Practical Quantitative Vibrational and Electronic Spectroscopy

An expert collection of case studies, real-world examples, and up-to-date info about quantitative spectroscopic methods In Practical Quantitative Vibrational and Electronic Spectroscopy: A Guide For Developing, Optimizing, and Validating Procedures, experienced spectroscopist Deborah Peru and an expert team of contributors deliver an up-to-date discussion of the development of the quantitative spectroscopic methods used for measuring samples in the ultraviolet, visible, near IR, and mid IR regions of the spectrum. The book presents and reviews statistical considerations, method development, and standard quantitative techniques involving regression and other approaches. This coverage explores many of the techniques used in industry and academia for extracting quantitative information from spectra. You’ll discover how to develop and implement spectroscopic methods for analysis in products using commercial instruments and software. Readers will also find: A thorough introduction to real-world issues in spectroscopy, including expeditious development timelines and procedure lifecycle management Comprehensive explorations of the fundamentals of quantitative spectroscopy Practical discussions of quantitative applications and statistical analysis of spectral data Select examples of the real-world implementation of spectroscopic technologies Perfect for scientists, process engineers, and managers supervising the development and use of spectroscopic instruments, Practical Quantitative Vibrational and Electronic Spectroscopy will also benefit students interested in this rapidly developing collection of technologies.

List of Contributors  Preface Part I: Fundamentals of Quantitative Spectroscopy Chapter 1: An Introduction to Quantitative Spectroscopy Chapter 2: Types of Sampling and Measurement Errors   Chapter 3: Procedure Design and Data Analytics Chapter 4:  Types of Quantitative Methods Chapter 5: Variable Selection Strategies Chapter 6: Preprocessing of Spectral Data Chapter 7: Procedure Validation and Lifecycle Management Part II: Quantitative Applications and Statistical Analysis of Spectral Data Chapter 8: Practical Considerations and Benefits of Using Vibrational Spectroscopy in Process Environments Chapter 9: Simultaneous Absorbance and Fluorescence Instrument Measuring and Analysis Principles for Quantitative Analysis  Chapter 10: Analysis of Grape and Wine Quality Features with Simultaneous Absorbance and Fluorescence Technology Chapter 11: Surface-Enhanced Raman Spectroscopy Theory  Chapter 12: Detecting Fentanyl in Patient Samples Using Surface-Enhanced Raman Spectroscopy Chapter 13: Detection of Foodborne Pathogens on Surfaces and in Food by SERRS Chapter 14: Development and Validation of Handheld Vibrational Spectroscopy Methods for the Quantitation of Active Ingredients in Pharmaceutical Solid Dosage Forms Chapter 15: Statistics of Microplastics Analysis: How to Achieve Healthy Statistical Representation Chapter 16: Material Sparing Approaches for Spectroscopic PAT Method Development in the Pharmaceutical Industry Chapter 17: Development and Implementation of a NIR Calibration Model to Determine an Active Pharmaceutical Ingredient in a Commercial Film Coating Process. Part III: Real-World Implementation Vignettes Chapter 18: Automating the Spectrometer Calibration and Maintenance Processes Chapter 19: Considerations When Selecting a Sample Interface Chapter 20: Continuous Performance Qualification Systems for On-line Near-Infrared (NIR) Analyzers Used in Fuels Blending Operations Index