报告题目：Photophysics and photochemistry of DNA: what we learned from Quantum Mechanical calculations.
报告人：Roberto Improta, Research Director
报告人单位：Istituto Biostrutture e Biommagini-Consiglio Nazionale delle Ricerche,
Napoli, Italy
主持人：陈缙泉 教授
报告时间：6月28日（周五）上午9:30
地点：闵行校区光学大楼B225会议室
报告摘要：
Absorption of UV light by DNA triggers a cascade of photophysical events and photochemical reactions with possible pathological consequences (damage of the genetic code, apoptosis, carcinogenesis) (1). On the ground of our Quantum Mechanical calculations on realistic DNA models, we shall analyse what are the most important chemical physical effects ruling these processes (2,3). We shall review the basic mechanisms responsible of the photostability of the nucleobases and how their inclusion in polynucleotides gives rise to complex decay pathways (2). We shall thus describe the photochemical pathways leading to the bases dimerization (4) and the processes involving the creation or the migration of charges, which play an important role in the photoactivated dynamics of DNA (2,5-7), and can be involved also in one photon ionization reactions (8). We shall also discuss how the arrangement of DNA in quadruple helices or in I-motifs can affect its photoactivated behavior (9-12), also mentioning some of the involved methodological challenges (13).
References:
1. “DNA Photodamage: From Light Absorption to Cellular Responses and Skin Cancer”, R.Improta, T. Douki eds. RSC publishing, 2022.
2. R. Improta et al. Chem. Rev. 116, 3540 (2016).
3. L Martínez Fernández et al. Acc. Chem. Res. 55, 2077 (2022).
4.“Photoinduced Dimerization in DNA: Singlet Excited State Reaction Paths” L. Martinez-Fernandez, R.Improta, in DNA Photodamage: From Light Absorption to Cellular Responses and Skin Cancer, 2022, pag.17-36.
5. Y. Zhang et al. J. Am. Chem. Soc.137, 7059 (2015)
6. L. Martinez Fernandez et al. Chem. Sci. (2024) advance article
7. X. Wang et al. J. Am. Chem. Soc. 146, 1839 (2024)
8. A. Banyasz et al J. Am. Chem. Soc., 139, 10561 (2017).
9. L. Martinez-Fernandez, et al J. Phys. Chem. Lett. 10, 6873 (2019).
10. L. Martinez-Fernandez, et al Photochem. Photobiol. Sci. 19, 436 (2020).
11. H. Asha, et al Int. J. Biol. Macromol. 194, 882(2022).
12. R. Improta Int. J. Mol. Sci. 24, 12614 (2023)
13. J.A.Green, et al J. Chem. Theory Comput. 17, 405 (2021).
报告人简介:
Roberto Improta, research directorof Istituto Biostrutture e Biommagini-Consiglio Nazionale delle Ricerche, Napoli, Italy, received his PhD in Chemistry(1998), University Federico II Napoli, Italy. Since 2001 RI is a member of the Gaussian Collaborator Board, a panel of scientists contributing to the development of the Software Package Gaussian.
In these last ten years RI has further consolidated his expertise in the development, validation and application of theoretical models and computational methods for the study of the ground and the excited states of large size (bio)molecules, and, in particular, emerged as one of the most influential scientists in the field of the photophysics and photochemistry of Nucleic Acids. From the methodological point of view, his researches have allowed very important advances in the computational spectroscopy in solution and in the study of photoactivated processes by using quantum dynamical methods.These advances are witnessed by the many studies (~230) published in the last years, with the total number of citations to be ~11000 IF 53.