Applications of Infrared Spectroscopy in Biochemistry, Biology, and Medicine, Softcover reprint of the original 1st ed. 1971

This book is not intended to be a basic text in infrared spectroscopy. Many such books exist and I have referred to them in the text. Rather, I have tried to find applications that would be interesting to a variety of people: advanced undergraduate chemistry students, graduate students and research workers in several disciplines, spectros­ copists, and physicians active in research or in the practice of medicine. With this aim in mind there was no intent to have exhaustive coverage of the literature. I should like to acknowledge my use of several books and reviews, which were invaluable in my search for material: G. H. Beaven, E. A. Johnson, H. A. Willis and R. G. 1. Miller, Molecular Spec­ troscopy, Heywood and Company, Ltd., London, 1961. J. A. Schell man and Charlotte Schellman, 'The Conformation of Polypeptide Chains in Proteins," in The Proteins, Vol. II, 2nd Ed. (H. Neurath, ed.), Academic Press, New York, 1964. R. T. O'Connor, "Application of Infrared Spectrophotometry to Fatty Acid Derivatives," J. Am. Oil Chemists' Soc. 33, 1 (1956). F. L. Kauffman, "Infrared Spectroscopy of Fats and Oils," J. Am. Oil Chemists' Soc. 41,4 (1964). W. J. Potts, Jr., Chemical Infrared Spectroscopy, Vol. I, Techniques, Wiley, New York, 1963. R. S. Tipson, Infrared Spectroscopy of Carbohydrates, National Bureau of Standards Monograph llO, Washington, D.C., 1968. C. N. R. Rao, Chemical Applications of Infrared Spectroscopy, Academic Press, New York, 1963.

1. Introduction and Brief Theory.- Theory (1).- Wave Number and Wavelength Units (2).- The Double-Beam Recording Spectrophotometer (2).- The Infrared Spectrum (4).- Calibration of Wave Number and Wavelength (5).- Examples of the Interpretation of Spectra (7).- Spurious bands (20).- References (24).- 2. Near-Infrared Spectroscopy.- (25).- Applications (26).- References (39).- 3. Sampling Methods.- Solids (41).- Solution Techniques (46).- Calibration of Infrared Absorption Cells (56).- Cells for Gases (57).- Micromethods (58).- Low-Temperature Work (61).- Attenuated Total Reflection (70).- The Use of Polarized Infrared Radiation and the Measurement of Dichroism (73).- References (76).- 4. Quantitative Analysis.- References (83).- 5. Hydrogen Bonding.- (84).- Intramolecular Hydrogen Bonding (86).- Intermolecular Hydrogen Bonding (91).- References (98).- 6. Carbohydrates.- Comparison of Samples (100).- Interpretation of Spectra (100).- Group Frequencies in Carbohydrates and Their Derivatives (101).- C-H Bands: Stretching and Deformation Frequencies (106).- N-H Bands: Stretching and Deformation Frequencies (107).- O-H Bands (108).- C?C and C=C Bands (110).- C?N, C=N, and C-N Bands (110).- C=O Bands (111).- C-O Bands (113).- N?N, N=N, and NO2 Bands (113).- S=O, - SO2-, and C=S Bands (113).- Correlations for the Fingerprint Region and Beyond (114).- Conformational Studies (119).- Additional Examples of Applications of Infrared Spectra to Carbohydrates (125).- Specialized Techniques (125).- References (138).- 7. Lipids.- (142).- Fatty Acids and Esters (149).- Fatty Amides (152).- Ethers, Esters, and Ether Esters of Glycerol and Various Diols (152).- Glycerides and Cholesterol Esters (152).- Lecithins, Cephalins, and Phospholipids (154).- Phosphonic Acids, Phosphonates, and Phosphonolipids (157).- Plasmalogens (158).- Prostglandins (158).- Erythrocyte Composition (159).- Tissue Analysis (160).- References (163).- 8. Amides.- N-H Stretching Modes (166).- The Amide I Band: C=O Stretching (167).- The Amide II Band (169).- Other Correlations (169).- Amines (171).- References (171).- 9. Amino Acids, Related Compounds, and Peptides.- (173).- Spectra-Structure Correlations and Other Structural Considerations (174).- Chelate Compounds (178).- Determination of Ionization Constants (181).- Amino Acid Derivatives (181).- Simple Peptides (183).- Aqueous Solutions of Dipeptides (183).- Low-Temperature Studies with Amino Acids and Simple Polypeptides (184).- References (185).- 10. Proteins and Polypeptides.- Conformational Studies of Proteins and Polypeptides (188).- Other Studies on Polypeptides (206).- Globular Proteins (216).- Other Studies on Proteins and Related Substances (221).- References (229).- 11. Hydrogen-Deuterium Exchange.- Methods (233).- Theory (238).- Factors Affecting Hydrogen-Deuterium Exchange of Biological Molecules (240).- Applications (248).- References (268).- 12. Nucleic Acids and Related Compounds.- Absorption Band Assignments (274).- Studies of DNA (278).- Studies of Deoxyribonucleoproteins (282).- Double-Helical RNA (283).- DNA-RNA Hybrid (283).- Aqueous Solutions of Nucleosides, Nucleotides, Poly-nucleotides, and DNA (284).- Pairing of Bases in Various Nucleic Acids (298).- Hydrogen Bonding (302).- Complexes of Nucleosides, Nucleotides, DNA, and Related Compounds with Metal Ions (304).- Raman Spectra Investigations (306).- The Conformation of Nucleosides in Solution (309).- Photochemistry of Nucleic Acids and Related Compounds (311).- References (312).- 13. Steroids.- Steroid Nomenclature (315).- Conformation of Steroids (320).- Polymorphism (320).- Correlations of Spectra with Structures (321).- Metabolism in Men and Animals (341).- Metabolism in Plants (345).- Metabolism in Microorganisms (346).- References (347).- 14. Porphyrins and Related Compounds.- Sample Preparation (350).- Characteristic Group Frequencies (350).- Porphyrins and Metalloporphyrins (350).- Porphyrin-Containing Proteins (354).- The Binding of Carbon Monoxide (355).- Chlorophyll and Related Compounds (357).- References (363).- 15. Enzymology.- Mechanism of Enzyme Action (364).- Stereospecificity (369).- Enzyme Inhibition (371).- Enzyme Kinetics (372).- Properties of Nitrilase and Its Substrates (383).- Characterization of Reaction Products (383).- Identification of Organisms by Their Enzymic Action (385).- References (389).- 16. Drugs, Pharmaceuticals, and Pharmacological Applications.- Spectra Collections (391).- Antibiotics (399).- Sulfonamides (403).- Alkaloids (406).- Barbiturates and Ureides (411).- Amphetamines (413).- Marijuana (413).- Caffeine and Theobromine (413).- Choleretics (414).- Cyclamate.- Dulcin, and Saccharin (415).- Isopropamine (415).- Thyroid Drug Preparations (415).- Analysis of Dicumarol in Blood Serum (416).- Addendum (416).- References (416).- 17. Microbiology.- Identification of Organisms (418).- Capsular and Cell-Wall Materials (424).- Viruses and Viral Infection (426).- DNA of Viruses and Cells (432).- Metabolic Products (432).- References (438).- 18. Applications in Medicine and Related Fields.- Diagnostic Use of Spectra of Blood Serum and Other Biologic Fluids (441).- Blood Clotting (444).- Examination of Normal and Diseased Skin (445).- Examination of Urine (447).- Analysis of Blister Serum (449).- Analysis of Lipoproteins in Serum (449).- Analysis of Calculi (Gallstones) (450).- Body Water Content (451).- Determination of Toxic Gases and Volatile Organic Compounds in Human Beings (452).- Analysis of Expired Breath (453).- Analysis of Body Fluids after Extraction with Solvents (456).- Tissue Extract Analysis (458), Analysis of Organs and Organ Content (458).- Use of Gases in Anesthesiology (459).- Other Medical Applications Using Gas Analyzers (460).- Other Examples of the Use of an Infrared Gas Analyzer (461).- Monitoring of Environments (462).- Analyses of Space-Flight and Submarine Atmospheres (465).- References (465).- 19. Special Topics of Interest in Biochemistry and Related Fields.- Water Structure (468).- Aqueous Solution Infrared Spectroscopy (472).- Metal Chelates and Complexes (485).- Membranes (487).- Mitochondria (491).- Some Early Studies on Tissues (492).- Studies on Bone and Collagen (494).- Bones, Teeth, and Minerals (497).- Vitamins, Hormones, and Coenzymes (511).- Quinones (515).- Catechol-Related Polymers (516).- Synthetic Blood Substitutes (517).- Botanical Products, Botony, and Plant Physiology (518).- Prebiology (522).- Paleobiochemistry (522).- Odor (523).- Insect Sex Attractants (526).- Insect Defense (527).- Pesticides (528).- Metabolism of Herbicides (528).- References (529).- 20. Information Sources Concerning Infrared Spectroscopy and Spectra.- A Partial Listing of General References to Infrared Spectroscopy (536).- Spectra References (Including Theory in Some Cases) (537).- Unmechanized Spectra Indexes (539).- Mechanized Use of Spectral Indexes (539).- Computer Techniques for Using the IBM Card File (540), “SIRCH,” the ASTM-Dow Infrared File Searching System (542).- FIRST-1 (542).- Eastman Infrared Spectral Data Retrieval Service (543).- Computer Programs of the National Research Council of Canada (543).- References (543).- Appendixes.- 1. Fractionation Methods Before the Use of Infrared Spectroscopy.- Miscellaneous Types of Chromatography (544).- Combined Use of Gas-Liquid Chromatography and Infrared Spectroscopy (548).- Ion-Exchange Chromatography (549).- Countercurrent Chromatography (549).- Molecular-Sieve Chromatography (Gel Filtration) (550).- Electrophoretic Techniques (552).- Differential Dialysis (553).- Density-Gradient Separations in the Ultra-centrifuge (553).- Countercurrent Distribution (554).- Use of the Solubility Diagram for Determining the Presence of Impurities in Soluble Materials (544).- References (554).- Additional References (558).- 2. Conversion Table—Wave Numbers and Wavelength.- General, Index.- Chemical Compound Index.