Vibrational Spectroscopy: From Theory to Applications

Spis treści książki

• Cover
• Title page
• Editorial page
• Content
• 1. Fundamentals of infrared spectroscopy (FT-IR) (Kamilla Malek, Emilia Staniszewska-Ślęzak, Kamila Kochan, Katarzyna Majzner)
  • 1.1. Quantum description models of the harmonic and anharmonic oscillators
  • 1.2. Normal coordinates
  • 1.3. Construction of a FT-IR spectrometer
    • 1.3.1. Light source
    • 1.3.2. Interferometer
    • 1.3.3. Sample chamber
    • 1.3.4. Detector
• 2. Fundamentals of Raman scattering spectroscopy (Kamilla Malek, Małgorzata Barańska, Kamila Kochan)
  • 2.1. Quantum description of Raman scattering
  • 2.2. Instrumentation in Raman spectroscopy
    • 2.2.1. Laser
    • 2.2.2. Sample compartment
    • 2.2.3. Optical element splitting the beam of electromagnetic radiation
    • 2.2.4. Detector
• 3. Special FT-IR techniques
  • 3.1. Sampling techniques in FT-IR spectroscopy  (Paweł Miśkowiec)
    • 3.1.1. Transmission technique
    • 3.1.2. Reflexive techniques
      • 3.1.2.1. Attenuated total reflection, ATR
      • 3.1.2.2. Diffuse reflection in the mid-infrared range, DRIFT
      • 3.1.2.3. Reflection absorption infrared spectroscopy, IRRAS
    • 3.1.3. Photoacoustic spectroscopy, PAS
    • 3.1.4. Infrared emission spectroscopy, ES (IRES)
  • 3.2. FT-IR microscopy and imaging (Ewelina Wiercigroch, Kamilla Malek )
  • 3.3. Vibrational circular dichroism (Piotr F. J. Lipiński)
    • 3.3.1. Chirality
    • 3.3.2. What is Vibrational Circular Dichroism?
    • 3.3.3. How is VCD measured?
    • 3.3.4. Applications of VCD spectroscopy
    • 3.3.5. Calculations of VCD spectra and their problems
    • 3.3.5. Very short summary of current developments
• 4. Special Raman techniques
  • 4.1. Resonance Raman scattering spectroscopy (Katarzyna M. Marzec, Jakub Dybaś)
    • 4.1.1. Resonance versus normal Raman scattering and fluorescence
    • 4.1.2. Phenomenon of Resonance Raman scattering
    • 4.1.3. Application and potential of RRS
    • 4.1.4. Instrumentation
  • 4.2. Surface-enhanced Raman scattering spectroscopy (SERS) (Agata Królikowska, Jolanta Bukowska)
    • 4.2.1. Mechanism of surface enhancement
    • 4.2.2. Types of the substrates used in SERS spectroscopy
    • 4.2.3. SERS spectral features
    • 4.2.4. Applications of SERS spectroscopy
  • 4.3. Raman Optical Activity (ROA) (Joanna E. Rode)
    • 4.3.1. Schematic diagram of ROA phenomenon
    • 4.3.2. Theoretical description of ROA phenomenon
    • 4.3.3. Instrumentation
    • 4.3.4. Applications of ROA
    • 4.3.5. Summary
  • 4.4. Raman imaging (Agnieszka Kaczor)
• 5. Chemometric analysis of FT-IR and Raman spectra (Katarzyna Majzner, Kamila Kochan, Małgorzata Barańska)
  • 5.1. Analysis of marker bands
  • 5.2. Cluster analysis (CA)
    • 5.2.1. Hierarchical cluster analysis (HCA)
    • 5.2.2. Non-hierarchical cluster analysis
    • 5.2.3. Comparison of HCA, KMCA and FCA methods
• 6. Selected applications of FT-IR spectroscopy
  • 6.1. An effect of molecular symmetry and isotopic substitution on IR and Raman spectra of chloromethane derivatives (Kamilla Malek, Katarzyna M. Marzec)
  • 6.2. Peak-fitting process by an example of ATR FT-IRspectra of soft tissues (Marlena Gąsior-Głogowska, Adam Oleszko)
    • 6.2.1. Skin
    • 6.2.2. Skins proteins
    • 6.2.3. Infrared spectroscopy of tissues
  • 6.3. Synthesis and spectral characteristics of hydroxyapatites (Marlena Gąsior-Głogowska, Adam Oleszko)
    • 6.3.1. Hydroxyapatites
    • 6.3.2. Infrared spectroscopy of hydroxyapatite
  • 6.4. The application of infrared spectroscopy for the determination of petroleum hydrocarbons in surface water and wastewater (Paweł Miśkowiec)
    • 6.4.1. The composition of crude oil; environment pollution with petroleum products
    • 6.4.2. The toxic properties of the components of crude oil
    • 6.4.3. Legislation concerning problems of environmental pollution with petroleum products and methods of its measurement
    • 6.4.4. An application of IR spectroscopy in analytical chemistry
    • 6.4.5. Nernst distribution law
  • 6.5. Determination of absolute configuration using vibrational circular dichroism (Piotr F. J. Lipiński)
    • 6.5.1. Determination of absolute configuration via VCD
  • 6.6. The identification of painting materials and degradation products. FT-IR imaging of paint layers (Emilia Staniszewska-Ślęzak, Kamilla Malek)
    • 6.6.1. Chemical characteristics of a paint layer and products of its degradation
    • 6.6.2. FT-IR spectroscopy as a technique used in the identification of chemical composition of artworks
  • 6.7. Structural analysis of proteins by means of ft-ir spectroscopy (Katarzyna Majzner)
    • 6.7.1. Anatomy of proteins
    • 6.7.2. Application of FT-IR spectroscopy to studying proteins
  • 6.8. Structural analysis of lipids by using infrared spectroscopy (Tomasz P. Wróbel)
    • 6.8.1. Characteristics and occurrence of lipids
    • 6.8.2. Application of FT-IR spectroscopy to studying lipids
  • 6.9. Structural analysis of carbohydrates by means of FT-IRspectroscopy (Kamilla Malek, Ewelina Wiercigroch)
    • 6.9.1. Molecular structure of carbohydrates
    • 6.9.2. Characteristic IR bands of carbohydrates
  • 6.10. An analysis of ATR FT-IRspectra of animal tissues (Emilia Staniszewska-Ślęzak, Kamilla Malek)
    • 6.10.1. Biochemical features of selected animal tissues
    • 6.10.2. FT-IR spectra of animal tissues
  • 6.11. Diagnostics of disease development by FT-IR imaging of tissue (Kamila Kochan, Małgorzata Barańska)
• 7. Selected applications of Raman spectroscopy
  • 7.1. The identification of proteins secondary structure in Raman spectra (Anna Rygula)
    • 7.1.1. Characteristics of protein in Raman spectrum
    • 7.1.2. Marker bands of amino acid residues
    • 7.1.3. Other techniques of Raman spectroscopy for the analysis of proteins
  • 7.2. Raman analysis of fatty acids (Aleksandra Jaworska, Małgorzata Barańska)
    • 7.2.1. Occurrence and characteristics of fatty acids
    • 7.2.2. An application of Raman spectroscopy in an analysis of fatty acids
  • 7.3. Raman spectroscopy as a method to analyze lipids in animal tissues and mixtures (Krzysztof Czamara, Agnieszka Kaczor)
    • 7.3.1. Classification of lipids
    • 7.3.2. Spectroscopic characteristics of lipids
  • 7.4. Polymorphism of model triacylgliceroles (Marta Z. Pacia, Krzysztof Czamara, Agnieszka Kaczor)
    • 7.4.1. Polymorphism of lipids
    • 7.4.2. Spectroscopic characteristics of TAGs polymorphs
  • 7.5. Identification of carotenoids in plants by means of Raman spectroscopy (Aleksandra Jaworska, Małgorzata Barańska)
    • 7.5.1. Structure, functions and occurrence of carotenoids
    • 7.5.2. Raman bands of carotenoids
  • 7.6. Identification of terpenes in citrus oils by means of Raman spectroscopy (Aleksandra Jaworska, Małgorzata Barańska, Kamilla Malek)
    • 7.6.1. Essential oils occurrence and composition
    • 7.6.2. Identification of essential oils by means of gas chromatography and Raman spectroscopy
    • 7.6.3. Chemometric analysis of Raman spectra of essential oils
  • 7.7. An analysis of pigments and painting materials in Raman spectra (Anna Rygula, Kamilla Malek)
    • 7.7.1. Raman spectroscopy as an analytic technique in conservation of art works
    • 7.7.2. Structure of painting layers
    • 7.7.3. Methodology of a Raman analysis of works of arts
  • 7.8. Detection and determination of glucose in pharmaceuticals and body fluids (Agnieszka Kaczor)
  • 7.9. Resonance Raman scattering spectroscopy in hemoglobin structure studies (Jakub Dybaś, Antonina Chmura-Skirlińska, Katarzyna M. Marzec)
    • 7.9.1. Structure and physiology of hemoglobin
    • 7.9.2. Resonance Raman scattering spectroscopy in hemoglobin studies
    • 7.9.3. UV-Vis Absorption Spectrophotometry in hemoglobin studies
  • 7.10. Identification of enantiomers of bornyl acetate and -pinene in essential oils from the Siberian fir needles (Katarzyna Chruszcz-Lipska)
    • 7.10.1. Terpenes
    • 7.10.2. Stereochemistry of terpenes
    • 7.10.3. Enantiomeric contents of terpenes in essential oils
    • 7.10.4. Raman optical activity spectra of terpenes
  • 7.11. Determination of absolute configuration of -pinene enantiomers by means of Raman optical activity and quantum chemical calculations (Grzegorz Zając, Małgorzata Barańska)
    • 7.11.1. Theoretical calculations of ROA
  • 7.12. Estimation of surface enhancement factor and adsorption studies of 3-amino-5-mercapto-1,2,4-triazole (AMT) on silver using surface-enhanced Raman scattering spectroscopy (SERS) (Agata Królikowska, Jolanta Bukowska)
    • 7.12.1. Surface enhancement factor in SERS
      • 7.12.1.1. Types of definition of enhancement factor
      • 7.12.1.2. Enhancement factor for a given substrate (EF)
      • 7.12.1.3. Analytical enhancement factor (AEF)
      • 7.12.1.4. Single molecule enhancement factor (SMEF)
    • 7.12.2. The most common sources of errors in the determined values of SERS enhancement factors
    • 7.12.3. Structure and properties of 3-amino-5-mercapto-1,2,4-triazole (AMT)
    • 7.12.4. SERS spectrum of 3-amino-5-mercapto-1,2,4-triazole (AMT) on silver substrate
  • 7.13. Identification and studying of distribution of caffeine in drug samples in situ (Małgorzata Barańska, Agnieszka Kaczor, Kamilla Malek)
  • 7.14. Characteristics of the cell organelles based on analysis of marker bands and cluster analysis (Katarzyna Majzner)
    • 7.14.1. The assignment of the major Raman bands in the cell spectra
    • 7.14.2. An analysis of cell Raman imaging results
  • 7.15. In vitro and in vivo Raman imaging of unicellular carotenoid producers (Marta Z. Pacia, Agnieszka Kaczor)
    • 7.15.1. Spectral characteristics of cells compartments
• Footnotes

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