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<title>Analytical methodology to elemental quantification of weathered terrestrial analogues to meteorites using a portable Laser-Induced Breakdown Spectroscopy (LIBS) instrument and Partial Least Squares (PLS) as multivariate calibration technique</title>
<creator>Gómez Nubla, Leticia</creator>
<creator>Aramendia, Julene</creator>
<creator>Fernández Ortiz de Vallejuelo, Silvia</creator>
<creator>Madariaga Mota, Juan Manuel</creator>
<description>The present work is focused on the in situ quantitative analysis of Si, Al,Mg, Ca, Ba, Na, and Fe, present in weathered&#xd;
terrestrial analogues to meteorites (black steel slag and impact glasses), using a portable Laser Induced&#xd;
Breakdown Spectroscopy (LIBS) instrument. For that purpose, several standards pellets of known elemental concentrations&#xd;
were manufactured. The elemental and molecular homogeneity of the pellets was studied by means&#xd;
of Scanning Electron Microscopy coupled to Energy Dispersive X-ray spectroscopy (SEM-EDS) and Raman spectroscopy.&#xd;
This checkwas always made before the LIBS analysis. Univariate andmultivariate (Partial Least Squares&#xd;
(PLS) regression) calibration approaches on LIBS spectra were selected as initial calibration models. After a comparison&#xd;
between both approaches, the former was discarded due to the poor linearity of the calibration curves,&#xd;
and PLS regressionwas chosen to treat the LIBS spectra as themultivariate calibration approach (in the ultraviolet&#xd;
(UV) and infrared (IR) spectral ranges). Predictive capabilities of each calibration model were evaluated by calculating&#xd;
regression coefficient (r), number of PLS factors (rank), relative errors of cross validation (RMSECV), residual&#xd;
predictive deviation (RPD) and the Bias value. At the end, the simultaneous use of both ranges of&#xd;
wavelengths was demonstrated to be more fruitful rather than using the individual ones, probably due to the&#xd;
higher number of emission lines, number of spectral variables and the PLS latent variables for each element.&#xd;
Moreover, a Reference Material was used as external validation, obtaining satisfactory results in the determination&#xd;
of elements. The predictive ability of the PLSmodelswas evaluated on samples of Darwin Glasses (Australia),&#xd;
Libyan Desert Glasses (Western Desert of Egypt) and black steel slag residues (steelworks of Basque Country).&#xd;
The obtained results were in concordance with the range of composition measured also by X-ray Fluorescence&#xd;
Spectrometer (ED-XRF). Our methodology is a good, rapid, simple and cost-effective alternative for in situ analysis&#xd;
of these terrestrial analogues over other techniques.</description>
<date>2019-03-26</date>
<date>2019-03-26</date>
<date>2018</date>
<type>info:eu-repo/semantics/article</type>
<identifier>Microchemical Journal, 2018, vol. 137. p. 392–401</identifier>
<identifier>0026-265X</identifier>
<identifier>http://uvadoc.uva.es/handle/10324/35258</identifier>
<identifier>10.1016/j.microc.2017.11.019</identifier>
<language>eng</language>
<relation>https://www.sciencedirect.com/science/article/pii/S0026265X17310524?via%3Dihub</relation>
<rights>info:eu-repo/semantics/openAccess</rights>
<rights>© 2018 Elsevier</rights>
<publisher>Elsevier</publisher>
</thesis></metadata></record></GetRecord></OAI-PMH>