Experimental and theoretical study of quercetin complexes formed on pure silica and Zn-modified mesoporous MCM-41 and SBA-16 materials

Popova, Margarita and Trendafilova, Irene and Szegedi, Ágnes and Mihály, Judith and Németh, Péter and Marinova, Sylvia G and Aleksandrov, H. E. and Vayssilov, G. N. (2016) Experimental and theoretical study of quercetin complexes formed on pure silica and Zn-modified mesoporous MCM-41 and SBA-16 materials. MICROPOROUS and Mesoporous Materials, 228. pp. 256-265. ISSN 1387-1811

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Abstract

SBA-16 and MCM-41 silica materials were synthesized and modified by post-synthesis method with different amounts of Zn (2 and 4 wt.%). Quercetin, a flavonol compound, was loaded by incipient wetness impregnation method on the pure silica and Zn-modified mesoporous MCM-41 and SBA-16 supports. The parent and drug loaded formulations were characterized by powder XRD, N2 physisorption, thermal analysis, TEM, UV Vis and FT-IR spectroscopies. The formation of Zn:quercetin complex was studied by FT-IR spectroscopy and quantum-chemical calculations. Loading of quercetin on mesoporous carriers made the sustained delivery of the bioactive compound possible in a buffer with pH ¼ 5.5, typical of dermal formulations. The results from the release experiments are in good accordance with the interaction energy between the bioactive molecule and non-modified and Zn-modified mesoporous materials, predicted by the quantum-chemical calculations. For the first time the formation of the most stable Zn quercetin complexes loaded on the mesoporous silica materials were determined. The obtained mesoporous delivery systems with Zn-quercetin complex are promising as dermal formulations.

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