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Lophine and pyrimidine based photoactive molecular hybrids. Synthesis, photophysics, BSA interaction and DFT study

Abstract

Two photoactive molecular hybrids containing both lophine and pyrimidine moieties were synthesized by multicomponent reaction. The compounds present absorption in the UV-region (below 300 nm) and fluorescence emission in the violet region due to the lophine moiety. Experimental evidences indicates that photoinduced electron transfer (PET) is presented in the excited state of the hybrids. The observed photophysical features were sucessfully used to explore their interaction with bovine serum albumin (BSA) in phosphate buffer solution (PBS) where a significant supression mechanism was observed for both molecular hybrids. The DFT and TD-DFT calculations were performed at the ωB97XD level of theory. The results show low influence of the solvent on the wavelengths. However, the dipole moment has a significant modification with the solvent change, showing a high polar behavior towards the excited state. Calculations also show us that the exits are local, there is no charge transfer

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Publication details

The article was received on 03 Jul 2018, accepted on 31 Aug 2018 and first published on 10 Sep 2018


Article type: Paper
DOI: 10.1039/C8NJ03315C
Citation: New J. Chem., 2018, Accepted Manuscript
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    Lophine and pyrimidine based photoactive molecular hybrids. Synthesis, photophysics, BSA interaction and DFT study

    J. P. B. Lopes, V. S. Câmara, F. S. Santos, D. Russowsky, R. Beal, P. A. Nogara, J. B. T. Rocha, P. F.B. Goncalves, F. S. Rodembusch and M. Ceschi, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C8NJ03315C

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