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Structure and electronic properties of benzimidazole and cycloheptaimidazole gold N-heterocyclic carbenes (2021)
(Elsevier Ltd, 2021-09-01)
Two related families (one previously experimentally reported and another theoretically proposed) of gold benzimidazole (family 1) and cycloheptaimidazole (family 2) N-heterocyclic carbenes were studied due to the potential ...
Experimental and DFT study of natural curcumin derived dyes as n-type sensitizers (2021)
(Elsevier Ltd, 2021-09-01)
In this paper, four different bio-inspired curcumin dyes were explored as n-type sensitizers in regenerative TiO2 based photoelectrochemical cells in order to rationalize their structure/performance relationships for solar ...
Theoretical and kinetic study of the singlet oxygen quenching reaction by hesperidin isolated from mandarin (Citrus reticulata) fruit peels (2021)
(Springer Science and Business Media Deutschland GmbH, 2021)
Antioxidants act as quenchers or scavengers of oxidative free radicals and singlet oxygen (1O2); these compounds are effective in the treatment of diseases associated with oxidative stress and food preservation. We studied ...
Organotin Schiff bases as halofluorochromic dyes: green synthesis, chemio-photophysical characterization, DFT, and their fluorescent bioimagingin vitro (2021)
(Royal Society of Chemistry, 2021-10-07)
Fluorescent bioimaging is an excellent tool in cellular biology, and it will be a powerful technique in modern medicine as a noninvasive imaging technology where tumoral and normal cells must be distinguished. One of the ...
Zinc phthalocyanine absorbance in the near-infrared with application for transparent and colorless dye-sensitized solar cells (2021)
(Academie des sciences, 2021)
Transparent and colorless solar cells are attractive new photovoltaic devices as they could bring new opportunities to harness sunlight energy and particularly for their integration in windows. In this work, a new zinc ...
Fluorescence turn-on and turn-off mechanisms of a dual-selective chemosensor of Bi3+ and pH changes: Insights from a theoretical perspective (2020)
(Elsevier Ltd, 2021-02)
The N-hydroxy 1,8-naphthalimide (LH) is an optical dual-selective chemosensor toward Bi3+ ions as well as pH changes. In specific, this senor is selective to Bi3+ ions, which turn-on the fluorescence upon their interaction; ...
A novel series of pyrazole derivatives toward biological applications: experimental and conceptual DFT characterization (2021)
(Springer Science and Business Media Deutschland GmbH, 2021)
Abstract: A new series of 13 pyrazole-derivative compounds with potential antifungal activity were synthetized with good yields. The series have the (E)-2-((1-(R)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)phenol general structure ...
Cyanobacterial biomass as a potential biosorbent for the removal of recalcitrant dyes from water (2021)
(MDPI, 2021-11-02)
The accumulation of cyanobacteria produced due to eutrophication processes and the increment of different pollutants in water as a result of industrial processes affects aquatic environments such as the ocean, rivers, and ...