Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Determination of the oxidation state of iron by X-ray fluorescence spectroscopy using chemometric approaches. / Панчук, Виталий Владимирович; Рабдано, Никита Олегович; Гойденко, Александр Александрович; Гребенюк, Андрей Владимирович; Иркаев, Собир Муллоевич; Семенов, Валентин Георгиевич.
в: Journal of Analytical Chemistry, Том 72, № 6, 01.06.2017, стр. 662-670.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Determination of the oxidation state of iron by X-ray fluorescence spectroscopy using chemometric approaches
AU - Панчук, Виталий Владимирович
AU - Рабдано, Никита Олегович
AU - Гойденко, Александр Александрович
AU - Гребенюк, Андрей Владимирович
AU - Иркаев, Собир Муллоевич
AU - Семенов, Валентин Георгиевич
PY - 2017/6/1
Y1 - 2017/6/1
N2 - A possibility of identification of the oxidation state of iron by wavelength dispersive X-ray fluorescence spectroscopy using both the position and intensity of Lα and Lβ spectral lines of iron and by principal component analysis score data obtained by the decomposition of the spectral region corresponding to spectral L-series lines of iron is demonstrated. The application of scores ensures a more reliable identification in comparison with line parameters (position and intensity). Two approaches based on projection on latent structures (PLS) regression for the determination of the concentration of iron in different oxidation states are proposed. The first approach consists in using reference models with compositions similar to those of analyzed samples. In the second approach, PLS regression was build using model spectra obtained from spectra of readily available iron compounds
AB - A possibility of identification of the oxidation state of iron by wavelength dispersive X-ray fluorescence spectroscopy using both the position and intensity of Lα and Lβ spectral lines of iron and by principal component analysis score data obtained by the decomposition of the spectral region corresponding to spectral L-series lines of iron is demonstrated. The application of scores ensures a more reliable identification in comparison with line parameters (position and intensity). Two approaches based on projection on latent structures (PLS) regression for the determination of the concentration of iron in different oxidation states are proposed. The first approach consists in using reference models with compositions similar to those of analyzed samples. In the second approach, PLS regression was build using model spectra obtained from spectra of readily available iron compounds
KW - chemometricsK-nearest neighbors algorithmoxidation stateprincipal component analysisprojection on latent structuresX-ray fluorescence spectroscopy
U2 - 10.1134/S1061934817040128
DO - 10.1134/S1061934817040128
M3 - Article
VL - 72
SP - 662
EP - 670
JO - Journal of Analytical Chemistry
JF - Journal of Analytical Chemistry
SN - 1061-9348
IS - 6
ER -
ID: 34653969