Informace o publikaci

Photoinduced water-chromophore electron transfer causes formation of guanosine photodamage

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JANICKI Mikolaj J. SZABLA Rafal Kazimierz ŠPONER Jiří GORA Robert W.

Rok publikování 2022
Druh Článek v odborném periodiku
Časopis / Zdroj Physical Chemistry Chemical Physics
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
www https://pubs.rsc.org/en/content/articlelanding/2022/cp/d2cp00801g
Doi http://dx.doi.org/10.1039/d2cp00801g
Klíčová slova 2ND-ORDER PERTURBATION-THEORY; INDUCED DNA-DAMAGE; GUANINE DERIVATIVES; MAJOR PRODUCTS; BASIS-SETS; UV; DYNAMICS; STATE; PHOTOCHEMISTRY; ABSORPTION
Popis UV-induced photolysis of aqueous guanine nucleosides produces 8-oxo-guanine and Fapy-guanine, which can induce various types of cellular malfunction. The mechanistic rationale underlying photodestructive processes of guanine nucleosides is still largely obscure. Here, we employ accurate quantum chemical calculations and demonstrate that an excited-state non-bonding interaction of guanosine and a water molecule facilitates the electron-driven proton transfer process from water to the chromophore fragment. This subsequently allows for the formation of a crucial intermediate, namely guanosine photohydrate. Further (photo)chemical reactions of this intermediate lead to the known products of guanine photodamage.

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