Modern Vibrational Spectroscopy and Micro-Spectroscopy E-Book

Max Diem

• Herausgeber: John Wiley & Sons
• Kategorie: Wissenschaft und neue Technologien
• Sprache: Englisch

Seitenzahl: 903

Veröffentlichungsjahr: 2015

Beschreibung

Modern Vibrational Spectroscopy and Micro-Spectroscopy: Theory, Instrumentation and Biomedical Applications unites the theory and background of conventional vibrational spectroscopy with the principles of microspectroscopy. It starts with basic theory as it applies to small molecules and then expands it to include the large biomolecules which are the main topic of the book with an emphasis on practical experiments, results analysis and medical and diagnostic applications.  This book is unique in that it addresses both the parent spectroscopy and the microspectroscopic aspects in one volume.

Part I covers the basic theory, principles and instrumentation of classical vibrational, infrared and Raman spectroscopy. It is aimed at researchers with a background in chemistry and physics, and is presented at the level suitable for first year graduate students. The latter half of Part I is devoted to more novel subjects in vibrational spectroscopy, such as resonance and non-linear Raman effects, vibrational optical activity, time resolved spectroscopy and computational methods. Thus, Part 1 represents a short course into modern vibrational spectroscopy.

Part II is devoted in its entirety to applications of vibrational spectroscopic techniques to biophysical and bio-structural research, and the more recent extension of vibrational spectroscopy to microscopic data acquisition. Vibrational microscopy (or microspectroscopy) has opened entirely new avenues toward applications in the biomedical sciences, and has created new research fields collectively referred to as Spectral Cytopathology (SCP) and Spectral Histopathology (SHP). In order to fully exploit the information contained in the micro-spectral datasets, methods of multivariate analysis need to be employed. These methods, along with representative results of both SCP and SHP are presented and discussed in detail in Part II.

Leseprobe

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

Begin Reading

List of Illustrations

Chapter 1: Molecular Vibrational Motion

Figure 1.1 “Mass-and-spring” model of Cartesian displacement vectors for a triatomic molecule. The gray cylinders represent springs obeying Hook's law

Figure 1.2 Display of the atomic displacement vectors and the symmetries (see Chapter 2) for the three normal modes of the water molecule. The magnitude of the displacement vectors is not known, but the relative displacements are drawn approximately to scale. The terms A1, and B1 refer to the symmetry species of the coordinates (see Chapter 2).

Figure 1.3 Graph of the potential energy function for a diatomic molecule. Parameters are specified in Eq. 1.58