A quantum chemical investigation of the photodissociation of the nitrosyl hematoporphyrin complex

Autor:	A. N. Osipov, Alexey N. Romanov, B. M. Polyak, R. A. Sakovich, S. K. Gularyan, Yu. A. Vladimirov
Rok vydání:	2017
Předmět:	0301 basic medicine Hematoporphyrin Quantum chemical 03 medical and health sciences chemistry.chemical_compound 030102 biochemistry & molecular biology chemistry Computational chemistry Excited state Photodissociation Biophysics Photochemistry Dissociation (chemistry)
Zdroj:	Biophysics. 62:191-197
ISSN:	1555-6654 0006-3509
Popis:	The photodissociation process of the nitrosyl hematoporphyrin complex has been studied using quantum-chemical methods. Photolysis of hematoporphyrin complexes is of high biological usefulness and is widely employed in laser-therapy methods. However, the mechanism of photodissociation of these complexes is not entirely clear. Based on the computations, we propose a detailed mechanism for the photolysis of the nitrosyl hematoporphyrin complex. A transition “dissociative” excited state has been described, which has an energy barrier value of only 0.4 eV for NO dissociation.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c62878b536d6df833dc698f352354760 https://doi.org/10.1134/s000635091702021x Zobrazit plný text záznamu Full text from SpringerLink