Abstract
Photochemical reactions have an important place in photodynamic treatments. A good use of this therapeutic method requires a good mastery of the mechanisms of the reactions involved. Therefore, we have explored in this work the photosensitization mechanism of an organometallic complex of azopyridine δ-OsCl2(Azpy)2 through a calculation with the method of Time Dependent Density Functional Theory TDDFT. First, we evaluated the effect of polar and non-polar solvents on the triplet and singlet excited states of this complex. Then secondly, we highlighted the photosensitization mechanism to understand how the complex acts over the diseased cells. These investigations have shown that the δ-OsCl2(Azpy)2 complex is likely to develop photodynamic activity according to two mechanisms: on one hand, it can generate damage to DNA bases or target tissues indirectly through the production of singlet oxygen in water and in DMSO. On the second hand, through the production of the anionic superoxide radical in water can act directly or indirectly on these substrates. In addition, polar solvents are assumed to better carry out the photochemical reactions of this azopyridine complex of osmium.
Highlights
Organometallic complexes of arylazopyridine type represent a class of compounds with interesting biological properties, in particular their anticancer properties [1]
These investigations have shown that the δ-OsCl2(Azpy)2 complex is likely to develop photodynamic activity according to two mechanisms: on one hand, it can generate damage to DNA bases or target tissues indirectly through the production of singlet oxygen in water and in dimethyl sulfoxide (DMSO)
Since the photochemical reactions of the δ-OsCl2(Azpy)2 complex and the DNA or the RNA bases are related to the properties of the excited states of these molecules, we evaluated the lowest energy excited states of this molecule with both the excited states singlet and triplet either in vacuum or in the presence of solvent at the B3LYP/Lanl2dz level
Summary
Organometallic complexes of arylazopyridine type represent a class of compounds with interesting biological properties, in particular their anticancer properties [1]. Hotze et al in their study of this type of complex, have demonstrated, on the one hand, their antiproliferative properties in vitro of cancer cells and, on the other hand, their antitumor activity in vivo [3]. Few Arylazopyridine ruthenium complexes are assumed to act on several tumor cell lines [3]. These complexes are discovered as photosensitizers thereby allowing them to emit electrons under the light effect. They have a wide absorption band in the visible range. Their photophysical properties are exploited in photovoltaic cells [4]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
