Extraction of information from laser-induced breakdown spectroscopy spectral data by multivariate analysis

Abstract

Laser-induced breakdown spectroscopy (LIBS) is being proposed more and more as a high-throughput technology to assess the elemental composition of materials. When a specific element is of interest, semiquantification is possible by building a calibration model using the emission line intensity of this element for known samples. However, a unique element has usually more than one emission line, and there are many examples where several emission lines used in combination give dramatically better results than any of the individual variables used alone. With a multivariate approach, models can be constructed that take into account all the emission lines related to a specific element; therefore more robust models can be developed. In this work, chemometric methods such as principal component analysis and partial least squares are proposed to resolve and extract useful information from the LIBS spectral data collected on biological materials.

Applications of High Resolution Laser: Induced Breakdown Spectroscopy for Environmental and Biological Samples

“…Multivariate approaches are chemometric analytical tools which take into account all the variables in the spectra, remove the redundancy, correlation, and collinearity, and resolve and extract useful information from the large and complex LIBS spectra [20]. Many studies have successfully applied multivariate approaches for analyzing the LIBS spectra of wood [20,21], human and animal bones [67], glass [68], geomaterials [69,70] and plant materials [71].…”

“…Many studies have successfully applied multivariate approaches for analyzing the LIBS spectra of wood [20,21], human and animal bones [67], glass [68], geomaterials [69,70] and plant materials [71]. However, only a few studies applied multivariate approaches for soil spectra analysis, such as classification of distinct soil samples using principle component analysis (PCA) [72] and determination of elemental carbon concentration using partial least square (PLS) [42].…”

Sensitive Detection of Epithelial Ovarian Cancer Biomarkers Using Tag-Laser Induced Breakdown Spectroscopy

“…This leads to plotting standard calibration curves to be compared with unknown sample. Another way to reduce the amount of experimental data involves the use of the principal component analysis (PCA) (Labbe et al, 2008). PCA converts the multi-dimensional set of experimental data into the new typically less dimensional set of principal components with higher variance.…”

Homogeneity testing and quantitative analysis of manganese (Mn) in vitrified Mn-doped glasses by laser-induced breakdown spectroscopy (LIBS)

“…In this context, advanced data analysis techniques such as multivariate data analysis have been applied on LIBS spectra. [11][12][13][14] Many groups around the globe are working on LIBS quantitative elemental analysis using calibration curve method. [15][16][17][18][19][20] For this, generally, a calibration curve prepared by using the emission line intensity of the analyte material versus its concentration is used.…”