%0 Journal Article %1 WOS:000300061300017 %A Oliveira, Thiago M B F %A Ribeiro, Francisco W P %A do Nascimento, Jefferson M %A Soares, Janete E S %A Freire, Valder N %A Becker, Helena %A de Lima-Neto, Pedro %A Correia, Adriana N %C CAIXA POSTAL 26037, 05599-970 SAO PAULO, BRAZIL %D 2012 %I SOC BRASILEIRA QUIMICA %J JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY %K adsorptive analysis; direct natural raw square-wave voltammetry} waters; {dexamethasone; %N 1 %P 110-119 %R 10.1590/S0103-50532012000100016 %T Direct Electrochemical Analysis of Dexamethasone Endocrine Disruptor in Raw Natural Waters %V 23 %X This paper describes an electroanalytical methodology using square-wave adsorptive voltammetry, which has been successfully applied for the direct determination of dexamethasone residues in raw natural waters used for the public supply of the Ceara State, Brazil. The obtained detection limits ranged from 7.47 x 10(-9) to 1.80 x 10(-8) mol L-1 for the three matrices of raw natural waters evaluated. High percentages of average recovery (98.86% +/- 0.72), repeatability (0.32% +/- 0.05) and reproducibility (0.91% +/- 0.20) were obtained in these samples, reaffirming the sensitivity of the procedure. Energy of the LUMO orbitals and Mulliken's atomic charges were calculated using the functional BLYP/DNP. The theoretical results allied to the diagnostic criteria of the square-wave voltammetry indicate that the dexamethasone redox mechanism is associated to the quasi-reversible and irreversible reduction process of the ketone groups located at C-20 and C-3, respectively.

@article{WOS:000300061300017, abstract = {This paper describes an electroanalytical methodology using square-wave adsorptive voltammetry, which has been successfully applied for the direct determination of dexamethasone residues in raw natural waters used for the public supply of the Ceara State, Brazil. The obtained detection limits ranged from 7.47 x 10(-9) to 1.80 x 10(-8) mol L-1 for the three matrices of raw natural waters evaluated. High percentages of average recovery (98.86% +/- 0.72), repeatability (0.32% +/- 0.05) and reproducibility (0.91% +/- 0.20) were obtained in these samples, reaffirming the sensitivity of the procedure. Energy of the LUMO orbitals and Mulliken's atomic charges were calculated using the functional BLYP/DNP. The theoretical results allied to the diagnostic criteria of the square-wave voltammetry indicate that the dexamethasone redox mechanism is associated to the quasi-reversible and irreversible reduction process of the ketone groups located at C-20 and C-3, respectively.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {CAIXA POSTAL 26037, 05599-970 SAO PAULO, BRAZIL}, author = {Oliveira, Thiago M B F and Ribeiro, Francisco W P and do Nascimento, Jefferson M and Soares, Janete E S and Freire, Valder N and Becker, Helena and de Lima-Neto, Pedro and Correia, Adriana N}, biburl = {https://www.bibsonomy.org/bibtex/25574dd13da17d00a55c30bb49f487848/ppgfis_ufc_br}, doi = {10.1590/S0103-50532012000100016}, interhash = {7411f1498cacc2662abfa321c5030737}, intrahash = {5574dd13da17d00a55c30bb49f487848}, issn = {0103-5053}, journal = {JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY}, keywords = {adsorptive analysis; direct natural raw square-wave voltammetry} waters; {dexamethasone;}, number = 1, pages = {110-119}, publisher = {SOC BRASILEIRA QUIMICA}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Direct Electrochemical Analysis of Dexamethasone Endocrine Disruptor in Raw Natural Waters}, tppubtype = {article}, volume = 23, year = 2012 }