Chemometrics and Numerical Methods in Libs

Chemometrics and Numerical Methods in LIBS
 
A practical guide to the application of chemometric methods to solve qualitative and quantitative problems in LIBS analyses
 
Chemometrics and Numerical Methods in LIBS, delivers an authoritative and practical exploration of the use of advanced chemometric methods to laser-induced breakdown spectroscopy (LIBS) cases. The book discusses the fundamentals of chemometrics before moving on to solutions that can be applied to data analysis methods. It is a concise guide designed to help readers at all levels of knowledge solve commonly encountered problems in the field.
 
The book includes three sections: LIBS information simplification, LIBS classification, and quantitative analysis by LIBS. Each section of the book is divided into a description of relevant techniques and practical examples of its applications. Contributors to this edited volume are the most recognized international experts on the chemometric techniques relevant to LIBS analysis.
 
Chemometrics and Numerical Methods in LIBS also includes:
* A thorough introduction to the simplification of LIBS information, including principal component analysis, independent component analysis, and parallel factor analysis
* Comprehensive explorations of classification by LIBS, including spectral angle mapping, linear discriminant analysis, graph clustering, self-organizing maps, and artifical neural networks
* Practical discussions of linear methods for quantitative analysis by LIBS, including calibration curves, partial least squares regression, and limit of detection
* In-depth examinations of multivariate analysis and non-linear methods, including calibration-free LIBS, the non-linear Kalman filter, artificial and convolutional neural networks for quantification
 
Relevant for researchers and PhD students seeking practical information on the application of advanced statistical methods to the analysis of LIBS spectra, Chemometrics and Numerical Methods in LIBS will also earn a place in the libraries of students taking courses involving LIBS spectro-analytical techniques

List of contents

List of Contributors xiii
 
Preface xvii
 
Introduction and Brief Summary of the LIBS Development 1
 
Part I Introduction to LIBS 5
 
1 LIBS Fundamentals 7
Mohamad Sabsabi
 
1.1 Interaction of Laser Beam with Matter 8
 
1.2 Basics of Laser-Matter Interaction 9
 
1.3 Processes in Laser-Produced Plasma 10
 
1.4 Factors Affecting Laser Ablation and Laser-Induced Plasma Formation 11
 
1.4.1 Influence of Laser Parameters on the Laser-Induced Plasmas 11
 
1.4.2 Laser Wavelength (lambda) 12
 
1.4.3 Laser Pulse Duration (tau) 12
 
1.4.4 Laser Energy (E) 13
 
1.4.5 Influence of Ambient Gas 13
 
1.5 Plasma Properties and Plasma Emission Spectra 14
 
References 15
 
2 LIBS Instrumentations 19
Mohamad Sabsabi and Vincenzo Palleschi
 
2.1 Basics of LIBS instrumentations 19
 
2.2 Lasers in LIBS Systems 20
 
2.3 Desirable Requirements for Atomic Emission Spectrometers/Detectors 22
 
2.4 Spectrometers 23
 
2.4.1 Czerny-Turner Optical Configuration 23
 
2.4.2 Paschen-Runge Design 24
 
2.4.3 Echelle Spectrometer Configuration 25
 
2.5 Detectors 26
 
2.5.1 Photomultiplier Detectors 26
 
2.5.2 Solid-State Detectors 27
 
2.5.3 The Interline CCD Detectors 27
 
2.5.3.1 The Image Intensifier 28
 
References 29
 
3 Applications of LIBS 31
Vincenzo Palleschi and Mohamad Sabsabi
 
3.1 Industrial Applications 31
 
3.1.1 Metal Industry 31
 
3.1.2 Energy Production 34
 
3.2 Biomedical Applications 34
 
3.3 Geological and Environmental Applications 36
 
3.4 Cultural Heritage and Archaeology Applications 37
 
3.5 Other Applications 37
 
References 38
 
Part II Simplications of LIBS Information 45
 
4 LIBS Spectral Treatment 47
Sabrina Messaoud Aberkane, Noureddine Melikechi and Kenza Yahiaoui
 
4.1 Introduction 47
 
4.2 Baseline Correction 47
 
4.2.1 Polynomial Algorithm 48
 
4.2.2 Model-free Algorithm 49
 
4.2.3 Wavelet Transform Model 52
 
4.3 Noise Filtering 55
 
4.3.1 Wavelet Threshold De-noising (WTD) 55
 
4.3.2 Baseline Correction and Noise Filtering 59
 
4.4 Overlapping Peak Resolution 60
 
4.4.1 Curve Fitting Method 61
 
4.4.2 The Wavelet Transform 64
 
4.5 Features Selection 66
 
4.5.1 Principal Component Analysis 68
 
4.5.2 Genetic Algorithm (GA) 68
 
4.5.3 Wavelet Transformation (WT) 68
 
References 71
 
5 Principal Component Analysis 81
Mohamed Abdel-Harith and Zienab Abdel-Salam
 
5.1 Introduction 81
 
5.1.1 Laser-Induced Breakdown Spectroscopy (LIBS) 81
 
5.2 The Principal Component Analysis (PCA) 82
 
5.3 PCA in Some LIBS Applications 83
 
5.3.1 Geochemical Applications 83
 
5.3.2 Food and Feed Applications 85
 
5.3.3 Microbiological Applications 88
 
5.3.4 Forensic Applications 91
 
5.4 Conclusion 94
 
References 94
 
6 Time-Dependent Spectral Analysis 97
Fausto Bredice, Ivan Urbina, and Vincenzo Palleschi
 
6.1 Introduction 97
 
6.2 Time-Dependent LIBS Spectral Analysis 98
 
6.2.1 Independent Component Analysis 98
 
6.2.2 3D Boltzmann Plot 102
 
6.2.2.1 Principles of the Method 103
 
6.3 Applications 109
 
6.3.1 3D Boltzmann Plot Coupled with Independent Component Analysis 109
 
6.3.2 Analysis of a Carbon Plasma by 3D Boltzmann Plot Method 109
 
6.3.3 Assessment of the LTE Condition Through th

About the author

Vincenzo Palleschi is a Senior Researcher with the Institute of Chemistry of Organometallic Compounds, Italian Research Council and Professor of Advanced Analytical Chemistry at the University of Pisa. He is Associate Editor of the Journal of Advanced Research and a member of the Editorial Advisory Boards of Spectrochimica Acta B and Reviews in Analytical Chemistry. He has published more than 140 scientific papers on LIBS, making him the most productive author in LIBS ever. His paper on Calibration-Free LIBS, published in 1999, is the most quoted research paper in LIBS. In 2000 he was the organizer and chairperson of the First International Conference on LIBS in Pisa (Italy).

Product details

• Authors: Vincenzo Palleschi
• Assisted by: Vincenzo Palleschi (Editor), Palleschi Vincenzo (Editor)
• Publisher: Wiley, John and Sons Ltd
• Languages: English
• Product format: Hardback
• Released: 17.11.2022
• EAN: 9781119759584
• ISBN: 978-1-119-75958-4
• No. of pages: 384
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Theoretical chemistry; Non-fiction book > Nature, technology > Natural science; Chemie, Werkstoffprüfung, chemistry, Materialwissenschaften, Materials science, Materials Characterization, Computational Chemistry u. Molecular Modeling, Computational Chemistry & Molecular Modeling, Chemometrik, Chemometrics & Data Handling, Chemometrie u. Datenverarbeitung, LIBS