Chemometrics: Methods, Applications and New Research


Series: Analytical Chemistry and Microchemistry
BISAC: SCI013000

This book offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems by using analytical chemistry and statistics. It presents a diverse selection of topics that include experimental designs applied for the optimization of liquid chromatographic and capillary electrophoresis, variable selection in chemical data, calibration of the first order: data, algorithms, and analytical applications, characterization of polyphenols from natural products using separation techniques coupled with chemometrics, detection of malignant tumors using FT-IR spectroscopy combined with chemometrics, guidelines in synthesis of new anticancer compounds, direct analysis of solid samples by spectroscopy and chromatographic techniques, application of data fusion in different levels with examples, and analysis of pharmaceutical and food products by various analytical techniques. This book helps thereader embrace the growing role of chemometrics in some of the latest research trends, such as characterization of polyphenolic compounds in natural, pharmaceutical, and food products in analytical problems, such as classification and quantification using the multivariate calibration of the second order. This book also identifies several areas for future development and applications. The chapters are written by leading experts.

Chemometrics: Methods, Applications, and New Research offers a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data. (Imprint: Nova)

Table of Contents

Table of Contents


Chapter 1. Introduction to Chemometrics: Methods, Applications, and New Research
Aderval S. Luna (Department of Analytical Chemistry, Institute of Chemistry, Rio de Janeiro State University, Rua São Francisco Xavier, Maracanã – Rio de Janeiro, Brazil)

Chapter 2. Experimental Design for the Optimization of Liquid Chromatographic Methods
Sonia Sentellas and Javier Saurina (Department of Analytical Chemistry, University of Barcelona. Martí i Franquès, Barcelona, Spain)

Chapter 3. Employment of the Chemometric Methods in Capillary Electrophoresis
Marcone Augusto Leal de Oliveira, Fernando Antonio Simas Vaz, Lucas Mattos Duarte, Paula Rocha Chellini, Rafael Marques, Renata Takabayashi Sato, Tatiane Lima Amorim Prado (Department of Chemistry, Federal University of Juiz de Fora, Juiz de Fora, MG, Brazil)

Chapter 4. Variable Selection in Chemical Data
Adriano de Araújo Gomes (Faculdade de Química, Instituto de Ciências Exatas da Universidade Federal do Sul e Sudeste do Pará, Brazil)

Chapter 5. First-Order Multivariate Calibration: Data, Algorithms and Analytical Applications
Kássio Michell Gomes de Lima and Camilo de Lelis Medeiros de Morais (Federal University of Rio Grande do Norte, Institute of Chemistry, Biological Chemistry and chemometrics research group, Natal, RN, Brazil)

Chapter 6. Chemometrics in the Polyphenolic Characterization of Natural Products by Liquid Chromatography and Capillary Electrophoresis
Míriam Hidalgo-Serrano, Oscar Núñez and Javier Saurina (Department of Analytical Chemistry, University of Barcelona, Barcelona, Spain, and others)

Chapter 7. Malignant Tumors Diagnosis using FT-IR Spectroscopic Analysis Combined with Chemometrics
Li Xiang (School of Instrumentation Science & Opto-electronics Engineering, Beijing Information Science & Technology University, China)

Chapter 8. The Concept of Chemometric Guidelines in Synthesis and Development of New Anticancer Compounds
Strahinja Kovačević, Sanja Podunavac-Kuzmanović, Lidija Jevrić (University of Novi Sad, Faculty of Technology Novi Sad, Department of Applied and Engineering Chemistry, Novi Sad, Serbia)

Chapter 9. Chemometrics for the Direct Analysis of Solid Samples by Spectroscopic and Chromatographic Techniques
Dora Melucci, Marina Cocchi, Francesca Corvucci, Michela Boi, Laura Tositti, Francesco de Laurentiis, Alessandro Zappi, Clinio Locatelli, Marcello Locatelli (Department of Chemistry «Giacomo Ciamician», University of Bologna, Italy, and others)

Chapter 10. Applications of Data Fusion in Chemistry and Related Areas
Aderval S. Luna, Igor Campos de A. Lima, Ricard Boqué, and Joan Ferré (Rio de Janeiro State University, Institute of Chemistry, Department of Analytical Chemistry, Rio de Janeiro, Brazil, and others)

Chapter 11. Application of Different Analytical Techniques Coupled with Chemometric in the Pharmaceutical and Food Industries
Jéssica da S. A. de Pinho (Department of Analytical Chemistry, Rio de Janeiro State University, Rio de Janeiro, RJ, Brazil)


Additional Information

Audience: Chemometrics: Methods, Applications, and New Research offer a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data.

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