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Toplam kayıt 18, listelenen: 1-10
Photodegradation kinetics of organophosphorous with hydroxyl radicals: Experimental and theoretical study
(Serbian Chemical Society, 2021)
The presence of organophosphorus compounds (OPs) in the environmental counterparts has become an important problem because of their toxicity. In this study, the photocatalytic degradation reactions of the three OPs with ...
Possible reaction pathways of the lincomycin molecule according to the DFT calculation method
(Serbian Chemical Soc, 2017)
Human-used antibiotics are eliminated from the body with little or no transformation at all. Traces of eliminated antibiotics enter the receiving environment directly since they cannot be treated in prevalent wastewater ...
The most stable transition state complexes of the aminotoluene molecule
(Bulgarian Acad Science, 2016)
In this study the most probable reaction paths of ATnm, OATnm, MATnm, PATnm, NMATo and NMATm transition states with OH radicals have been analyzed. The optimized geometry was calculated via Gauss View 5. Subsequently, the ...
Application of Fe-doped TiO2 specimens for the solar photocatalytic degradation of humic acid
(Elsevier Science Bv, 2017)
This study aimed to assess solar photocatalytic activity of Fe-doped TiO2 specimens for the degradation of natural organic matter (NOM) represented by a model humic acid (HA). Fe-doped TiO2 specimens (P-25 and UV-100) were ...
Analysis of the reaction kinetics of aminotoluene molecule through DFT method
(Bulgarian Acad Science, 2015)
In this study, the most probable reaction paths of aminotoluene (o-toluidine) molecule with OH radical were analyzed. The optimized geometry was calculated via Gauss View 5. Subsequently, the lowest energy status was found ...
Influence of Se/N Codoping on the Structural, Optical, Electronic and Photocatalytic Properties of TiO2
(Mdpi Ag, 2017)
Se4+ and N3- ions were used as codopants to enhance the photocatalytic activity of TiO2 under sunlight irradiation. The Se/N codoped photocatalysts were prepared through a simple wet-impregnation method followed by heat ...
Molecules of benidipine: experimental and theoretical investigation
(Bulgarian Acad Science, 2017)
In the search for a plausible mechanism for the photocatalytic degradation reaction of BEN, DFT reactivity descriptors were employed to have information about the most susceptible sites for hydroxyl radical attack. ...
Forced Degradation Studies of Nateglinide by the First-Order Derivative Spectrophotometric Method and the Density Functional Theory of the Nateglinide Molecule
(Springer, 2022)
Nateglinide (NAT) is an oral antihyperglycemic agent used for the treatment of noninsulin-dependent diabetes mellitus. We evaluated the NAT stability under various forced degradation tests (acidic, basic) and predicted the ...
Determination of Total Antioxidant Capacity of Rosehip (R. arvensis Huds) Growing in Turkey and Rosehip Species by Using CUPRAC Spectrophotometric Method
(Asian Journal Of Chemistry, 2013)
L-Ascorbic acid (vitamin C) is the most important vitamin for human nutrition supplied by fruits and vegetables, and is the main water-soluble antioxidant in human plasma. L-Ascorbic acid is reversibly oxidized to form ...
Possible reaction pathways of the acetamiprid molecule according to the DFT calculation method
(Bulgarian Academy of Sciences, 2018)
Acetamiprid, the major active ingredient of some pesticides, is a subclass of the neonicotinoid group and is used especially against whitefly, aphididae, leaf bugs, potato bugs which affect products such as cotton, tobacco, ...