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Silicon photosensitizers in cancer therapy: Theoretical studies on novel 5‐methoxypsoralens
Author(s) -
AyoubiChianeh Mojgan,
Kassaee Mohamad Z.
Publication year - 2019
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.4007
Subject(s) - chemistry , singlet oxygen , psoralen , photochemistry , photodynamic therapy , excited state , singlet state , silicon , ground state , triplet state , computational chemistry , oxygen , molecule , organic chemistry , atomic physics , biochemistry , dna , physics
Three novel silicon photosensitizers (PSs) are discovered with prospects to be utilized in psoralen ultra‐violet A (PUVA) cancer therapy, at B3LYP/6‐311++G** level of theory. They include 5‐methoxysilolo[3,2‐ g ]chromen‐2(8 H )‐one ( 1 ), 5‐methoxybenzo[4,5]silolo[3,2‐ g ]chromen‐2(10 H )‐one ( 2 ), and 11‐methoxybenzo[ c ]silolo[3,2‐ g ]chromen‐5(8 H )‐one ( 3 ). Structures 1 ‐ 3 exhibit intense narrow absorption peaks in the ultra violet A (UVA) therapeutic window and show T 1 energies necessary to activate the ground state triplet molecular oxygen ( 3 O 2 ) to its singlet excited state ( 1 O 2 ).
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