDs are formed at higher quantity by cycloaddition reaction between two pyrimidine bases [47] in single-stranded DNA (ssDNA) and at the flexible ends of poly (dA)-(dT) tracts, but not at their rigid centre [50, 51].”
From Molecular Mechanisms of Ultraviolet Radiation‐Induced DNA Damage and Repair (2010) · cites this paper as [47]
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- Authors
- Carell, T., & Epple, R.
- Venue
- European Journal of Organic Chemistry
- Published
- 1998
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- Carell, T., & Epple, R. (1998). Repair of UV Light Induced DNA Lesions: A Comparative Study with Model Compounds. European Journal of Organic Chemistry. https://doi.org/10.1002/(sici)1099-0690(199807)1998%3A7
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