An updated, practical guide to bioinorganic chemistry Bioinorganic Chemistry: A Short Course, Second Edition provides the fundamentals of inorganic chemistry and biochemistry relevant to understanding bioinorganic topics. Rather than striving to provide a broad overview of the whole, rapidly expanding field, this resource provides essential background material, followed by detailed information on selected topics. The goal is to give readers the background, tools, and skills to research and study bioinorganic topics of special interest to them. This extensively updated premier reference and text: * Presents review chapters on the essentials of inorganic chemistry and biochemistry * Includes up-to-date information on instrumental and analytical techniques and computer-aided modeling and visualization programs * Familiarizes readers with the primary literature sources and online resources * Includes detailed coverage of Group 1 and 2 metal ions, concentrating on biological molecules that feature sodium, potassium, magnesium, and calcium ions * Describes proteins and enzymes with iron-containing porphyrin ligand systems-myoglobin, hemoglobin, and the ubiquitous cytochrome metalloenzymes-and the non-heme, iron-containing proteins aconitase and methane monooxygenase Appropriate for one-semester bioinorganic chemistry courses for chemistry, biochemistry, and biology majors, this text is ideal for upper-level undergraduate and beginning graduate students. It is also a valuable reference for practitioners and researchers who need a general introduction to bioinorganic chemistry, as well as chemists who want an accessible desk reference.

Rosette M. Roat-Malone, PhD, is Adjunct Professor of Chemistry at Washington College in Chestertown, Maryland. She developed the advanced bioinorganic chemistry course that formed the basis for this book's predecessor, Bioinorganic Chemistry: A Short Course. Her research in the reactions of platinum coordination compounds used as anticancer agents with biological molecules has been supported by the National Science Foundation, the Petroleum Research Fund, and the Research Corporation.

Preface	p. xiii
Acknowledgments	p. xix
Inorganic Chemistry Essentials	p. 1
Introduction	p. 1
Essential Chemical Elements	p. 1
Metals in Biological Systems: A Survey	p. 3
Inorganic Chemistry Basics	p. 6
Biological Metal Ion Complexation	p. 8
Thermodynamics	p. 8
Kinetics	p. 9
Electronic and Geometric Structures of Metals in Biological Systems	p. 13
Bioorganometallic Chemistry	p. 19
Electron Transfer	p. 22
Conclusions	p. 26
References	p. 27
Biochemistry Fundamentals	p. 29
Introduction	p. 29
Proteins	p. 30
Amino Acid Building Blocks	p. 30
Protein Structure	p. 33
Protein Sequencing and Proteomics	p. 39
Protein Function, Enzymes, and Enzyme Kinetics	p. 43
Nucleic Acids	p. 47
DNA and RNA Building Blocks	p. 47
DNA and RNA Molecular Structures	p. 47
Transmission of Genetic Information	p. 53
Genetic Mutations and Site-Directed Mutagenesis	p. 56
Genes and Cloning	p. 58
Genomics and the Human Genome	p. 61
Zinc-Finger Proteins	p. 63
Descriptive Examples	p. 67
Summary and Conclusions	p. 73
References	p. 74
Instrumental Methods	p. 76
Introduction	p. 76
Analytical Instrument-Based Methods	p. 76
Spectroscopy	p. 77
X-Ray Absorption Spectroscopy (XAS) and Extended X-Ray Absorption Fine Structure (EXAFS)	p. 78
Theoretical Aspects and Hardware	p. 78
Descriptive Examples	p. 81
X-Ray Crystallography	p. 83
Introduction	p. 83
Crystallization and Crystal Habits	p. 84
Theory and Hardware	p. 88
Descriptive Examples	p. 95
Nuclear Magnetic Resonance	p. 98
Theoretical Aspects	p. 98
Nuclear Screening and the Chemical Shift	p. 101
Spin-Spin Coupling	p. 104
Techniques of Spectral Integration and Spin-Spin Decoupling	p. 106
Nuclear Magnetic Relaxation	p. 107
The Nuclear Overhauser Effect (NOE)	p. 108
Obtaining the NMR Spectrum	p. 110
Two-Dimensional (2D) NMR Spectroscopy	p. 111
Two-Dimensional Correlation Spectroscopy (COSY) and Total Correlation Spectroscopy (TOCSY)	p. 112
Nuclear Overhauser Effect Spectroscopy (NOESY)	p. 115
Multidimensional NMR	p. 116
Descriptive Examples	p. 117
Electron Paramagnetic Resonance	p. 122
Theory and Determination of g-Values	p. 122
Hyperfine and Superhyperfine Interactions	p. 127
Electron Nuclear Double Resonance (ENDOR) and Electron Spin-Echo Envelope Modulation (ESEEM)	p. 129
Descriptive Examples	p. 129
Mossbauer Spectroscopy	p. 132
Theoretical Aspects	p. 132
Quadrupole Splitting and the Isomer Shift	p. 134
Magnetic Hyperfine Interactions	p. 136
Descriptive Examples	p. 137
Other Instrumental Methods	p. 139
Atomic Force Microscopy	p. 139
Fast and Time-Resolved Methods	p. 143
Stopped-Flow Kinetic Methods	p. 143
Flash Photolysis	p. 144
Time-Resolved Crystallography	p. 146
Mass Spectrometry	p. 148
Summary and Conclusions	p. 153
References	p. 154
Computer Hardware, Software, and Computational Chemistry Methods	p. 157
Introduction to Computer-Based Methods	p. 157
Computer Hardware	p. 157
Molecular Modeling and Molecular Mechanics	p. 160
Introduction to MM	p. 160
Molecular Modeling, Molecular Mechanics, and Molecular Dynamics	p. 161
Biomolecule Modeling	p. 166
A Molecular Modeling Descriptive Example	p. 167
Quantum Mechanics-Based Computational Methods	p. 170
Introduction	p. 170
Ab Initio Methods	p. 170
Density Function Theory	p. 171
Semiempirical Methods	p. 173
Computer Software for Chemistry	p. 174
Mathematical Software	p. 180
World Wide Web Online Resources	p. 181
Nomenclature and Visualization Resources	p. 181
Online Societies, Online Literature Searching, and Materials and Equipment Websites	p. 183
Summary and Conclusions	p. 185
References	p. 185
Group I and II Metals in Biological Systems: Homeostasis and Group I Biomolecules	p. 189
Introduction	p. 189
Homeostasis of Metals (and Some Nonmetals)	p. 192
Phosphorus as Phosphate	p. 192
Potassium, Sodium, and Chloride Ions	p. 193
Calcium Homeostasis	p. 194
Movement of Molecules and Ions Across Membranes	p. 195
Passive Diffusion	p. 195
Facilitated Diffusion	p. 197
Gated Channels	p. 197
Active Transport-Ion Pumps	p. 197
Potassium-Dependent Molecules	p. 199
Na[superscript +]/K[superscript +] ATPase: The Sodium Pump	p. 199
Potassium (K[superscript +]) Ion Channels	p. 203
Introduction	p. 203
X-Ray Crystallographic Studies	p. 205
Conclusions	p. 235
References	p. 235
Group I and II Metals in Biological Systems: Group II	p. 238
Introduction	p. 238
Magnesium and Catalytic RNA	p. 238
Introduction	p. 238
Analyzing the Role of the Metal Ion	p. 241
The Group I Intron Ribozyme	p. 244
The Hammerhead Ribozyme	p. 261
Calcium-Dependent Molecules	p. 301
Introduction	p. 301
Calmodulin	p. 302
Introduction	p. 302
Calmodulin Structure by X-Ray and NMR	p. 303
Calmodulin Interactions with Drug Molecules	p. 308
Calmodulin-Peptide Binding	p. 313
Conclusions	p. 326
Phosphoryl Transfer: P-Type ATPases	p. 327
Introduction	p. 327
Calcium P-Type ATPases	p. 327
Ca[superscript 2+]-ATPase Protein SERCA1a and the Ca[superscript 2+]-ATPase Cycle	p. 329
Conclusions	p. 337
References	p. 338
Iron-Containing Proteins and Enzymes	p. 343
Introduction: Iron-Containing Proteins with Porphyrin Ligand Systems	p. 343
Myoglobin and Hemoglobin	p. 343
Myoglobin and Hemoglobin Basics	p. 345
Structure of the Heme Prosthetic Group	p. 347
Behavior of Dioxygen Bound to Metals	p. 348
Structure of the Active Site in Myoglobin and Hemoglobin: Comparison to Model Compounds	p. 349
Some Notes on Model Compounds	p. 352
Iron-Containing Model Compounds	p. 353
Binding of CO to Myoglobin, Hemoglobin, and Model Compounds	p. 356
Conclusions	p. 359
Introduction to Cytochromes	p. 359
Cytochrome P450: A Monooxygenase	p. 361
Introduction	p. 361
Cytochrome P450: Structure and Function	p. 363
Cytochrome P450: Mechanism of Activity	p. 365
Analytical Methods: X-Ray Crystallography	p. 369
Cytochrome P450 Model Compounds	p. 372
Introduction	p. 372
A Cytochrome P450 Model Compound: Structural	p. 372
Cytochrome P450 Model Compounds: Functional	p. 374
Cytochrome P450 Conclusions	p. 382
Cytochrome b(6)f: A Green Plant Cytochrome	p. 382
Introduction	p. 382
Cytochrome b(6)f Metal Cofactor Specifics	p. 386
Cytochrome bc[subscript 1]: A Bacterial Cytochrome	p. 388
Introduction	p. 388
Cytochrome bc[subscript 1] Structure	p. 389
Cytochrome bc[subscript 1] Metal Cofactor Specifics	p. 391
The Cytochrome bc[subscript 1] Q Cycle	p. 395
Cytochrome bc[subscript 1] Inhibitors	p. 397
Cytochrome bc[subscript 1] Conclusions	p. 408
Cytochromes c	p. 408
Introduction	p. 408
Mitochondrial Cytochrome c (Yeast)	p. 411
Mitochondrial Cytochrome c (Horse)	p. 416
Cytochrome c Folding, Electron Transfer, and Cell Apoptosis	p. 422
Cytochrome c Folding	p. 422
Electron Transfer in Cytochrome c and Its Redox Partners	p. 424
Apoptosis	p. 427
Cytochrome c Conclusions	p. 429
Cytochrome c Oxidase	p. 429
Introduction	p. 429
Metal-Binding Sites in Cytochrome c Oxidase	p. 432
Dioxygen Binding, Proton Translocation, and Electron Transport	p. 434
Cytochrome c Oxidase Model Compounds and Associated Analytical Techniques	p. 440
Cytochrome c Oxidase Conclusions	p. 453
Non-Heme Iron-Containing Proteins	p. 454
Introduction	p. 454
Proteins with Iron-Sulfur Clusters	p. 454
The Enzyme Aconitase	p. 455
Iron-Oxo Proteins	p. 458
Methane Monooxygenases	p. 459
Conclusions	p. 465
References	p. 466
Index	p. 477
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