Intro -- Vibrational Spectroscopy Applications in Biomedical, Pharmaceutical and Food Sciences -- Copyright -- Contents -- Preface -- Chapter 1 Introduction -- Brief history of vibrational spectroscopy -- References -- Further reading -- Part I Fundamental aspects of vibrational spectroscopy -- Chapter 2 Basic theory, sampling techniques, and instrumentation -- Basic theory -- Sampling techniques and instrumentation -- References -- Part II Biomedical analysis applications -- Chapter 3 Body fluid analysis -- References -- Chapter 4 Tissues analysis -- References
Part III Pharmaceutical analysis applications -- Chapter 5 Chemical drug analysis -- Drug quantification and formulation characterization -- Polymorphic analysis -- Counterfeiting drug analysis -- References -- Chapter 6 Herbal drug analysis -- References -- Part IV Food analysis applications -- Chapter 7 Edible oil analysis -- References -- Chapter 8 Milk analysis -- References -- Chapter 9 Alcoholic drink analysis -- References -- Chapter 10 Some concluding remarks -- Appendix Chemometric processing of spectroscopic data -- 1 Introduction: From the spectra to the data
2 Exploratory data analysis -- 2.1 PCA -- 2.2 Explorative multiblock approaches -- 3 Regression -- 3.1 Partial least squares -- 3.1.1 Estimation of a response vector y by PLS -- 3.1.2 Estimation of a response matrix Y by PLS (PLS2) -- 3.1.3 Estimation of the goodness of a fit -- 3.2 Multiblock regression approaches -- 4 Classification -- 4.1 Discriminant analysis -- 4.1.1 PLS-DA -- 4.2 Class modeling -- 4.2.1 SIMCA -- 4.3 Multiblock approaches for classification -- 5 Validation -- References -- Index
