Infrared and raman spectroscopic imaging

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Edited by
Reiner Salzer and
Heinz W. Siesler
Infrared and Raman Spectroscopic
Imaging

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Related Titles
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Edited by Reiner Salzer and Heinz W. Siesler

Infrared and Raman Spectroscopic Imaging
Second, Completely Revised and Updated Edition

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The Editors
Prof. Reiner Salzer

Bioanalytische Chemie
Technische Universität Dresden
Helmholtzstr 10
01062 Dresden
Germany

All books published by Wiley-VCH are
carefully produced. Nevertheless, authors,
editors, and publisher do not warrant the
information contained in these books,
including this book, to be free of errors.
Readers are advised to keep in mind that
statements, data, illustrations, procedural
details or other items may inadvertently
be inaccurate.

Prof. Heinz W. Siesler

Universität Duisburg-Essen
Inst. f. Physikalische Chemie
Schützenbahn 70
45117 Essen
Germany

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V

Contents
Preface XVII
List of Contributors XIX
Part I

Basic Methodology 1

1

Infrared and Raman Instrumentation for Mapping and Imaging
Peter R. Griffiths and Ellen V. Miseo

1.1
1.2
1.2.1
1.2.2
1.2.3
1.2.4
1.2.5

1.2.6
1.2.7
1.3
1.3.1
1.3.2
1.3.3
1.3.4
1.4
1.5
1.6
1.6.1
1.6.2
1.6.3
1.7
1.8

Introduction to Mapping and Imaging 3
Mid-Infrared Microspectroscopy and Mapping 4
Diffraction-Limited Microscopy 4
Microscopes and Sampling Techniques 6
Detectors for Mid-Infrared Microspectroscopy 9
Sources for Mid-Infrared Microspectroscopy 11
Spatial Resolution 14
Transmission Microspectroscopy 18
Attenuated Total Reflection Microspectroscopy 19
Raman Microspectroscopy and Mapping 20
Introduction to Raman Microspectroscopy 20
CCD Detectors 24
Spatial Resolution 26
Tip-Enhanced Raman Spectroscopy 29

Near-Infrared Hyperspectral Imaging 30
Raman Hyperspectral Imaging 35
Mid-Infrared Hyperspectral Imaging 37
Spectrometers Based on 2D Array Detectors 37
Spectrometers Based on Hybrid Linear Array Detectors
Sampling 45
Mapping with Pulsed Terahertz Radiation 48
Summary 52
Acknowledgments 54
References 54

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3


VI

Contents

2

Chemometric Tools for Image Analysis 57
Anna de Juan, Sara Piqueras, Marcel Maeder, Thomas Hancewicz,
Ludovic Duponchel, and Romà Tauler

2.1
2.2

2.2.1
2.3
2.3.1
2.3.1.1
2.3.1.2
2.3.1.3

Introduction 57
Hyperspectral Images: The Measurement 58
The Data Set and the Underlying Model 58
Image Preprocessing 60
Signal Preprocessing 61
De-noising 61
Baseline Correction 61
Detection and Suppression of Anomalous Pixels or Anomalous
Spectral Readings 63
Data Pretreatments 63
Image Compression 64
Exploratory Image Analysis 65
Classical Image Representations: Limitations 65
Multivariate Image Analysis (MIA) and Principal Component
Analysis (PCA) 66
Quantitative Image Information: Multivariate Image Regression
(MIR) 70
Image Segmentation 73
Unsupervised and Supervised Segmentation Methods 74
Hard and Fuzzy Segmentation Approaches 78
Including Spatial Information in Image Segmentation 79
Image Resolution 80
The Image Resolution Concept 80

Spatial and Spectral Exploration 81
The Resolution Process: Initial Estimates and Constraints 86
Image Multiset Analysis 91
Resolution Postprocessing: Compound Identification, Quantitative
Analysis, and Superresolution 95
Compound Identification 98
Quantitative Analysis 100
Superresolution 104
Future Trends 106
References 106

2.3.2
2.3.3
2.4
2.4.1
2.4.2
2.5
2.6
2.6.1
2.6.2
2.6.3
2.7
2.7.1
2.7.2
2.7.3
2.7.4
2.7.5
2.7.5.1
2.7.5.2
2.7.5.3

2.8

Part II

Biomedical Applications 111

3

Vibrational Spectroscopic Imaging of Soft Tissue
Christoph Krafft and Jürgen Popp

3.1
3.1.1
3.1.2
3.1.3

Introduction 113
Epithelium 114
Connective Tissue and Extracellular Matrix
Muscle Tissue 116

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113


Contents

3.1.4
3.2
3.2.1
3.2.2
3.2.3
3.2.4
3.3
3.3.1
3.3.2
3.3.2.1
3.3.2.2
3.3.2.3
3.3.2.4
3.3.3
3.3.4
3.4

Nervous Tissue 117
Preparation of Soft Tissue for Vibrational Spectroscopic
Imaging 118
General Preparation Strategies 118
Vibrational Spectra of Reference Material 120
Preparation for FT-IR Imaging 121
Preparation for Raman Imaging 123
Applications to Soft Tissue 125
Colon Tissue 125
Brain Tissue and Brain Tumors 130
Mouse Brains 130
Primary Brain Tumors 132
Secondary Brain Tumors 134

Cellular Resolution 137
Cervix Uteri and Squamous Cell Carcinoma 139
Atherosclerosis 143
Conclusions 145
References 147

4

Vibrational Spectroscopic Analysis of Hard Tissues 153
Sonja Gamsjaeger, Richard Mendelsohn, Klaus Klaushofer, and
Eleftherios P. Paschalis

4.1
4.1.1
4.1.2

Introduction 153
Hard Tissue Composition and Organization 153
Elements of Hard Tissues, Detectable by Vibrational
Spectroscopy 153
Importance of Tissue Age versus Specimen Age 155
Biologically Important Questions That May Be Answered by This
Type of Analysis 155
FT-IR Spectroscopy 156
Specimen Preparation and Typical FT-IR Spectrum 156
Examples from Published Literature 158
Raman Spectroscopy 160
Instrumental Choices, Specimen Preparation, and Typical Raman
Spectra 160
Bone: Typical Raman Bands and Parameters 161

Examples from Published Literature 163
Clinical Applications of Raman Spectroscopy 165
References 166

4.2
4.2.1
4.3
4.3.1
4.3.2
4.4
4.4.1
4.4.2
4.4.3
4.5

5

Medical Applications of Infrared Spectral Imaging of Individual
Cells 181
Max Diem, Jennifer Schubert, Miloš Miljkovi´c, Kostas Papamarkakis,
Antonella I. Mazur, Ellen Marcsisin, Jennifer Fore, Benjamin Bird,
Kathleen Lenau, Douglas Townsend, Nora Laver, and Max Almond

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VIII

Contents

5.1
5.2
5.2.1
5.2.1.1
5.2.1.2
5.2.2
5.2.2.1
5.2.2.2
5.2.2.3
5.2.3
5.2.3.1
5.2.3.2
5.2.4
5.2.4.1
5.2.4.2
5.2.4.3
5.3
5.3.1
5.3.2
5.3.2.1
5.3.2.2
5.3.3

5.3.3.1
5.3.3.2
5.3.3.3
5.3.3.4
5.3.4

5.4

Introduction 181
Methods 183
Cell Collection and Culturing Methods 183
Exfoliated Cells 183
Cultured Cells 183
Sample Preparation 184
Sample Substrates 184
Sample Fixation 184
Sample Deposition 184
Data Acquisition 185
Infrared Instrumentation 185
PapMap Methodology 185
Methods of Data Analysis 188
Correction for R-Mie Effects and Data Preprocessing 188
Principal Component Analysis (PCA) 190
Diagnostic Algorithms 190
Results and Discussion 191
General Aspects of SCP 191
Fixation Studies 194
Fixation Studies of Exfoliated Cells 195
Fixation Effects of Cultured Cells 198
Spectral Cytopathology: Distinction of Cell Types and Disease in
Human Urine-Borne Cells and Oral, Cervical, and Esophageal
Cells 200
SCP of Urine-Borne Cells 200
SCP of Oral Mucosa Cells 202
SCP of the Cervical Mucosa 210
SCP of Esophageal Cells 212

SCP of Live Cells in Aqueous Environment 216
Future Potential of SCP/Conclusions 218
Acknowledgment 219
References 220
Part III

Agriculture, Plants, and Food 225

6

Infrared and Raman Spectroscopic Mapping and Imaging of Plant
Materials 227
Hartwig Schulz, Andrea Krähmer, Annette Naumann, and Gennadi Gudi

6.1
6.2
6.2.1
6.2.2
6.2.3
6.2.4
6.2.5

Introduction, Background, and Perspective 227
Application of Mapping and Imaging to Horticultural Crops 229
Carotenoids 229
Polyacetylenes 232
Flavonoids 234
Essential Oils 236
Tissue Constituents 241

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6.2.6
6.3
6.3.1
6.3.2
6.3.2.1
6.3.2.2
6.3.2.3
6.3.3
6.3.4
6.4
6.4.1
6.4.1.1
6.4.1.2
6.4.2
6.4.2.1
6.4.2.2
6.4.3
6.5
6.5.1
6.5.2
6.5.3
6.5.4
6.5.4.1
6.5.4.2
6.6

6.6.1
6.6.2
6.6.3
6.6.4

Environmental Interactions and Processing 242
Application of Mapping and Imaging to Agricultural Crops 244
Tissue-Specific Functional-Group Analysis 245
Cell Wall Microstructure 246
Carbohydrates and the Endosperm 246
Protein Secondary Structure 250
Lignin and Cellulose 250
Environmental Impact and Processing 251
Uptake and Fate of Environmental Contaminants/Crop Protection
Products 253
Mapping and Imaging of Wild Plants and Trees 254
Mapping and Imaging of Trees 256
IR Mapping and Imaging of Trees 256
Raman Mapping and Imaging of Trees 258
Mapping and Imaging of Arabidopsis thaliana 261
IR Mapping and Imaging 261
Raman Mapping and Imaging 262
Mapping and Imaging of Wild Plants 262
Application of Mapping and Imaging to Algae 264
Taxonomic Differentiation and Classification of Algae 265
Cell Wall Composition and Compound Distribution 266
Environmental Influences on Algae Metabolism 268
Chemometrical and Instrumental Developments 271
Raman Techniques 271
IR Techniques 272

Interaction Between Plant Tissue and Plant Pathogens 273
Bacterial Plant Pathogens 274
Fungal Plant Pathogens 275
Fungal Degradation of Plant Material 279
Interaction with Nonwoody Plants 282
References 282

7

NIR Hyperspectral Imaging for Food and Agricultural Products 295
Véronique Bellon-Maurel and Nathalie Gorretta

7.1
7.1.1
7.1.2

Introduction 295
A Brief History of NIR Spectral Imagers 295
When is NIR Hyperspectral Imaging Used for Food and Agricultural
Products? 297
HSI as a “Super” NIR Analyzer 298
Assessment and Quantification of Physicochemical or Sensory
Properties of Food and Agricultural Products 298
Chemical Mapping 300
Fruit 300
Wood 301
Fish 301

7.2
7.2.1

7.2.2
7.2.2.1
7.2.2.2
7.2.2.3

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X

Contents

7.2.2.4
7.2.2.5
7.2.2.6
7.2.2.7
7.2.2.8
7.2.3
7.3
7.3.1
7.3.1.1
7.3.1.2
7.3.2
7.3.2.1
7.3.2.2
7.3.2.3
7.3.3
7.3.3.1

7.3.3.2
7.3.4
7.3.4.1
7.3.4.2
7.3.5
7.3.5.1
7.3.5.2
7.3.6
7.4
7.4.1
7.4.1.1
7.4.1.2

Meat 303
Laboratory Batch Cultures 304
Kernels 305
Other Applications: Process Monitoring 305
Conclusion: Some Pitfalls of HSI When Used for Chemical
Mapping 306
Analysis of the Physical Properties of the Food/Agricultural
Items 308
NIR HS Imager as a “Super” Vision System 310
Why HS Imaging May Replace RGB Cameras for Sorting or Mixture
Characterization 310
The Failure of RGB Systems in Food Quality Control 310
How Did Online NIR Imaging Emerge? 311
External Contamination (Foreign Bodies, Adulteration) 312
Foreign Bodies 313
Adulteration and Nonconformities 315
Surface Contaminations 315

Surface and Subsurface Defects 317
Human-Detectable Defects 318
Potential Defects: Chilling Injuries, Potential Greening Area 320
Detection of Internal Defects by Candling 320
Internal Foreign Bodies 321
Internal Tissue Defects 322
Classification of Biological Objects 323
Inspecting Small Objects 323
ROI in Multicompartment Products 324
Conclusion 325
Conclusion 326
When is NIR Imaging Worth Using in Online Settings? 326
Software 327
Hardware 327
References 328
Part IV

Polymers and Pharmaceuticals 339

8

FT-IR and NIR Spectroscopic Imaging: Principles, Practical Aspects, and
Applications in Material and Pharmaceutical Science 341
Elke Grotheer, Christian Vogel, Olga Kolomiets, Uwe Hoffmann,
Miriam Unger, and Heinz W. Siesler

8.1
8.2
8.2.1
8.2.2

8.2.3
8.2.3.1

Introduction 341
Instrumentation for NIR and FT-IR Imaging 343
NIR Imaging in Diffuse Reflection 343
NIR Imaging in Transmission 345
FT-IR Imaging 345
Micro FT-IR Imaging 346

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Contents

8.2.3.2
8.2.3.3
8.2.3.4
8.2.3.5
8.3
8.3.1
8.3.2
8.3.2.1
8.3.2.2
8.3.3
8.3.3.1
8.3.3.2
8.3.4
8.4
8.4.1

8.4.2
8.4.3
8.5
8.5.1
8.5.2
8.5.3
8.5.4
8.5.5

Macro FT-IR Imaging 347
Measurement of an FT-IR Image 348
Possible Artifacts Encountered in FT-IR/ATR Imaging 349
Spatial Resolution of FT-IR Imaging Measurements 354
Applications of FT-IR and FT-NIR Imaging for Polymer
Characterization 361
Investigation of Phase Separation in Biopolymer Blends 361
Imaging Anisotropic Materials with Polarized Radiation 364
Blends of PHB and PLA 364
Stress-Induced Phase Transformation in Poly(vinylidene
Fluoride) 368
Applications of FT-NIR Imaging for Diffusion Studies 370
Experimental 372
Results and Discussion 373
Conclusions 378
NIR Imaging Spectroscopy for Quality Control of Pharmaceutical
Drug Formulations 378
Quantitative Determination of Active Ingredients in a
Pharmaceutical Drug Formulation 379
Spatial Distribution of the Active Ingredients in a Pharmaceutical
Drug Formulation 381

Conclusions 386
FT-IR Spectroscopic Imaging of Inorganic Materials 387
Introduction 387
Experimental 388
Determination of P-Fertilizer–Soil Reactions 388
Determination of Mineral Phases in Soils 392
Conclusion 393
References 394

9

FT-IR Imaging in ATR and Transmission Modes: Practical
Considerations and Emerging Applications 397
Jennifer Andrew Dougan, K. L. Andrew Chan, and Sergei G. Kazarian

9.1
9.1.1
9.1.2
9.2
9.2.1
9.2.2
9.2.3
9.2.3.1

FT-IR Imaging: Introduction 397
ATR FT-IR Imaging 398
Transmission FT-IR Imaging 400
FT-IR Imaging: Technical Considerations 401
Transmission FT-IR Imaging: Mapping Versus FPA 401
ATR FT-IR Imaging: Mapping Versus FPA 401

ATR FT-IR Imaging: Field of View 402
Overview of ATR FT-IR Imaging Approaches: Micro (Ge), Macro
(Diamond, Si), Expanded FOV (ZnSe), Variable Angle 402
Micro-ATR FT-IR Imaging 403
Diamond ATR FT-IR Imaging 404
Expanded FOV (ZnSe) 406

9.2.3.2
9.2.3.3
9.2.3.4

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XII

Contents

9.2.4
9.2.5
9.3
9.3.1
9.3.1.1
9.3.1.2
9.3.1.3
9.3.2
9.3.2.1
9.3.2.2

9.3.2.3
9.3.2.4
9.3.3
9.3.3.1
9.3.3.2
9.3.4
9.3.4.1
9.3.4.2
9.3.5
9.3.5.1
9.3.5.2
9.4

ATR FT-IR Imaging: Depth of Penetration 407
ATR FT-IR Imaging: Quantitation 408
Practical Applications 410
Materials Characterization of Polymer Interfaces and Blends 410
Investigating a Polymer: Carbon Fiber Interface 410
Polystyrene: Polyethylene Blend–Imaging the Effect of a
Compatibilizer 411
Hydrogels 412
Pharmaceuticals: Studying Tablets, Dissolution, Drug Diffusion, and
Biopharmaceuticals 413
Imaging of Compacted Tablets 413
ATR FT-IR Imaging of Tablet Dissolution 415
ATR FT-IR Imaging of Drug Diffusion Across Tissue Sections:
Biomedical Applications 419
Biopharmaceuticals Development: Optimizing Protein
Crystallization 421
Forensics Applications 424

Imaging of Counterfeit Tablets 424
Detection of Trace Materials and Chemical Fingerprinting 425
Imaging of Live Cells 427
ATR FT-IR Imaging of Live Cells 427
Transmission Mode FT-IR Imaging of Live Cells in Microfluidic
Devices 427
High-Throughput Studies with ATR FT-IR Imaging 430
Transmission Mode High-Throughput Imaging 432
Imaging and Microfluidics 433
Conclusion and Outlook 436
Acknowledgment 437
References 438

10

Terahertz Imaging of Drug Products 445
Michel Ulmschneider

10.1
10.2
10.2.1
10.2.2
10.3
10.3.1
10.3.1.1
10.3.1.2
10.3.1.3
10.3.2
10.3.3
10.4

10.4.1

Introduction 445
Low Wavenumber Region in the Infrared Spectrum
Far-Infrared Spectroscopy 446
THz Spectroscopy 448
THz-TDS Technology and Applications 448
THz Pulse Generation and Detection 448
Emission 448
Reception 449
Sampling 450
Current Applications of THz Spectroscopy 450
Concise Description of THz Imaging 451
THz Imaging in the Pharmaceutical Industry 452
Introduction 452

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Contents

10.4.2
10.4.3
10.4.4
10.4.5
10.4.6
10.5
10.6

10.7

Imaging of Solid Dosage Forms 453
Investigating Pharmaceutical Samples by Means of THz
Imaging 455
Experimental Setup to Measure Solid Dosage Forms 458
Typical Applications to Solid Dosage Forms 460
Discussion 468
Going Forward 470
Competition versus Cost: A Challenge for the Future 471
Conclusion 472
Acknowledgments 472
References 473
Part V

Imaging Beyond the Diffraction Limit 477

11

Spectroscopic Imaging of Biological Samples Using Near-Field
Methods 479
Lucas Langelüddecke, Tanja Deckert-Gaudig, and Volker Deckert

11.1
11.1.1
11.1.2
11.1.3
11.1.3.1
11.2
11.2.1

11.2.1.1
11.2.1.2
11.2.2

Tip-Enhanced Raman Scattering (TERS) 479
From SERS to TERS 479
Investigation of Nonbiological Samples with TERS 480
Technical Considerations of TERS 481
Application 481
Detection of Biomolecules 483
Differentiation/Identification of Single Biomolecules 484
Amino Acids 484
DNA/RNA Nucleobases and Derivatives 487
Detection of Structural/Chemical Changes on a Molecular
Level 491
Biopolymers 494
DNA/RNA Strands 495
Proteins and Fibrils 496
Membranes, Viruses, and Bacteria 500
Conclusion 505
References 505

11.3
11.3.1
11.3.2
11.4
11.5

12

Infrared Mapping below the Diffraction Limit 513
Peter R. Griffiths and Ellen V. Miseo

12.1
12.1.1
12.1.2
12.1.3
12.2
12.3

Introduction and Description of Early Work 513
Near-Field Microscopy with Small Apertures 513
Scanning Photothermal Microscopy and Microspectroscopy 515
First Description of AFM/FT-IR 518
Near-Field Microscopy by Elastic Scattering from a Tip 519
Combination of AFM and Photothermal FT-IR Spectroscopy 529
References 538

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XIV

Contents

Part VI

Developments in Methodology 541

543

13

Subsurface Raman Spectroscopy in Turbid Media
Pavel Matousek

13.1
13.2
13.2.1
13.2.2
13.2.3
13.2.4
13.2.5
13.3
13.3.1
13.3.2

Introduction 543
Techniques for Deep Noninvasive Raman Spectroscopy 544
Spatially Offset Raman Spectroscopy (SORS) 544
Inverse SORS 547
Transmission Raman Spectroscopy 548
Raman Tomography 549
SESORS 549
Examples of Application Areas 550
Probing of Bones through Skin for Disease Diagnosis 550
Chemical Identification of Calcifications in Breast Cancer
Lesions 554

Cancer Margins 554
Glucose Detection 555
Probing of Pharmaceutical Tablets and Capsules in Quality
Control 556
Forensic and Security Applications 556
Conclusions 558
References 558

13.3.2.1
13.3.2.2
13.3.3
13.3.4
13.4

14

Nonlinear Vibrational Spectroscopic Microscopy of Cells and
Tissue 561
Roberta Galli and Gerald Steiner

14.1
14.2
14.2.1
14.2.2
14.2.3
14.3
14.3.1
14.3.2
14.3.3
14.4

14.4.1
14.4.2
14.4.3

Introduction 561
Principles of Nonlinear Optical Imaging 562
Important Processes for Nonlinear Optical Imaging 562
Coherent Anti-Stokes Raman Scattering 563
CARS Microscopy 567
Instrumentation for Multimodal Nonlinear Microscopy 568
Laser Sources 568
Optics 570
Scanning Microscope 571
Applications 572
Identification of Tumor Tissue 572
Brain Structures and Brain Tumors 574
Normal and Injured Spinal Cord 576
References 580

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Contents

15

Widefield FT-IR 2D and 3D Imaging at the Microscale Using
Synchrotron Radiation 585
Eric C. Mattson, Miriam Unger, Julia Sedlmair, Michael Nasse, Ebrahim
Aboualizadeh, Zahrasadat Alavi, and Carol J. Hirschmugl

15.1
15.1.1
15.1.2

Introduction 585
Synchrotron IR Radiation Sources 585
Synchrotron-Based Infrared Raster-Scanned (IR SR)
Spectromicroscopy 586
Synchrotron-Based Infrared Widefield Spectromicroscopy 586
Synchrotron-Based Infrared Spectromicrotomography 588
Optical Evaluation 588
Microscopy Optics and Diffraction-Limited Resolution 588
Experimental and Simulated Point Spread Functions 589
Mathematical Evaluation of Hyperspectral Cubes 590
Hyperspectral Deconvolution 590
3D Spectromicrotomographic Reconstruction 593
Widefield versus Raster Scanning Geometries 595
Effects of Numerical Aperture, Spatial Oversampling, and
Deconvolution on Spatial Resolution 595
Signal-to-Noise Ratio Comparisons 597
Time–Area Trade-Off 598
New Directions: Spectromicrotomography 600
Examples 600
General Applications 600
Nanocellulose 600
Matisse 603
Influence of Deconvolution 604
Labeled Cells 604
Layered Polymers–Transmission and Reflection 604

Time-Dependent Infrared Imaging 609
Algal Biochemistry: Diatom Response to Changes in Carbon Dixide
Supply 609
Surface Chemistry: NH3 Adsorption on Reduced Graphene
Oxide 611
Infrared Spectromicrotomography 611
Human Hair 611
Populus–Cell Walls of Wood 613
Conclusions 615
References 616

15.1.3
15.1.4
15.2
15.2.1
15.2.2
15.3
15.3.1
15.3.2
15.4
15.4.1
15.4.2
15.4.3
15.4.4
15.5
15.5.1
15.5.1.1
15.5.1.2
15.5.2
15.5.2.1

15.5.2.2
15.5.3
15.5.3.1
15.5.3.2
15.5.4
15.5.4.1
15.5.4.2
15.6

Index

619

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XVII

Preface

Five years after the completion of the first edition of this book, Wiley-VCH
approached us with the request to prepare a second edition. On the one
hand, this was certainly a consequence of the successful marketing of this
book but, on the other hand, we accepted this challenge because since the
publication of the first edition numerous new instrumental developments and

improvements as well as a significant expansion of the imaging technique
have taken place. Thus, for example, the combination of IR imaging with
atomic force microscopy (AFM) enhanced the achievable lateral resolution
by an order of magnitude down to a few hundred nanometers and thereby
launched a multiplicity of new applications in material science. Furthermore,
Raman and IR spectroscopic imaging studies have become key technologies for the life sciences and today contribute tremendously to a better and
more detailed understanding of numerous biological and medical research
topics.
In order to cover these novel developments, the chapters of the previous
edition have not only been updated but new chapters have been added. For
this purpose, the topical structure of the new edition had to be extended and
is now subdivided into four parts. In Part 1, the fundamentals of the instrumentation for infrared and Raman imaging and mapping and an overview
on the chemometric tools for image analysis are treated in two introductory
chapters. Part 2 comprises Chapters 3–10 and describes a wide variety of
applications ranging from biomedical via food, agriculture, and plants to polymers and pharmaceuticals. In Part 3, Chapters 11 and 12 describe imaging
techniques operating beyond the diffraction limit, and finally Part 4 (Chapters
13–15) covers special methodical developments and their utility in specific
fields.
We would like to thank the authors of the previous edition for the
willingness to contribute again the latest achievements in their field of
research and gratefully acknowledge the spontaneous agreement of the
new authors to add their expertise to the new edition. We are fully aware
that without the effort, commitments, and sacrifices of these authors,
the timely publication of this volume would not have been possible. We

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Preface

would also like to acknowledge the superb job and professional support by
Wiley-VCH in the final composition and edition of the book. Last but not
least, our greatest debt of gratitude goes to our families for their patience and
understanding.
Dresden and Essen
January 2014

Reiner Salzer and
Heinz W. Siesler

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XIX

List of Contributors
Ebrahim Aboualizadeh

Benjamin Bird

University of
Wisconsin-Milwaukee
Department of Physics
Milwaukee, WI 53211
USA

Northeastern University
Laboratory for Spectral

Diagnosis (LSpD)
Department of Chemistry and
Chemical Biology
360 Huntington Ave
Boston, MA 02115
USA

Zahrasadat Alavi

University of WisconsinMilwaukee
Department of Physics
Milwaukee, WI 53211
USA
Max Almond

Gloucestershire Hospitals NHS
Foundation Trust
Department of Esophagogastric
Surgery
Great Western Road
Gloucester, GL13NN
UK
V´eronique Bellon-Maurel

IRSTEA – Montpellier Supagro
UMR ITAP, Information –
Technologies – Environmental
Analysis – Agricultural
Processes
BP 50 95, Montpellier Cedex 1,

34033
France

K. L. Andrew Chan

Department of Chemical
Engineering
Imperial College London
London, SW7 2AZ
United Kingdom
Volker Deckert

Institute of Physical Chemistry
and Abbe Center of Photonics
University of Jena
Helmholtzweg 4
07743 Jena
Germany
and
Leibniz Institute of Photonic
Technology – IPHT
Albert-Einstein-Str. 9
07745 Jena
Germany

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XX

List of Contributors

Tanja Deckert-Gaudig

Roberta Galli

Leibniz Institute of Photonic
Technology – IPHT
Nanoscopy department
Albert-Einstein-Str. 9
07745 Jena
Germany

Dresden University of
Technology
Carl Gustav Carus Faculty of
Medicine
Clinical Sensoring and
Monitoring
Fetscher Str. 74
01307 Dresden
Germany

Max Diem

Northeastern University
Laboratory for Spectral
Diagnosis (LSpD)
Department of Chemistry and
Chemical Biology

360 Huntington Ave
Boston, MA 02115
USA
Jennifer A. Dougan

Department of Chemical
Engineering
Imperial College London
London, SW7 2AZ
United Kingdom

Sonja Gamsjaeger

Hanusch Hospital
1st Medical Department, Ludwig
Boltzmann Institute of Osteology
at the Hanusch Hospital of
WGKK and AUVA Trauma
Centre Meidling
Heinrich Collin Str. 30
A-1140, Vienna
Austria
Nathalie Gorretta

Ludovic Duponchel

Université Lille 1. Sciences et
Technologies de Lille (USTL)
Laboratoire de Spectrochimie
Infrarouge et Raman (LASIR

CNRS UMR 8516)
Bâtiment C5
Villeneuve d’Ascq, 59655
France
Jennifer Fore

Northeastern University
Laboratory for Spectral
Diagnosis (LSpD)
Department of Chemistry and
Chemical Biology
360 Huntington Ave
Boston, MA 02115
USA

IRSTEA – Montpellier Supagro
UMR ITAP
Information – Technologies –
Environmental Analysis –
Agricultural Processes
BP 50 95, Montpellier Cedex 1
34033
France
Peter R. Griffiths

Griffiths Consulting LLC
4150 Edgehill Drive
Ogden, UT 84403
USA
Elke Grotheer

Beiersdorf AG
Research & Development
Unnastraße 48
D 20253 Hamburg
Germany

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List of Contributors

Gennadi Gudi

Anna de Juan

Julius Kühn-Institute
Federal Research Centre for
Cultivated Plants
Institute for Ecological
Chemistry
Plant Analysis and Stored
Product Protection
Königin-Luise-Strasse 19
14195 Berlin
Germany

Universitat de Barcelona
Department of Analytical
Chemistry

Chemometrics group
Diagonal 645
Barcelona, 08028
Spain

Thomas Hancewicz

Unilever Research &
Development
Trumbull. 40 Merrit Blvd.
Trumbull, CT 06611
USA
Carol J. Hirschmugl

University of WisconsinMilwaukee
Department of Physics
Milwaukee, WI 53211
USA

Sergei G. Kazarian

Department of Chemical
Engineering
Imperial College London
London SW7 2AZ
United Kingdom
Klaus Klaushofer

Hanusch Hospital
1st Medical Department, Ludwig

Boltzmann Institute of Osteology
at the Hanusch Hospital of
WGKK and AUVA Trauma
Centre Meidling
Heinrich Collin Str. 30
Vienna, A-1140
Austria

and
Olga Kolomiets

US Forest Service
Forest Products Laboratory
One Gifford Pinchot Drive
adison, WI 53726
USA
Uwe Hoffmann

NIR-Tools
Katernberger Straße 107
D 45327 Essen
Germany

MS S.P.R.L.,
206/9 Avenue van Overbeke
BE 1083 Ganshoren
Belgium
Christoph Krafft

Institute of Photonic Technology

07745 Jena
Germany

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XXI


XXII

List of Contributors

Andrea Krăa hmer

Ellen Marcsisin

Julius Kỹhn-Institute
Federal Research Centre for
Cultivated Plants
Institute for Ecological
Chemistry
Plant Analysis and Stored
Product Protection
Königin-Luise-Strasse 19
14195 Berlin
Germany

Northeastern University
Department of Chemistry and
Chemical Biology

Laboratory for Spectral
Diagnosis (LSpD)
360 Huntington Ave
Boston, MA 02115
USA

Lucas Langelău ddecke

Institute of Physical Chemistry
and Abbe Center of Photonics
Nanospectroscopy department
University of Jena
Helmholtzweg 4
07743 Jena
Germany
Nora Laver

Tufts Medical Center
Department of Pathology
Boston, MA
USA

Eric C. Mattson

University of
Wisconsin-Milwaukee
Department of Physics
Milwaukee, WI 53211
USA
Pavel Matousek

STFC Rutherford Appleton
Laboratory
Central Laser Facility
Research Complex at Harwell
Harwell Oxford, OX11 0QX
UK
Antonella I. Mazur

Kathleen Lenau

Northeastern University
Department of Chemistry and
Chemical Biology
Laboratory for Spectral
Diagnosis (LSpD)
360 Huntington Ave
Boston, MA 02115
USA
Marcel Maeder

The University of Newcastle
Department of Chemistry
Callaghan NSW, 2308
Australia

Northeastern University
Department of Chemistry and
Chemical Biology
Laboratory for Spectral

Diagnosis (LSpD)
360 Huntington Ave
Boston, MA 02115
USA
Miloˇs Miljkovi´c

Northeastern University
Department of Chemistry and
Chemical Biology
Laboratory for Spectral
Diagnosis (LSpD)
360 Huntington Ave
Boston, MA 02115
USA

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List of Contributors

Ellen V. Miseo

Kostas Papamarkakis

Analytical Answers, Inc.
4 Arrow Drive, Woburn
MA 01801
USA

Northeastern University

Department of Chemistry and
Chemical Biology
Laboratory for Spectral
Diagnosis (LSpD)
360 Huntington Ave
Boston, MA 02115
USA

Richard Mendelsohn

Rutgers University
Department of Chemistry
Newark College
New Jersey, 07102 Newark
USA
Annette Naumann

Julius Kühn-Institute
Federal Research Centre for
Cultivated Plants
Institute for Ecological
Chemistry
Plant Analysis and Stored
Product Protection
Königin-Luise-Strasse 19
14195 Berlin
Germany
Michael Nasse

University of

Wisconsin-Milwaukee
Department of Physics
Milwaukee, WI 53211
USA
and
Laboratory for Applications of
Synchrotron Radiation
Karlsruhe Institute of
Technology
Karlsruhe
Germany

Eleftherios P. Paschalis

Hanusch Hospital
1st Medical Department, Ludwig
Boltzmann Institute of Osteology
at the Hanusch Hospital of
WGKK and AUVA Trauma
Centre Meidling
Heinrich Collin Str. 30
A-1140 Vienna
Austria
Sara Piqueras

Universitat de Barcelona
Department of Analytical
Chemistry, Chemometrics
group, Diagonal 645
Barcelona, 08028

Spain
and
IDAEA-CSIC
Jordi Girona 18
Barcelona, 08034
Spain
Jău rgen Popp

Institute of Physical Chemistry
and Abbe Center of Photonics
University Jena
Helmholtzweg 4 Jena, 07743
Germany
and

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XXIII