Infrared and Raman Spectroscopic Imaging -- Contents -- Preface -- List of Contributors -- Part I Basic Methodology -- Chapter 1 Infrared and Raman Instrumentation for Mapping and Imaging -- 1.1 Introduction to Mapping and Imaging -- 1.2 Mid-Infrared Microspectroscopy and Mapping -- 1.2.1 Diffraction-Limited Microscopy -- 1.2.2 Microscopes and Sampling Techniques -- 1.2.3 Detectors for Mid-Infrared Microspectroscopy -- 1.2.4 Sources for Mid-Infrared Microspectroscopy -- 1.2.5 Spatial Resolution -- 1.2.6 Transmission Microspectroscopy -- 1.2.7 Attenuated Total Reflection Microspectroscopy -- 1.3 Raman Microspectroscopy and Mapping -- 1.3.1 Introduction to Raman Microspectroscopy -- 1.3.2 CCD Detectors -- 1.3.3 Spatial Resolution -- 1.3.4 Tip-Enhanced Raman Spectroscopy -- 1.4 Near-Infrared Hyperspectral Imaging -- 1.5 Raman Hyperspectral Imaging -- 1.6 Mid-Infrared Hyperspectral Imaging -- 1.6.1 Spectrometers Based on 2D Array Detectors -- 1.6.2 Spectrometers Based on Hybrid Linear Array Detectors -- 1.6.3 Sampling -- 1.7 Mapping with Pulsed Terahertz Radiation -- 1.8 Summary -- Acknowledgments -- References -- Chapter 2 Chemometric Tools for Image Analysis -- 2.1 Introduction -- 2.2 Hyperspectral Images: The Measurement -- 2.2.1 The Data Set and the Underlying Model -- 2.3 Image Preprocessing -- 2.3.1 Signal Preprocessing -- 2.3.1.1 De-noising -- 2.3.1.2 Baseline Correction -- 2.3.1.3 Detection and Suppression of Anomalous Pixels or Anomalous Spectral Readings -- 2.3.2 Data Pretreatments -- 2.3.3 Image Compression -- 2.4 Exploratory Image Analysis -- 2.4.1 Classical Image Representations: Limitations -- 2.4.2 Multivariate Image Analysis (MIA) and Principal Component Analysis (PCA) -- 2.5 Quantitative Image Information: Multivariate Image Regression (MIR) -- 2.6 Image Segmentation.

2.6.1 Unsupervised and Supervised Segmentation Methods -- 2.6.2 Hard and Fuzzy Segmentation Approaches -- 2.6.3 Including Spatial Information in Image Segmentation -- 2.7 Image Resolution -- 2.7.1 The Image Resolution Concept -- 2.7.2 Spatial and Spectral Exploration -- 2.7.3 The Resolution Process: Initial Estimates and Constraints -- 2.7.4 Image Multiset Analysis -- 2.7.5 Resolution Postprocessing: Compound Identification, Quantitative Analysis, and Superresolution -- 2.7.5.1 Compound Identification -- 2.7.5.2 Quantitative Analysis -- 2.7.5.3 Superresolution -- 2.8 Future Trends -- References -- Part II Biomedical Applications -- Chapter 3 Vibrational Spectroscopic Imaging of Soft Tissue -- 3.1 Introduction -- 3.1.1 Epithelium -- 3.1.2 Connective Tissue and Extracellular Matrix -- 3.1.3 Muscle Tissue -- 3.1.4 Nervous Tissue -- 3.2 Preparation of Soft Tissue for Vibrational Spectroscopic Imaging -- 3.2.1 General Preparation Strategies -- 3.2.2 Vibrational Spectra of Reference Material -- 3.2.3 Preparation for FT-IR Imaging -- 3.2.4 Preparation for Raman Imaging -- 3.3 Applications to Soft Tissue -- 3.3.1 Colon Tissue -- 3.3.2 Brain Tissue and Brain Tumors -- 3.3.2.1 Mouse Brains -- 3.3.2.2 Primary Brain Tumors -- 3.3.2.3 Secondary Brain Tumors -- 3.3.2.4 Cellular Resolution -- 3.3.3 Cervix Uteri and Squamous Cell Carcinoma -- 3.3.4 Atherosclerosis -- 3.4 Conclusions -- References -- Chapter 4 Vibrational Spectroscopic Analysis of Hard Tissues -- 4.1 Introduction -- 4.1.1 Hard Tissue Composition and Organization -- 4.1.2 Elements of Hard Tissues, Detectable by Vibrational Spectroscopy -- 4.2 Importance of Tissue Age versus Specimen Age -- 4.2.1 Biologically Important Questions That May Be Answered by This Type of Analysis -- 4.3 FT-IR Spectroscopy.

4.3.1 Specimen Preparation and Typical FT-IR Spectrum -- 4.3.2 Examples from Published Literature -- 4.4 Raman Spectroscopy -- 4.4.1 Instrumental Choices, Specimen Preparation, and Typical Raman Spectra -- 4.4.2 Bone: Typical Raman Bands and Parameters -- 4.4.3 Examples from Published Literature -- 4.5 Clinical Applications of Raman Spectroscopy -- References -- Chapter 5 Medical Applications of Infrared Spectral Imaging of Individual Cells -- 5.1 Introduction -- 5.2 Methods -- 5.2.1 Cell Collection and Culturing Methods -- 5.2.1.1 Exfoliated Cells -- 5.2.1.2 Cultured Cells -- 5.2.2 Sample Preparation -- 5.2.2.1 Sample Substrates -- 5.2.2.2 Sample Fixation -- 5.2.2.3 Sample Deposition -- 5.2.3 Data Acquisition -- 5.2.3.1 Infrared Instrumentation -- 5.2.3.2 PapMap Methodology -- 5.2.4 Methods of Data Analysis -- 5.2.4.1 Correction for R-Mie Effects and Data Preprocessing -- 5.2.4.2 Principal Component Analysis (PCA) -- 5.2.4.3 Diagnostic Algorithms -- 5.3 Results and Discussion -- 5.3.1 General Aspects of SCP -- 5.3.2 Fixation Studies -- 5.3.2.1 Fixation Studies of Exfoliated Cells -- 5.3.2.2 Fixation Effects of Cultured Cells -- 5.3.3 Spectral Cytopathology: Distinction of Cell Types and Disease in Human Urine-Borne Cells and Oral, Cervical, and Esophageal Cells -- 5.3.3.1 SCP of Urine-Borne Cells -- 5.3.3.2 SCP of Oral Mucosa Cells -- 5.3.3.3 SCP of the Cervical Mucosa -- 5.3.3.4 SCP of Esophageal Cells -- 5.3.4 SCP of Live Cells in Aqueous Environment -- 5.4 Future Potential of SCP/Conclusions -- Acknowledgment -- References -- Part III Agriculture, Plants, and Food -- Chapter 6 Infrared and Raman Spectroscopic Mapping and Imaging of Plant Materials -- 6.1 Introduction, Background, and Perspective -- 6.2 Application of Mapping and Imaging to Horticultural Crops -- 6.2.1 Carotenoids -- 6.2.2 Polyacetylenes -- 6.2.3 Flavonoids.

6.2.4 Essential Oils -- 6.2.5 Tissue Constituents -- 6.2.6 Environmental Interactions and Processing -- 6.3 Application of Mapping and Imaging to Agricultural Crops -- 6.3.1 Tissue-Specific Functional-Group Analysis -- 6.3.2 Cell Wall Microstructure -- 6.3.2.1 Carbohydrates and the Endosperm -- 6.3.2.2 Protein Secondary Structure -- 6.3.2.3 Lignin and Cellulose -- 6.3.3 Environmental Impact and Processing -- 6.3.4 Uptake and Fate of Environmental Contaminants/Crop Protection Products -- 6.4 Mapping and Imaging of Wild Plants and Trees -- 6.4.1 Mapping and Imaging of Trees -- 6.4.1.1 IR Mapping and Imaging of Trees -- 6.4.1.2 Raman Mapping and Imaging of Trees -- 6.4.2 Mapping and Imaging of Arabidopsis thaliana -- 6.4.2.1 IR Mapping and Imaging -- 6.4.2.2 Raman Mapping and Imaging -- 6.4.3 Mapping and Imaging of Wild Plants -- 6.5 Application of Mapping and Imaging to Algae -- 6.5.1 Taxonomic Differentiation and Classification of Algae -- 6.5.2 Cell Wall Composition and Compound Distribution -- 6.5.3 Environmental Influences on Algae Metabolism -- 6.5.4 Chemometrical and Instrumental Developments -- 6.5.4.1 Raman Techniques -- 6.5.4.2 IR Techniques -- 6.6 Interaction Between Plant Tissue and Plant Pathogens -- 6.6.1 Bacterial Plant Pathogens -- 6.6.2 Fungal Plant Pathogens -- 6.6.3 Fungal Degradation of Plant Material -- 6.6.4 Interaction with Nonwoody Plants -- References -- Chapter 7 NIR Hyperspectral Imaging for Food and Agricultural Products -- 7.1 Introduction -- 7.1.1 A Brief History of NIR Spectral Imagers -- 7.1.2 When is NIR Hyperspectral Imaging Used for Food and Agricultural Products? -- 7.2 HSI as a ``Super'' NIR Analyzer.

7.2.1 Assessment and Quantification of Physicochemical or Sensory Properties of Food and Agricultural Products -- 7.2.2 Chemical Mapping -- 7.2.2.1 Fruit -- 7.2.2.2 Wood -- 7.2.2.3 Fish -- 7.2.2.4 Meat -- 7.2.2.5 Laboratory Batch Cultures -- 7.2.2.6 Kernels -- 7.2.2.7 Other Applications: Process Monitoring -- 7.2.2.8 Conclusion: Some Pitfalls of HSI When Used for Chemical Mapping -- 7.2.3 Analysis of the Physical Properties of the Food/Agricultural Items -- 7.3 NIR HS Imager as a ``Super'' Vision System -- 7.3.1 Why HS Imaging May Replace RGB Cameras for Sorting or Mixture Characterization -- 7.3.1.1 The Failure of RGB Systems in Food Quality Control -- 7.3.1.2 How Did Online NIR Imaging Emerge? -- 7.3.2 External Contamination (Foreign Bodies, Adulteration) -- 7.3.2.1 Foreign Bodies -- 7.3.2.2 Adulteration and Nonconformities -- 7.3.2.3 Surface Contaminations -- 7.3.3 Surface and Subsurface Defects -- 7.3.3.1 Human-Detectable Defects -- 7.3.3.2 Potential Defects: Chilling Injuries, Potential Greening Area -- 7.3.4 Detection of Internal Defects by Candling -- 7.3.4.1 Internal Foreign Bodies -- 7.3.4.2 Internal Tissue Defects -- 7.3.5 Classification of Biological Objects -- 7.3.5.1 Inspecting Small Objects -- 7.3.5.2 ROI in Multicompartment Products -- 7.3.6 Conclusion -- 7.4 Conclusion -- 7.4.1 When is NIR Imaging Worth Using in Online Settings? -- 7.4.1.1 Software -- 7.4.1.2 Hardware -- References -- Part IV Polymers and Pharmaceuticals -- Chapter 8 FT-IR and NIR Spectroscopic Imaging: Principles, Practical Aspects, and Applications in Material and Pharmaceutical Science -- 8.1 Introduction -- 8.2 Instrumentation for NIR and FT-IR Imaging -- 8.2.1 NIR Imaging in Diffuse Reflection -- 8.2.2 NIR Imaging in Transmission -- 8.2.3 FT-IR Imaging -- 8.2.3.1 Micro FT-IR Imaging -- 8.2.3.2 Macro FT-IR Imaging.

8.2.3.3 Measurement of an FT-IR Image.