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

Deborah A. Peru is the owner and President of DP Spectroscopy and Training LLC. She has over 40 years' experience in industrial research and development, and process analytical technology in the petrochemical, specialty chemical, consumer products, and pharmaceutical industries.