Table of Contents
Cover
Title Page
Copyright
Dedication
Preface
References
Preface to Introduction to Modern Vibrational Spectroscopy (1994)
References
Part I: Modern Vibrational Spectroscopy and Micro-spectroscopy: Theory, Instrumentation and Biomedical Applications: Introduction
Chapter 1: Molecular Vibrational Motion
1.1 The concept of normal modes of vibration
1.2 The separation of vibrational, translational, and rotational coordinates
1.3 Classical vibrations in mass-weighted Cartesian displacement coordinates
1.4 Quantum mechanical description of molecular vibrations
1.5 Time-dependent description and the transition moment
1.6 Basic infrared and Raman spectroscopies
1.7 Concluding remarks
References
Chapter 2: Symmetry Properties of Molecular Vibrations
2.1 Symmetry operations and symmetry groups
2.2 Group representations
2.3 Symmetry representations of molecular vibrations
2.4 Symmetry-based selection rules for absorption processes
2.5 Selection rules for Raman scattering
2.6 Discussion of selected small molecules
References
Chapter 3: Infrared Spectroscopy
3.1 General aspects of IR spectroscopy
3.2 Instrumentation
3.3 Methods in interferometric IR spectroscopy
3.4 Sampling strategies
References
Chapter 4: Raman Spectroscopy
4.1 General aspects of Raman spectroscopy
4.2 Polarizability
4.3 Polarization of Raman scattering
4.4 Dependence of depolarization ratios on scattering geometry
4.5 A comparison between Raman and fluorescence spectroscopy
4.6 Instrumentation for Raman spectroscopy
References
Chapter 5: A Deeper Look at Details in Vibrational Spectroscopy
5.1 Fermi resonance
5.2 Transition dipole coupling (TDC)
5.3 Group frequencies
5.4 Rot-vibrational spectroscopy
References
Chapter 6: Special Raman Methods: Resonance, Surface-Enhanced, and Nonlinear Raman Techniques
6.1 Resonance Raman spectroscopy
6.2 Surface-enhanced Raman scattering (SERS)
6.3 Nonlinear Raman effects
6.4 Continuous wave and pulsed lasers
6.5 Epilogue
References
Chapter 7: Time-Resolved Methods in Vibrational Spectroscopy
7.1 General remarks
7.2 Time-resolved FT infrared (TR-FTIR) spectroscopy
7.3 Time-resolved Raman and resonance Raman (TRRR) spectroscopy
References
Chapter 8: Vibrational Optical Activity
8.1 Introduction to optical activity and chirality
8.2 Infrared vibrational circular dichroism (VCD)
8.3 Observation of VCD
8.4 Applications of VCD
8.5 Raman optical activity
8.6 Observation of ROA
8.7 Applications of ROA
References
Chapter 9: Computation of Vibrational Frequencies and Intensities
9.1 Historical approaches to the computation of vibrational frequencies
9.2 Vibrational energy calculations
9.3
Ab initio
quantum-mechanical normal coordinate computations
9.4 Vibrational intensity calculations
References
Part II: Biophysical and Medical Applications of Vibrational Spectroscopy and Microspectroscopy: Introduction to Part II
Chapter 10: Biophysical Applications of Vibrational Spectroscopy
10.1 Introduction
10.2 Vibrations of the peptide linkage and of peptide models
10.3 Conformational studies of peptides and polyamino acids
10.4 Protein spectroscopy: IR, VCD, Raman, resonance Raman, and ROA spectra of proteins
10.5 Nucleic acids
10.6 Conformational studies on DNA and DNA models using IR, Raman, and VCD spectroscopies
10.7 Lipids and phospholipids
10.8 Epilogue
References
Chapter 11: Vibrational Microspectroscopy (MSP)
11.1 General remarks
11.2 General aspects of microscopy
11.3 Raman microspectroscopy (RA-MSP)
11.4 CARS and FSRS microscopy
11.5 Tip-enhanced Raman spectroscopy (TERS)
11.6 Infrared microspectroscopy (IR-MSP)
11.7 Sampling strategies for infrared microspectroscopy
11.8 Infrared near-field microscopy
References
Chapter 12: Data Preprocessing and Data Processing in Microspectral Analysis
12.1 General remarks
12.2 Data preprocessing
12.3 Reduction of confounding spectral effects
12.4 Unsupervised multivariate methods of data segmentation
12.5 Supervised multivariate methods
12.6 Summary of data processing for microspectral analysis
12.7 Two-dimensional correlation methods in infrared spectroscopy (2D-IR)
References
Chapter 13: Infrared Microspectroscopy of Cells and Tissue in Medical Diagnostics
13.1 Introduction
13.2 Spectral histopathology (SHP)
13.3 Methodology for SHP
13.4 Applications of SHP for the classification of primary tumors
13.5 Application of SHP toward the detection and classification of metastatic tumors
13.6 Future prospects of SHP
13.7 Infrared spectral cytopathology (SCP)
13.8 SCP results
13.9 SCP of cultured cells
13.10 Infrared spectroscopy of cells in aqueous media
13.11 Future potential of SCP
References
Chapter 14: Raman Microspectroscopy of Cells and Tissue in Medical Diagnostics
14.1 Introduction
14.2 Experimental Consideration for Raman Microspectroscopy
14.3 High-Resolution Raman Spectral Cytopathology
14.4 Low-Resolution Raman SCP of Cultured Cells
In Vitro
14.5 Raman SCP in Solution
14.6 Raman Spectral Histopathology (Ra SHP)
14.7
In Vivo
Raman SHP
14.8 Deep Tissue Raman SHP
References
Chapter 15: Summary and Epilogue
Appendix A: The Particle in a Box: A Demonstration of Quantum Mechanical Principles for a Simple, One-Dimensional, One-Electron Model System
A.1 Definition of the Model System
A.2 Solution of the Particle-in-a-Box Differential Equation
A.3 Orthonormality of the Particle-in-a-Box Wavefunctions
A.4 Dipole-Allowed Transitions for the Particle in a Box
A.5 Real-World PiBs
Appendix B: A summary of the Solution of the Harmonic Oscillator (Hermite) Differential Equation
Appendix C: Character Tables for Chemically Important Symmetry Groups
C.1 The nonaxial groups
C.2 The
C
n
groups
C.3 The
D
n
groups
C.4 The
C
nv
groups
C.5 The
D
nh
groups
C.6 The
D
nd
groups
C.7 The
S
n
groups
C.8 The cubic groups
C.9 The groups
C
∞
, and
D
∞
h
for linear molecules
C.10 The icosahedral groups
1
Appendix D: Introduction to Fourier Series, the Fourier Transform, and the Fast Fourier Transform Algorithm
D.1 Data Domains
D.2 Fourier Series
D.3 Fourier Transform
D.4 Discrete and Fast Fourier Transform Algorithms
References
Appendix E: List of Common Vibrational Group Frequencies (cm
-1
)
Appendix F: Infrared and Raman Spectra of Selected Cellular Components
Index
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Guide
Cover
Table of Contents
Preface
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