Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression

Результат исследований: Научные публикации в периодических изданияхстатья

13 Цитирования (Scopus)

Выдержка

This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis
Язык оригиналаанглийский
Страницы (с-по)126-131
ЖурналSpectrochimica Acta, Part B: Atomic Spectroscopy
Том113
DOI
СостояниеОпубликовано - 2015

Отпечаток

quantitative analysis
regression analysis
Energy dispersive spectroscopy
Lanthanoid Series Elements
signal to noise ratios
Fluorescence
Rare earth elements
X rays
fluorescence
predictions
x rays
energy
Signal to noise ratio
Calibration
Chemical analysis

Цитировать

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title = "Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression",
abstract = "This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis",
keywords = "EDX, TXRF, Lanthanides, Rare earth metals, PLS regression",
author = "D. Kirsanov and V. Panchuk and A. Goydenko and M. Khaydukova and V. Semenov and A. Legin",
year = "2015",
doi = "10.1016/j.sab.2015.09.013",
language = "English",
volume = "113",
pages = "126--131",
journal = "SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY",
issn = "0584-8547",
publisher = "Elsevier",

}

Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression. / Kirsanov, D.; Panchuk, V.; Goydenko, A.; Khaydukova, M.; Semenov, V.; Legin, A.

В: Spectrochimica Acta, Part B: Atomic Spectroscopy, Том 113, 2015, стр. 126-131.

Результат исследований: Научные публикации в периодических изданияхстатья

TY - JOUR

T1 - Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression

AU - Kirsanov, D.

AU - Panchuk, V.

AU - Goydenko, A.

AU - Khaydukova, M.

AU - Semenov, V.

AU - Legin, A.

PY - 2015

Y1 - 2015

N2 - This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis

AB - This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis

KW - EDX

KW - TXRF

KW - Lanthanides

KW - Rare earth metals

KW - PLS regression

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DO - 10.1016/j.sab.2015.09.013

M3 - Article

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JO - SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY

JF - SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY

SN - 0584-8547

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