拉曼电子书《Pharmaceutical Applications of Raman Spectroscopy》
Preface xi
Contributors xiii
1 Introduction to Raman Spectroscopy 1
Yukihiro Ozaki and Slobodan S ˇ asˇic′
1.1 History of Raman Spectroscopy 1
1.2 The Principle of Raman Spectroscopy 3
1.3 An Example of Simple Raman Spectrum: Raman
Spectrum of Water 4
1.4 Characteristics of Raman Spectroscopy 6
1.5 The Classic Theory of Raman Effect 7
1.5.1 Polarization Properties of Raman Scattering 11
1.6 The Quantum Theory of Raman Scattering 12
1.7 Cross Section 14
1.7.1 Magnitude of Raman Cross Section 15
1.8 Relevance to Pharmaceuticals 17
1.9 Resonance Raman Effect 22
1.10 Instrumentation for Raman Spectroscopy 24
1.10.1 Lasers 24
1.10.2 Spectrometer 25
1.10.3 Detectors 26
1.10.4 Optics 27
2 Quantitative Analysis of Solid Dosage Formulations
by Raman Spectroscopy 29
Steven E.J. Bell
2.1 Introduction 29
2.2 Quantitative Analysis 32
2.3 Instrumental Parameters 36
2.3.1 Sources of Noise 36
2.3.2 Range and Resolution 38
2.3.3 Wavenumber Calibration 40
2.4 Experimental Considerations 42
2.4.1 Fluorescence 42
2.4.2 Sampling 47
2.5 Nonstandard Samples 54
2.5.1 Powders 55
2.5.2 Other Solid/Semisolid Dosage Forms 57
2.5.3 Forensic Samples 58
2.6 Conclusions 59
References 60
3 Surface Enhanced Resonance Raman Scattering 65
W. Ewen Smith
3.1 Theory 67
3.1.1 Surface-Enhanced Resonance Raman
Scattering (SERRS) 69
3.1.2 Practical Application of SERS and SERRS 70
3.2 The Experimental Setup 73
3.3 Examples of SERS/SERRS Assays 76
3.3.1 Drugs of Abuse 76
3.3.2 Glucose 77
3.3.3 Mitoxantrone and Other Drugs 78
3.3.4 Proteins 79
3.3.5 DNA 80
3.3.6 Other Applications 81
References 83
4 Raman Spectroscopy for Identifying Polymorphs 85
Fred Laplant and Anne De Paepe
4.1 Introduction of Polymorphism 85
4.2 Instrumental Methods of Polymorph Characterization 87
4.3 Polymorph Screening 96
4.4 Process Control 99
4.5 Polymorph Quantitation 102
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4.6 Calibration Set and Sample Preparation 103
4.7 Quantitation 106
4.8 Intellectual Property 109
References 111
5 Raman Spectroscopy for Monitoring Real-time Processes
in the Pharmaceutical Industry 117
Kevin L. Davis, Mark S. Kemper and Ian R. Lewis
5.1 Introduction 117
5.2 A Brief History of Raman Spectroscopy 117
5.3 Basic Theory of Raman Spectroscopy 119
5.4 General Instrumentation for Raman Spectroscopy 120
5.4.1 Lasers 120
5.4.2 Optical Sampling 121
5.4.3 Spectrometer 121
5.4.4 Detector 121
5.5 The Choice—Dispersive or FT? 122
5.6 Process Analysis and PAT 122
5.7 Why Choose Raman as a PAT Tool? The Need for Raman 124
5.7.1 Raman PAT Analyzers 127
5.7.2 Off-Line and At-Line Analyzers Based on
Laboratory Instruments 128
5.7.3 In-line and On-line Analyzers Based on Ruggedized
Process Instrument 128
5.8 Data Analysis 131
5.9 Applications 132
5.9.1 Select Nonpharmaceutical Raman Application Areas 132
5.9.2 Specific Application Areas of Raman
Spectroscopy for PAT 132
5.9.3 Primary Manufacturing 132
5.9.4 Secondary Manufacturing 145
5.9.5 Raman Opportunities Outside of PAT 155
5.10 Conclusions 155
References 156
6 Raman Chemical Imaging of Solid Dosage Formulations 163
Slobodan S ˇ asˇic′
6.1 Methods for Chemical Imaging 164
6.1.1 Point and Line Mapping 165
6.1.2 Global Illumination Instruments 167
6.2 Data Analysis 169
6.2.1 Data Preprocessing 170
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6.2.2 Principal Component Analysis PCA 171
6.2.3 Self-Modeling Curve Resolution 172
6.3 Experimental 173
6.3.1 Sample Preparation 173
6.3.2 Instruments 173
6.3.3 Software 173
6.4 Applications 174
6.4.1 Tablets 174
6.4.2 Imaging of Spatially Resolved Materials with
Global Illumination Platform 187
6.4.3 Mapping of Beads 189
References 191
7 In vivo Raman Confocal Microspectroscopy of Skin 193
Andre van der Pol, William M. Riggs and Peter J. Caspers
7.1 Introduction 193
7.1.1 Major Methods Used Prior to In vivo Raman Spectroscopy 194
7.1.2 In vivo Raman Methodology 196
7.2 Applications 200
7.2.1 Effects of Topical Moisturizers 200
7.2.2 Drug Uptake into the Skin 201
7.2.3 Monitoring Transdermal Drug Delivery 203
7.2.4 Direct Monitoring of Retinol in the Stratum Corneum 207
7.2.5 Uptake of UV Filter Compounds from Sunscreen
Formulations 211
7.2.6 Raman Monitoring of Iontophoresis 213
7.2.7 Monitoring Effects of Medicinal Skin Treatments 214
7.2.8 Neutraceuticals 216
7.2.9 Future Areas of Application Development and Research 217
7.3 Summary and Discussion 218
References 219
8 Raman Microspectroscopy and Imaging of Active
Pharmaceutical Ingredients in Cells 223
Jian Ling
8.1 Introduction 223
8.2 Current Approaches to Drug Imaging 224
8.3 Raman Spectroscopy and Raman Imaging 225
8.4 Raman Microspectroscopy and Imaging for Drug Research 228
8.5 Raman Intensity, Fluorescence Background, and SNR 229
8.6 Techniques to Improve SNR in Raman Imaging 231
8.6.1 RR Scattering 231
8.6.2 FT Raman Scattering 231
8.6.3 Coherent Anti-Stokes Raman Scattering (CARS) 232
8.6.4 Surface-Enhanced Raman Scattering (SERS) 232
8.6.5 Time-Resolved Fluorescence-Rejection
Raman Spectroscopy 232
8.7 Enhanced Raman Images with Postprocessing 234
8.7.1 Noise Reduction Using Anisotropic
Median-Diffusion Filter 234
8.7.2 Correction of Nonuniform Illumination 234
8.7.3 Three-Dimensional Image Deconvolution 235
8.7.4 Elimination of Fluorescence Background from
Biological Specimen 238
8.8 Raman Imaging of Intracellular Distribution of Paclitaxel
in Living Cells 238
8.8.1 Paclitaxel and Its Characteristic Raman Band 238
8.8.2 Cell Preparation and Cell Raman Background 239
8.8.3 Imaging Instrumentation and Imaging Procedures 241
8.8.4 Data Processing and Analysis 243
8.9 Raman Imaging of Intracellular Distribution of Sulindac
Sulfide in Fixed Cells 249
8.9.1 Sulindac Sulfide and Its Characteristic Raman Band 249
8.9.2 Cell Preparation and Cell Raman Background 250
8.9.3 Imaging Instrumentation and Imaging Procedures 251
8.9.4 Data Processing and Analysis 252
8.10 Conclusions and Future Outlook 253
References 253
Index 259
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