Note: Cover -- Title -- Copyright -- List of Contributors -- Series Preface -- Volume Preface -- 1 Biologically Templated Nanostructure Assemblies -- 1 INTRODUCTION -- 2 CHEMICAL PROCEDURES FOR BIOTEMPLATED NANOSTRUCTURES -- 3 BIOTEMPLATING -- 3.1 Protein- and Peptide-Based Systems -- 3.2 Microorganism Templates -- 3.3 DNA-Based Systems -- 4 CONCLUSIONS AND SUMMARY -- 5 RELATED ARTICLES -- 6 ABBREVIATIONS AND ACRONYMS -- 7 REFERENCES -- 2 Biomedical Applications of Magnetic Nanoparticles -- 1 INTRODUCTION -- 2 MAGNETIC NANOPARTICLES AND AQUEOUS MAGNETIC FLUIDS -- 2.1 Magnetism of Magnetic Nanoparticles -- 2.2 Synthesis of Magnetic Nanoparticles -- 2.3 Aqueous Magnetic Fluids -- 3 IN VITRO DIAGNOSTIC APPLICATIONS -- 3.1 Bioconjugation -- 3.2 Magnetic Sorting of Biomolecules or Cells -- 3.3 Magnetorelaxometry -- 4 IN VIVO APPLICATIONS -- 4.1 Biocompatibility, Biodistribution, and Targeting Strategies -- 4.2 Magnetic Resonance Imaging -- 4.3 Magnetic Fluid Hyperthermia -- 4.4 Drug Delivery -- 5 OUTLOOK AND FUTURE CHALLENGES -- 6 ACKNOWLEDGMENTS -- 7 ABBREVIATIONS AND ACRONYMS -- 8 REFERENCES -- 3 Biomimetic Chemistry of Hybrid Materials -- 1 INTRODUCTION -- 2 SWITCHING OF MORPHOLOGY -- 3 GATED NANOCHEMISTRY -- 4 BIOMIMETIC BINDING POCKETS -- 5 BIOMIMETIC MOTORS -- 6 CONCLUSIONS -- 7 ACKNOWLEDGMENTS -- 8 END NOTES -- 9 RELATED ARTICLES -- 10 ABBREVIATIONS AND ACRONYMS -- 11 REFERENCES -- 4 Biomineralization: Peptide-Mediated Synthesis of Materials -- 1 INTRODUCTION -- 2 UNCONSTRAINED PEPTIDE TEMPLATES -- 2.1 Metal-Oxide Synthesis -- 2.2 Biomineralization of Calcium Carbonate -- 2.3 Metal Nanocluster Synthesis -- 2.4 Computational Studies -- 3 MATERIALS-IMMOBILIZED PEPTIDE TEMPLATES -- 3.1 Nanoparticle-Bound Peptides -- 3.2 Nanotube-Bound Peptide Templates -- 3.3 Metal Surface and Thin-Film-Bound Peptides -- 4 BIOLOGICAL PEPTIDE SCAFFOLDS. , 4.1 Virus-Based Scaffolds -- 4.2 Cell-Surface Display -- 4.3 Protein Cage Scaffolds -- 5 FUTURE DIRECTIONS -- 6 ABBREVIATIONS AND ACRONYMS -- 7 REFERENCES -- 5 Biomineralization: Self-Assembly Processes -- 1 INTRODUCTION -- 2 CRYSTALLIZATION PATHWAYS VIA SELF-ASSEMBLY PROCESSES -- 2.1 Overview of Nonclassical Crystallization -- 2.2 Oriented Attachment -- 2.3 Mesocrystals -- 2.4 Amorphous Precursors and Their Assembly -- 2.5 Liquid Precursors -- 3 BIOMINERALIZATION IN NATURE -- 4 BIOMINERALIZATION VIA ORGANIC MOLECULE DIRECTING SELF-ASSEMBLY -- 4.1 Overview -- 4.2 Biopolymers -- 4.3 Low Molecular Weight Organic Molecules -- 4.4 Hydrophilic Low Molecular Weight Polyelectrolyte -- 4.5 Soluble Blocked Hydrophilic Copolymers -- 4.6 Synthetic Polymer Aggregates and Colloids -- 4.7 Synergistic Effect of Hydrophilic Polymer with a Typical Surfactant -- 4.8 Hydrophilic Copolymer in Solvents -- 4.9 Biogels and Synthetic Gels -- 5 CONCLUSION AND PERSPECTIVES -- 6 ACKNOWLEDGMENTS -- 7 ABBREVIATIONS AND ACRONYMS -- 8 REFERENCES -- 6 Carbon Nanotubes, Multi-Walled -- 1 CARBON NANOTUBE SYNTHESIS -- 1.1 Introduction -- 1.2 Experimental Procedures -- 1.3 MWNT Growth Mechanism and Catalytic Pyrolysis Chemistry -- 2 CHEMICAL REACTIVITY OF MWNTs -- 2.1 Reactions with Electrophiles -- 2.2 Addition of Radicals -- 2.3 Cycloadditions -- 2.4 Oxidation -- 2.5 Reduction -- 3 CARBON NANOTUBE POLYMER COMPOSITES -- 3.1 Introduction -- 3.2 Processing -- 3.3 Mechanical Properties -- 3.4 Interfacial Effects -- 3.5 Transport Properties -- 4 CONCLUSIONS -- 5 RELATED ARTICLES -- 6 ABBREVIATIONS AND ACRONYMS -- 7 REFERENCES -- 7 Carbon Nanotubes, Single-Walled: Functionalization by Intercalation -- 1 INTRODUCTION -- 2 THE SINGLE-WALLED CARBON NANOTUBES HOST SYSTEM -- 3 INTERCALATION INTO SINGLE-WALLED CARBON NANOTUBE BUNDLES -- 3.1 Structural Analysis from Electron and X-ray Diffraction. , 3.2 Optical Absorption and Electron Energy Loss Spectroscopy -- 3.3 Raman Scattering -- 3.4 Photoemission Spectroscopy of SWCNT for Alkali Metal Intercalation -- 4 INTERCALATION INTO THE TUBES -- 4.1 Filling Processes -- 4.2 C60 Peapods -- 4.3 C59N Peapods -- 4.4 Potassium Intercalation Into C60 Peapods -- 4.5 Filling Single-Walled Carbon Nanotubes with Ferrocene -- 4.6 Double-Walled Carbon Nanotubes -- 5 NANOCHEMISTRY USING SINGLE-WALLED CARBON NANOTUBES AS A REACTION FURNACE -- 5.1 Transforming C60 Peapods into DWCNT -- 5.2 Catalytic Reactions Inside Single-Walled Carbon Nanotubes Leading to Growth of Inner Shell Tubes -- 5.3 Evolution of the Charge Transfer Between Filler Materials and SWCNT Host -- 6 ACKNOWLEDGMENTS -- 7 ABBREVIATIONS AND ACRONYMS -- 8 REFERENCES -- 8 Carbon Nanotubes: Fluorinated Derivatives -- 1 INTRODUCTION -- 2 FLUORINATION OF CARBON NANOTUBES -- 2.1 Single-Walled Carbon Nanotubes -- 2.2 Double-Walled Carbon Nanotubes -- 2.3 Multiwalled Carbon Nanotubes -- 3 STRUCTURE OF FLUORONANOTUBES -- 4 SOLVATION PROPERTIES OF FLUORONANOTUBES -- 5 CHEMICAL PROPERTIES OF FLUORONANOTUBES -- 5.1 Reactions with Alkoxide Reagents -- 5.2 Reactions with Diamines -- 5.3 Reactions with Amino Acids -- 5.4 Reactions with Amino Alcohols and Thio Derivatives -- 5.5 Reactions with Amides and Heteroamides -- 5.6 Reactions with Aminosilanes -- 5.7 Reactions with Free Radical Initiators -- 5.8 Diels-Alder reactions -- 5.9 Defluorination, Pyrolysis, and Cutting of Fluoronanotubes -- 5.10 Reactions with the C-H Bonds of Polyalkene Chains -- 6 SUMMARY -- 7 ACKNOWLEDGMENTS -- 8 ABBREVIATIONS AND ACRONYMS -- 9 REFERENCES -- 9 Carbon Nanotubes and Nanocomposites for Electrical and Thermal Applications -- 1 INTRODUCTION -- 2 POLYMERIC/CARBON NANOTUBES COMPOSITES -- 2.1 Functionalization of Carbon Nanotubes. , 2.2 Matrix Polymers as Functionalization Agents for Enhanced Compatibility -- 2.3 Benefits and Issues -- 3 ELECTRICAL PROPERTIES AND APPLICATIONS -- 3.1 Electrical Conductive Polymeric/Carbon Nanotube Composites -- 3.2 Separated Metallic SWNTs for Enhanced Performance -- 4 THERMAL CONDUCTIVE NANOCOMPOSITES -- 5 SUMMARY -- 6 ACKNOWLEDGMENTS -- 7 ABBREVIATIONS AND ACRONYMS -- 8 REFERENCES -- 10 Endohedral Fullerenes -- 1 INTRODUCTION -- 2 THE ENDOHEDRAL FULLERENES-A GENERAL VIEW -- 3 NOVEL ENDOHEDRAL FULLERENES -- 3.1 Endohedral Cluster Fullerenes -- 3.2 Non-IPR Endohedral Fullerenes -- 3.3 Extending the Cage Size -- 4 ENDOHEDRAL FULLERENES-NEW STRUCTURES AND PERSPECTIVES -- 4.1 The Structures of the Cages of Endohedral Fullerenes Ranging from C66 to C100 -- 4.2 The Structures of the Encaged Species -- 5 PROPERTIES OF ENDOHEDRAL FULLERENES -- 5.1 Electronic Properties of Nitride Cluster Fullerenes -- 5.2 Chemical Properties of Nitride Cluster Fullerenes -- 5.3 Electrochemistry: The Redox Properties of the Endohedral Fullerenes -- 5.4 Magnetic and Other Physical Properties -- 6 APPLICATIONS OF ENDOHEDRAL FULLERENES -- 6.1 Biomedical Applications as MRI Contrast Agents and Radiotracers -- 6.2 Biological/Physiological Applications -- 6.3 Peapods -- 6.4 Photoelectric Conversion Applications -- 6.5 Other Potential Applications -- 7 SUMMARY -- 8 ACKNOWLEDGMENTS -- 9 RELATED ARTICLES -- 10 ABBREVIATIONS AND ACRONYMS -- 11 REFERENCES -- 11 Fullerenes: Metal Complexes -- 1 INTRODUCTION -- 2 MONONUCLEAR METAL COORDINATION TO FULLERENES -- 3 COORDINATION OF METAL CLUSTERS TO FULLERENES -- 4 REDOX-ACTIVE FILMS PREPARED BY REDUCTION OF SOLUTIONS OF FULLERENES AND TRANSITION METAL COMPLEXES -- HETEROFULLERENES-METAL ATOMS AS PART OF THE FULLERENE CAGE -- 6 COCRYSTALLIZATION OF FULLERENES WITH METAL COMPLEXES -- 7 CONCLUSION -- 8 RELATED ARTICLES. , 9 ABBREVIATIONS AND ACRONYMS -- 10 REFERENCES -- 12 Fullerenes: Nanoscale-Ordered Materials -- 1 INTRODUCTION -- 1.2 Solution -- 1.3 Liquid Crystals -- 1.4 Polymers -- 1.5 Interfaces -- 1.6 Surfaces -- 2 CONCLUDING REMARKS -- 3 ACKNOWLEDGMENTS -- 4 ABBREVIATIONS AND ACRONYMS -- 5 REFERENCES -- 13 Gold Nanoparticles as Chemical Catalysts -- 1 INTRODUCTION -- 2 GENERAL CONSIDERATIONS -- 3 LOADING GOLD NANOPARTICLES ON SiO2 SUPPORTS -- 3.1 Background: Conventional Synthesis of Supported Gold Catalysts -- 3.2 Modification of SiO2 by Organic Functional Groups before Loading Gold -- 3.3 Cosynthesis of Au/SiO2 Involving Both Au3+ and an SiO2 Source -- 3.4 Dispersing Gold Colloids on SiO2 and Other Supports -- 3.5 Synthesizing SiO2 in the Presence of Gold Colloids -- 3.6 Liquid-Phase Grafting and Chemical Vapor Deposition of Gold Precursors -- 3.7 Using Au(en)2Cl3 as the Precursor -- 4 PREMODIFICATION OF SUPPORTS BY METAL OXIDES -- 4.1 Modification of SiO2 Supports -- 4.2 Modification of Al2O3 and TiO2 Supports -- 4.3 Synthesis of Mixed Oxides for Loading Gold -- 4.4 Modification of Carbon Supports -- 5 POSTMODIFICATION OF SUPPORTED GOLD CATALYSTS -- 6 GOLD ON NANOSTRUCTURED AND NANOSIZED SUPPORTS -- 6.1 Gold Nanoparticles on Nanoparticle Supports -- 6.2 Gold Nanoparticles on Other Support Morphologies -- 7 SYNTHESIS OF SUPPORTED GOLD CATALYSTS USING OTHER METHODS -- 8 CONCLUDING REMARKS -- 9 ACKNOWLEDGMENTS -- 10 ABBREVIATIONS AND ACRONYMS -- 11 REFERENCES -- 14 Gold Nanoparticles: Monolayer-Protected Scaffolds and Building Blocks -- 1 INTRODUCTION -- 2 GOLD NANOPARTICLES: SYNTHESIS AND CHARACTERIZATION -- 3 CONTROLLED ASSEMBLY OF NANOPARTICLES -- 3.1 Control of Interparticle Distances (1-D) -- 3.2 Two-Dimensional (2-D) Organization Using Polymer Thin Films -- 3.3 Three-Dimensional (3-D) Control of Aggregate Shape and Size. , 4 BIOLOGICAL INTERACTION OF NANOPARTICLE: ASSEMBLY AND APPLICATIONS.

Note: Cover -- Title Page -- Copyright -- Contents -- Contributors -- Series Preface -- Volume Preface -- Part 1 Assembly and Trafficking of Simple Fe-S Clusters -- Nif System for Simple [Fe-S] Cluster Assembly in Nitrogen-Fixing Bacteria -- 1 Introduction -- 2 The Nif System as a Model for Analysis of Simple [Fe-S] Cluster Assembly -- 3 Analysis of the Mo-Dependent Nitrogen-Fixing System in A. vinelandii -- 4 Genetic Phenotypes and Biochemical Features Indicated a Role for NifU and NifS in [Fe-S] Cluster Formation -- 5 NifS Cysteine Desulfurase -- 6 NifU Provides a Scaffold for [Fe-S] Cluster Assembly -- 7 NifU and NifS as the Minimum Set for the Assembly and Transfer of Fe-S Clusters -- 8 The NifS/NifU [Fe-S] Cluster Assembly Toolkit Provides a Paradigm for Simple [Fe-S] Cluster Assembly -- 9 Functional Cross Talk Between [Fe-S] Cluster Biosynthetic Systems -- 10 Concluding Remarks -- 11 Acknowledgments -- 12 Related Articles -- 13 Abbreviations and Acronyms -- 14 References -- Iron-Sulfur Cluster Assembly in Bacteria and Eukarya using the ISC Biosynthesis Machinery -- 1 Introduction -- 2 Core Fe-S Cluster Assembly Step -- 3 Fe-S Cluster Transfer Step -- 4 From the Mitochondria to the Cytosol -- 5 Unsolved Questions -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- The Suf System in Archaea, Bacteria, and Eukaryotic Organelles -- 1 Introduction -- 2 Bacterial Suf Pathways: Diverse Roles in Fe-S Cluster Biogenesis -- 3 Archaea and the Origin of the Suf Pathway -- 4 Eukaryotic Suf Systems: A Role for Suf in Plastid Organelles and in the Cytoplasm -- 5 Conclusions -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Roles of Class II Glutaredoxins in the Maturation of Fe-S Proteins -- 1 Introduction -- 2 The Cellular Maturation of Fe-S Proteins in Model Organisms. , 3 Involvement of Glutaredoxins in the Maturation of Fe-S Proteins in Eukaryotes -- 4 Spectroscopic and Structural Data for Fe-S Bridged Complexes Involving Class II GRXs -- 5 Molecular Interactions Between Class II GRXs and their Partners -- 6 Conclusions -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- Part 2 Assembly of Complex and Heterometallic Fe-S Cluster Active Sites -- Nitrogenase Metallocluster Assembly -- 1 Introduction -- 2 Properties of NifDK Metalloclusters -- 3 Biosynthetic Factors -- 4 M-Cluster Biosynthesis -- 5 Biosynthesis of P Cluster -- 6 Discussion and Future Directions -- 7 Acknowledgments -- 8 Related Articles -- 9 Abbreviations and Acronyms -- 10 References -- Metallocluster Assembly: Maturation of [FeFe]-Hydrogenases -- 1 Introduction -- 2 The Metal Center of [FeFe]-Hydrogenases -- 3 A Protein Machinery for [FeFe]-Hydrogenase Maturation -- 4 The Hyd Proteins -- 5 Mechanism of Maturation of [FeFe]-Hydrogenases -- 6 Maturase-Free Chemical Maturation: A Unique Technological Tool -- 7 Conclusions -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- CO Dehydrogenase and Acetyl-CoA Synthase -- 1 Introduction -- 2 Maturation of Ni,Fe-CODHs -- 3 Maturation of Ni,Fe-Containing ACS -- 4 Outlook -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Part 3 Assembly of Homometallic and Heterometalic Cu Cluster Active Sites -- Assembly of Dinuclear Copper Center in Tyrosinases and Hemocyanins -- 1 Introduction -- 2 Tyrosinase and Hemocyanin: An Overview -- 3 Bacterial Tyrosinase -- 4 Mammalian Tyrosinase -- 5 Fungal Tyrosinase -- 6 Plant Tyrosinase (Catechol Oxidase) and Molluskan and Arthropod Hemocyanin -- 7 Summary -- 8 Related Articles -- 9 Abbreviations and Acronyms -- 10 References -- Multicopper Oxidases -- 1 Introduction. , 2 Overview of MCO Structure and Copper-Coordination Sites -- 3 MCOs In Vitro: Interconversion of Apo and Holo Forms and Their Stability -- 4 Copper Redox State as a Probe of Copper-Site Assembly: Fet3 -- 5 The Bacillus subtilis CotA MCO: Tracking the Protein and Metal In Vivo and In Vitro -- 6 Cellular Trafficking of MCO Proteins and Prosthetic Group Copper -- 7 Summary -- 8 Related Articles -- 9 Abbreviations and Acronyms -- 10 References -- Assembly of the Redox-Active Metal Centers of Cytochrome c Oxidase -- 1 Introduction -- 2 Heme a Biosynthesis and Insertion -- 3 Assembly of the CuB Center -- 4 Assembly of the CuA Center -- 5 Metallation of Copper Chaperones Involved in CcO Assembly -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 References -- CuA and CuZ Center Assembly in Nitrous Oxide Reductase -- 1 Introduction -- 2 The Enzyme Nitrous Oxide Reductase -- 3 Assembly of Copper Centers into Nitrous Oxide Reductase -- 4 Conclusions -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- MoCu CO Dehydrogenase and its Active-Site Assembly -- 1 Introduction -- 2 Chemolithoautotrophic Growth with CO -- 3 MoCu CO Dehydrogenase of Oligotropha carboxidovorans -- 4 CO Dehydrogenase Active-Site Assembly -- 5 Function of CoxG as Membrane Anchor -- 6 Summary -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- 10 Further Reading -- Part 4 Assembly of Homometallic and Heterometallic Mn Clusters -- Homo- and Heterometallic Dinuclear Manganese Proteins: Active Site Assembly -- 1 Introduction -- 2 Homometallic Manganese Proteins and their Cofactor Assembly -- 3 Heterometallic Manganese-Iron Proteins and their Cofactor Assembly -- 4 Conclusions -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References. , Biogenesis and Assembly of the CaMn4O5 Core of Photosynthetic Water Oxidases and Inorganic Mutants -- 1 Introduction: Brief History, Biogeological Impact -- 2 Structure and Evolution of PSII -- 3 WOC Operation -- 4 Manganese Speciation and Redox Equilibria Relevant to Cells -- 5 In Vitro Photoassembly -- 6 In Vivo Photoassembly -- 7 Future Directions -- 8 Acknowledgments -- 9 Related Articles -- 10 Abbreviations and Acronyms -- 11 References -- 12 Further Reading -- Part 5 Assembly of Homometallic and Heterometallic Ni Clusters -- Urease Activation -- 1 Introduction -- 2 Accessory Proteins Required for Urease Active Site Assembly -- 3 Acknowledgments -- 4 Related Articles -- 5 Abbreviations and Acronyms -- 6 References -- Insights into [NiFe]-Hydrogenase Active Site Metallocluster Assembly -- 1 Introduction -- 2 The Accessory Protein Machinery -- 3 Cofactor Biosynthesis -- 4 Nickel Insertion -- 5 The Conformational Switch and Active Site Closure -- 6 Protein Assembly -- 7 Perspectives -- 8 Acknowledgments -- 9 Related Articles -- 10 Abbreviations and Acronyms -- 11 References -- Part 6 Assembly of Cofactors for Binding Active-site Metal Centers -- Moco in Mo/W Enzymes -- 1 Introduction -- 2 The Biosynthesis of the Molybdenum Cofactors -- 3 The Biosynthesis of the Molybdenum Cofactors in Humans -- 4 Conclusions -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Heme Biosynthesis -- 1 Introduction -- 2 Synthesis of Aminolevulinic Acid (ALA) -- 3 Conversion of ALA to Uroporphyrinogen III -- 4 Siroheme-Dependent (SHD) Pathway -- 5 Further Preparation for the Coproporphyrin and Protoporphyrin-Dependent Pathways -- 6 Coproporphyrin-Dependent (CPD) Pathway -- 7 Protoporphyrin-Dependent (PPD) Pathway -- 8 Parasite Heme Biosynthesis -- 9 Regulation of Heme Synthesis -- 10 Future Directions in Heme Synthesis. , 11 Acknowledgments -- 12 Related Articles -- 13 Abbreviations and Acronyms -- 14 References -- Siroheme Assembly and Insertion to Nitrite and Sulfite Reductase -- 1 Siroheme Function -- 2 Siroheme Biogenesis: CysG -- 3 Cofactor Assembly -- 4 Related Articles -- 5 Abbreviations and Acronyms -- 6 References -- Biosynthesis of Coenzyme F430 and the Posttranslational Modification of the Active Site Region of Methyl-Coenzyme M Reductase -- 1 Introduction -- 2 Coenzyme F430 Biosynthesis -- 3 MCR Posttranslational Modifications -- 4 MCR Catalysis in ANME -- 5 Conclusions -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Coenzyme B12 Biosynthesis in Bacteria and Archaea -- 1 Introduction -- 2 De Novo Corrin Ring Biosynthesis -- 3 The Nucleotide Loop Assembly (NLA) Pathway -- 4 Salvaging Complete and Incomplete Corrinoids -- 5 Biosynthesis of DMB and other Benzimidazoles -- 6 Concluding Remarks -- 7 Acknowledgments -- 8 Glossary -- 9 Abbreviations and Acronyms -- 10 References -- Crosslinked Cys-Tyr Free Radical Redox Cofactor -- 1 Introduction -- 2 Cys-Tyr Copper Metalloradical Active Site -- 3 Cofactor Self-Processing Reaction -- 4 Conclusions -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Topaquinone Biogenesis and Lysyl Tyrosine Quinone Biogenesis in Cu Amine Oxidases -- 1 Introduction -- 2 Structural Background and Key Insights -- 3 Mechanistic Studies and the Characterization of Intermediates in TPQ Biogenesis -- 4 The Biogenesis of LTQ -- 5 Inorganic Reactivity Considerations -- 6 Acknowledgments -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- Index -- EULA.

Note: Intro -- Periodic Table of the Elements -- EIBC Books -- Title Page -- Copyright -- Encyclopedia of Inorganic and Bioinorganic Chemistry -- Contributors -- Series Preface -- Volume Preface -- Part 1: Introduction -- Mechanisms Controlling the Cellular Metal Economy -- 1 Introduction -- 2 Understanding the Cellular Metallome -- 3 Moving Metals Across Cellular Membranes -- 4 Insights into Iron, Copper, and Zinc Homeostases -- 5 Role of Transition Metals in Differentiation and Development -- 6 High Metal Quotas in Specialized Cells: Pathogens that Stand Out -- 7 Concluding Remarks -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Part 2: Probing Metals and Cross Talk in the Metallome -- The Metallome -- 1 Introduction -- 2 Copper -- 3 Molybdenum -- 4 Nickel and Cobalt -- 5 Other Metals -- 6 Ionomics -- 7 Concluding Remarks -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Cyanobacterial Models that Address Cross-Talk in Metal Homeostasis -- 1 Introduction -- 2 The Challenge of Metal Mal-Occupancy of Proteins -- 3 Periplasmic MncA and CucA: Experimental Evidence that Metal Availability at Protein Folding can Dominate Speciation -- 4 Copper-Chaperone Atx1 Inhibits Deleterious Side Reactions of Copper -- 5 Revisiting the Roles of Amino-Terminal Domains of P1-Type ATP in Metal Specificity -- 6 Metals Partition onto Many Pathways in Synechocystis PCC 6803 -- 7 Mechanisms of Specificity in Metal Sensors that do not Solely Rely on Affinity -- 8 Polydisperse Metal Buffers and the Associative Cell Biology of Metals -- 9 Acknowledgments -- 10 Abbreviations and Acronyms -- 11 References -- Sparing and Salvaging Metals in Chloroplasts -- 1 Introduction -- 2 Metal Sparing and Salvaging within the Chloroplast -- 3 Back-Ups -- 4 Reference Organisms for Sub-Cellular Metal Sparing and Salvaging -- 5 Copper -- 6 Iron. , 7 Zinc -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Fluorescent Probes for Monovalent Copper -- 1 Introduction -- 2 Thermodynamic Stability of Monovalent Copper -- 3 Synthetic Cu(I)-Responsive Fluorescent Probes -- 4 Genetically Encoded Cu(I)-Responsive Fluorescent Probes -- 5 Perspective -- 6 Acknowledgments -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- Fluorescent Zinc Sensors -- 1 Introduction -- 2 Classes of Fluorescent Sensors for Zinc -- 3 Localized Zinc Sensors -- 4 Using Sensors for Quantification of Zinc -- 5 Important Controls when Using Sensors for Quantification -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 References -- X-Ray Fluorescence Microscopy -- 1 Introduction -- 2 Physical Principles of X-Ray Fluorescence -- 3 Experimental Considerations -- 4 Data Analysis -- 5 Examples -- 6 Chemical Speciation -- 7 Summary and Future Prospects -- 8 Abbreviations and Acronyms -- 9 References -- Part 3: Moving Metals in Cells -- Iron and Heme Transport and Trafficking -- 1 Introduction -- 2 Cellular-Iron Import -- 3 Mitochondrial-Iron Metabolism -- 4 Coordination of Cellular Metabolism and Iron Homeostasis -- 5 Iron Export -- 6 Porphyrin and Heme Transport -- 7 Conclusions -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Iron in Plants -- 1 Introduction -- 2 The Reduction Strategy -- 3 The Chelation Strategy -- 4 Transcriptional Regulation of the Strategy I Response -- 5 Transcriptional Regulation of the Strategy II Response -- 6 Long Distance Iron Transport -- 7 Subcellular Iron Transport -- 8 Biofortification -- 9 Related Articles -- 10 Abbreviations and Acronyms -- 11 References -- Transport of Nickel and Cobalt in Prokaryotes -- 1 Introduction -- 2 Primary Active Uptake of Ni2+ and Co2+ Ions -- 3 Secondary Active Uptake of Ni2+ and Co2+ Ions. , 4 TonB-Dependent Transport of Ni2+ and Co2+ Ions Across the Outer Membrane of Gram-Negative Bacteria -- 5 Transporters Involved in Ni2+ and Co2+ Resistance -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 References -- Transport Mechanism and Cellular Functions of Bacterial Cu(I)-ATPases -- 1 Introduction -- 2 The Structure and Transport Mechanism of Cu(I)-ATPases -- 3 Novel Functions for Cu(I)-ATPases -- 4 Remaining Questions and Future Directions -- 5 Acknowledgments -- 6 End Notes -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- Copper Transport in Fungi -- 1 Introduction -- 2 Saccharomyces cerevisiae -- 3 Schizosaccharomyces pombe -- 4 Perspective -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Structural Biology of Copper Transport -- 1 Introduction -- 2 Copper Transporters -- 3 Abbreviations and Acronyms -- 4 References -- Zinc Transporters and Trafficking in Yeast -- 1 Introduction -- 2 Zinc Homeostasis in Yeast -- 3 Acknowledgments -- 4 Abbreviations and Acronyms -- 5 References -- Cadmium Transport in Eukaryotes -- 1 Introduction-History and Significance of Cadmium -- 2 Modes of Action and Molecular Targets of Cadmium -- 3 Transporters Involved in Cadmium Uptake -- 4 Chelation and Trafficking of Cadmium in the Cells -- 5 Subcellular Compartmentalization of Cadmium -- 6 Cadmium Efflux Transporters -- 7 Cadmium Stress Response -- 8 Summary and Perspective -- 9 Acknowledgments -- 10 Related Articles -- 11 Abbreviations and Acronyms -- 12 References -- Part 4: Metals in Regulation -- Metal Specificity of Metallosensors -- 1 Overview -- 2 Metal Selectivity in Prokaryotic Metallosensor Proteins -- 3 Different Protein Scaffolds are used to Sense the Same Metal Ion(s) -- 4 Concluding Remarks -- 5 Related Articles -- 6 Abbreviations and Acronyms -- 7 References. , Metal Homeostasis and Oxidative Stress in Bacillus subtilis -- 1 Introduction -- 2 Regulation of Metal Ion Stress Responses -- 3 Responses to Metal Ion Deficiency -- 4 An Intricate Network of Metal Ion Homeostasis -- 5 Acknowledgment -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Regulation of Manganese and Iron Homeostasis in the Rhizobia and Related α-Proteobacteria -- 1 General Introduction -- 2 Manganese Metabolism and Regulation of Homeostasis -- 3 Iron Metabolism and Regulation of Homeostasis -- 4 Coordination of Iron- and Manganese-Dependent Processes -- 5 Acknowledgments -- 6 Abbreviations and Acronyms -- 7 References -- The Iron Starvation Response in Saccharomyces cerevisiae -- 1 Iron as an Essential Nutrient -- 2 Transcriptional Response to Iron Deficiency -- 3 The Aft1/2 Regulon -- 4 Loss of Iron Cofactors in Iron Deficiency -- 5 Metabolic Adaptations to Iron Deficiency -- 6 Unresolved Questions in Iron Deficiency -- 7 Acknowledgments -- 8 Abbreviations and Acronyms -- 9 References -- Hepcidin Regulation of Iron Homeostasis -- 1 Introduction -- 2 Hepcidin: A New Protein in Iron Homeostasis -- 3 Regulation of Hepcidin and Regulation of Iron Homeostasis -- 4 Human Disorders of Hepcidin-Ferroportin Axis -- 5 Hepcidin as a Therapeutic Target -- 6 Conclusions -- 7 Related Articles -- 8 Abbreviations and Acronyms -- 9 References -- NikR: Mechanism and Function in Nickel Homeostasis -- 1 Introduction -- 2 Overall Structure -- 3 Metal Binding Properties -- 4 In Vivo Context of NikR and its Relation to Nickel Usage -- 5 Conclusions and Future Work -- 6 Abbreviations and Acronyms -- 7 References -- Regulation of Copper Homeostasis in Plants -- 1 Copper Utilization as a Micronutrient -- 2 Cu and Soil: Deficiency and Toxicity Symptoms -- 3 Plant Cuproproteins -- 4 Plastocyanin the Blue Cu Protein -- 5 Metallochaperones. , 6 Copper Transporters -- 7 Copper Homeostasis -- 8 Regulation of P1B-Type ATPases -- 9 Outlook -- 10 Related Articles -- 11 Abbreviations and Acronyms -- 12 References -- Regulation of Zinc Transport -- 1 Introduction -- 2 Measurement and Detection of Zinc Transport by ZnT and ZIP -- 3 Structural and Biochemical Features of ZnT and ZIP -- 4 Zinc Transport by ZnT and ZIP -- 5 Control of Zinc Transport through Regulated Expressionof ZnT and ZIP -- 6 Conclusions -- Related Articles -- 7 Abbreviations and Acronyms -- 9 References -- Selenoproteins-Regulation -- 1 Introduction -- 2 Regulation by Intake: Dietary Selenium -- 3 Regulation of Selenocysteine Incorporation -- 4 Regulation of Selenoprotein Synthesis -- 5 Concluding Remarks -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Part 5: Metals in Cellular Damage and Disease -- Metals in Bacterial Pathogenicity and Immunity -- 1 Introduction -- 2 Salmonella Disease Progression -- 3 Iron in Host-Pathogen Interactions -- 4 Zinc and Manganese in Host-Pathogen Interactions -- 5 Copper in Host-Pathogen Interactions -- 6 Cobalt and Nickel in Host-Pathogen Interactions -- 7 Conclusions -- 8 Related Articles -- 9 Abbreviations and Acronyms -- 10 References -- Manganese in Neurodegeneration -- 1 Introduction -- 2 Manganese-Induced Neurodegeneration -- 3 Neurodegenerative Diseases Related to Mn Exposure -- 4 Perspectives -- 5 Acknowledgments -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References -- Iron Sequestration in Immunity -- 1 Introduction -- 2 Iron Sequestration in Innate Immunity -- 3 Abbreviations and Acronyms -- 4 References -- Molecular Basis of Hemochromatosis -- 1 Introduction -- 2 Genetic Causes of Hemochromatosis -- 3 Conclusions and Future Directions -- 4 Acknowledgment -- 5 Related Articles -- 6 Abbreviations and Acronyms -- 7 References. , Copper in Brain and Neurodegeneration.

Note: Intro -- Applications of Physical Methods to Inorganic and Bioinorganic Chemistry -- Copyright Page -- Contents -- List of Contributors -- Series Preface -- Volume Preface -- Circular Dichroism (CD) Spectroscopy -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Measuring CD Spectra -- 2.2 Choice of Cuvettes -- 3 Applications -- 3.1 Identification of Protein Secondary Structure -- 3.2 CD Spectra of: Complexes of the Group 8-10 Transition Metals -- 3.3 CD Spectra of Group 11 Metals -- 3.4 CD Spectra of Complexes involving Group 12 metals -- 3.5 CD Spectral Data from other Metal Complexes -- 3.6 Metallothioneins: a Special Case of a Metalloprotein with Highly Sensitive Metal-dependent CD Spectral Properties -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 References -- Electrochemistry -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Electrode Reaction Fundamentals -- 2.2 Potentials of Electrochemical Reactions, E. -- 2.3 Electrochemical Cells and Practical Considerations -- 2.4 Electrochemical Processes -- 3 Applications -- 3.1 Potential Sweep Methods -- 3.2 Potential Step/Pulsed Methods -- 3.3 Hydrodynamic Methods -- 3.4 Bulk Electrolysis (BE) -- 3.5 Electrochemical Simulations -- 3.6 Correlation of Electrochemistry to Electronic Spectroscopy -- 3.7 Coupled Techniques -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 Further Reading -- 7 References -- Electron Paramagnetic Resonance (EPR) Spectroscopy -- Method Summary -- 1 Introduction -- 1.1 History and Terminology -- 2 Relationship Between ''Spin'', Angular Momentum, and Magnetic Moment -- 3 Zeeman Interaction -- 4 Electrons in Atoms and Molecules -- 5 The EPR Experiment-Measuring ''g'' -- 5.1 The EPR Spectrometer-How it Works -- 5.2 What Energy Is Used for Irradiation? -- 5.3 How Much Sample Is Needed? -- 5.4 Why the First Derivative?. , 5.5 Line Shape -- 5.6 Saturation and Spin Relaxation -- 6 The EPR Spectrometer-Setting the Parameters -- 7 Rapid Passage -- 8 Hyperfine Interaction-the Effect of Nuclear Spin -- 9 Anisotropy -- 10 Powder Spectra -- 11 Examples of S = 1/2 Signals in Metalloproteins -- 11.1 Sign of the Deviation of the g-factor from ge -- 11.2 Copper (Cu2+) -- 11.3 Vanadium (V4+) -- 11.4 Molybdenum (Mo5+) -- 11.5 Low-spin Heme (Fe3+) -- 11.6 Iron-Sulfur Clusters -- 12 S > -- 1/2 Spectra -- 12.1 The Energy Equation -- 12.2 Half-integer (Kramers) Systems -- 13 Example of S = 3/2 System-MoFe Protein of Nitrogenase -- 14 Example of S = 5/2 -- 14.1 Aquometmyoglobin -- 15 Integer-Spin (non-Kramers) Systems -- 16 Abbreviations and Acronyms -- 17 Related Articles -- 18 Further Reading -- 19 References -- Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopy -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Two-pulse ESEEM -- 2.2 Three-pulse ESEEM -- 2.3 Two-dimensional ESEEM -- 2.4 Practical Aspects of ESEEM Experiments -- 3 Application-Eseem Studies of Fe(II)/α-Ketoglutarate-Dependent Dioxygenases -- 3.1 Taurine Orientation -- 3.2 ESEEM Assignments and TauD Coordination Chemistry -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 Further Reading -- 7 References -- Electronic Spectroscopy -- Method Summary -- 1 Introduction -- 2 Basic Concepts -- 2.1 Excited State Energies -- 2.2 Transition Strengths -- 2.3 Transition Polarizations -- 2.4 Temperature-Dependent Spectra -- 2.5 Electric Field-Dependent Spectra -- 2.6 Magnetic Field-Dependent Spectra -- 2.7 Pressure-Dependent Spectra -- 2.8 Statistical Nature of Light and the Limits of Detection -- 3 Technologies -- 3.1 Light Sources -- 3.2 Light Detectors -- 3.3 Light Discriminators and Systems -- 3.4 The Optically Transparent Supporting Medium -- 3.5 Sample Cells and Sample Handling. , 4 Practical Examples -- 4.1 Pressure Dependence of Fe(II) Spin-Crossover System -- 4.2 Electroabsorption in [Ru(bpy)3]2+ -- 4.3 Zeeman Hole-Spreading in [Cr(bpy)3]3+ -- 4.4 The Blastochloris viridis Reaction Center -- 4.5 Low-Temperature Photochemistry in Photosystem II -- 5 Abbreviations and Acronyms -- 6 References -- Electron-Nuclear Double Resonance (ENDOR) Spectroscopy -- Method Summary -- 1 Introduction -- 1.1 Background for Electron Magnetic Resonance in General -- 1.2 Historical Background for ENDOR -- 1.3 Overview of Current Status of ENDOR in Bioinorganic Chemistry -- 2 Technical Background -- 2.1 General Theory Background for ENDOR Spectroscopy -- 2.2 ENDOR Transitions for a Simple Spin System -- 2.3 ENDOR Transitions for More Complicated Spin Systems -- 2.4 Anisotropy in ENDOR -- 3 Experimental Aspects -- 3.1 Computer Simulation of ENDOR Spectra -- 3.2 Background on Sample Requirements for ENDOR -- 3.3 Instrumental Requirements for ENDOR -- 4 Applications -- 4.1 Nitrogenase -- 5 Acknowledgments -- 6 Abbreviations and Acronyms -- 7 Related Articles -- 8 Further Reading -- 9 References -- Freeze-Quench Kinetics -- Method Summary -- 1 Introduction -- 2 The Pre-Steady State Kinetic Experiment -- 2.2 Rapid Mixing Techniques -- 3 From Milliseconds to Microseconds -- 3.1 Commonly Used Mixers -- 3.2 Microsecond Freeze-Hyperquenching (MHQ) -- 4 Examples -- 4.1 RFQ of Cytochrome P450 -- 4.2 MHQ of Metmyoglobin in Reaction with Azide -- 4.3 Ultrarapid Freeze-Quench of NO Reductase -- 5 Outlook -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 Further Reading -- 9 References -- High-Energy Electron Diffraction -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Electron Diffraction Techniques -- 2.2 Interpretation of Diffraction Pattern Geometry -- 2.3 Diffraction Pattern Symmetry and Crystal Space Group. , 2.4 Interpretation of Diffraction Pattern Intensity -- 2.5 Experimental Procedures -- 3 Applications -- 3.1 Phase Identification-CuO Nanowires -- 3.2 Crystal Orientation and Microstructure-the Structure of a CuO Nanowire -- 3.3 Structure Characterization of Supported Nanoclusters and Epitaxy -- 3.4 The Structure of Nanocrystalline Films-the Case of AgCu -- 3.5 In Situ Study of Phase Transformation-Charge Ordering in La0.50Ca0.50MnO3 -- 3.6 Symmetry Determination-the Glide and Structural Models in La0.33Ca0.67MnO3 -- 3.7 Polarity Determination -- 3.8 Accurate Lattice Parameter Measurement and Strain Mapping -- 3.9 Nanostructure Determination-the Case of Carbon Nanotubes -- 3.10 Structure Factor Measurement and Charge Distribution -- 4 Acknowledgement -- 5 Abbreviations and Acronyms -- 6 Further Reading -- 6.1 Books on electron diffraction -- 6.2 Software and websites for electron diffraction -- 6.3 Commercial suppliers -- 7 References -- High Resolution Electron Energy-Loss Spectroscopy -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Energy-Loss Mechanisms -- 2.2 Instrumentation -- 3 Selected Applications -- 3.1 Inorganic Molecules -- 3.2 Organic Molecules -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 End Notes -- 7 Further Reading -- 8 References -- Magnetic Circular Dichroism (MCD) Spectroscopy -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Magnetism and Optical Spectroscopy -- 2.2 Zeeman Splitting of States -- 2.3 CD and ORD Spectroscopy -- 3 Applications -- 3.1 Measuring MCD Spectra -- 3.2 Analysis of the Three Faraday Terms -- 3.3 Identification and Analysis of Faraday A Terms in the Spectra of Porphyrins with Excited State Degeneracy and Near Degeneracy -- 3.4 Identification and Analysis of Faraday C Terms in the Spectra of Phthalocyanines with Ground State Degeneracy. , 3.5 MCD Spectroscopy of Inorganic Ions -- 3.6 MCD Spectroscopy and Perimeter Molecular Orbital (MO) Models for Heteroaromatic π-Systems and Metal Complexes -- 3.7 Band Deconvolution as a Tool in the Quantitative Analysis of MCD Spectral Data-Application to the Spectra of Porphyrins and Phthalocyanines -- 3.8 MCD Spectroscopy of Heme Proteins -- 3.9 X-ray MCD Spectroscopy -- 3.10 Key Features in Selecting MCD Spectroscopy as a Technique with which to Probe the Electronic Structure of Atoms, Ions and Molecules -- 4 Abbreviations and Acronyms -- 5 References -- Metal Analysis -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Inductively Coupled Plasma -- 2.2 Sample Introduction -- 2.3 Inductively Coupled Plasma Optical Emission Spectrometry -- 2.4 Inductively Coupled Plasma Mass Spectrometry -- 3 Applications -- 3.1 Total Concentrations of Elements -- 3.2 Speciation of Small Molecules -- 3.3 Element-Specific Detection in Metallobiomolecules -- 3.4 Metallomics Approach -- 4 Abbreviations and Acronyms -- 5 Further Reading -- 6 References -- Microwave Rotational Spectroscopy -- Method Summary -- 1 Introduction -- 2 Technical Background -- 2.1 Instrument Design and Operation -- 2.2 Sample Preparation -- 3 Measured Quantities and Derived Information -- 3.1 Mechanical Parameters: Rotational and Centrifugal Distortion Constants -- 3.2 Nuclear Quadrupole Coupling Constants, Nuclear Spin-Rotation Constants, Nuclear Spin-Spin Interaction Constants -- 3.3 Electron Spin and Electron Orbital Angular Momentum Interactions -- 3.4 Barriers to Internal Motions -- 3.5 Dipole Moments -- 3.6 Effects of Spin Statistics -- 4 Case Studies -- 4.1 Noble Gas-Metal Bonding in, and Structures of, Noble Gas-Noble Metal Halides -- 4.2 Organometallic Compounds -- 4.3 Diatomic Transition Metal-containing Compounds. , 4.4 Species of Atmospheric and Astrophysical Interest.

Note: Intro -- Computational Inorganic and Bioinorganic Chemistry -- Contents -- List of Contributors -- Series Preface -- Volume Preface -- PART 1: METHODS -- Calculation of Bonding Properties -- 1 Introduction -- 2 EDA Method -- 3 Diatomic Molecules H2, N2, CO, BF -- 4 Acetylene and Heavier Group-14 Homologs HEEH (E = C-Pb) -- 5 Bonding in Transition-Metal Carbonyl ComplexesTM(CO)6q (TMq = Hf2−, Ta−, W, Re+, Os2+,Ir3+) -- 6 Bonding in [Mo(ZnR)12] -- 7 Conclusion -- 8 Abbreviations and Acronyms -- 9 References -- Determining Transition States in Bioinorganic Reactions -- 1 Introduction -- 2 Methods to Locate Transition States -- 3 Connecting to Experiment -- 4 Is the Protein Effect Critical for Hydrogen Peroxide Reduction by Glutathione Peroxidase (GPX)? -- 5 Transition States in QM:MM Models of Isopenicillin N Synthase -- 6 Co-C Bond Cleavage and Hydrogen Transfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or Concerted? -- 7 Summary -- 8 Glossary -- 9 Acknowledgments -- 10 Related Articles -- 11 Abbreviations and Acronyms -- 12 References -- Quantum Mechanical/Molecular Mechanical (QM/MM) Methods and Applications in Bioinorganic Chemistry -- 1 Introduction -- 2 Methods -- 3 Structures -- 4 Energies -- 5 Applications -- 6 Practical Recommendations -- 7 Conclusions -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Ab initio and Semiempirical Methods -- 1 Introduction -- 2 Correlated Ab initio Methods -- 3 Semiempirical SCF Methods -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 References -- Spectroscopic Properties of Protein-Bound Cofactors: Calculation by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches -- 1 Introduction -- 2 Combined Quantum Mechanics and Molecular Mechanics Methods -- 3 Use of QM/MM Methods in Computational Chemistry -- 4 Concluding Remarks -- 5 Acknowledgments. , 6 Abbreviations and Acronyms -- 7 References -- Spectroscopic Properties Obtained from Time-Dependent Density Functional Theory (TD-DFT) -- 1 Introduction -- 2 TD-DFT and Spectroscopic Properties -- 3 Benchmark Data and Some Case Studies -- 4 Concluding Remarks -- 5 Acknowledgments -- 6 End Notes -- 7 Abbreviations and Acronyms -- 8 References -- Nuclear Magnetic Resonance (NMR) Parameters of Transition Metal Complexes: Methods and Applications -- 1 Introduction -- 2 Methodological Aspects -- 3 NMR Parameters of Transition-Metal Nuclei -- 4 Ligand NMR Parameters -- 5 Ligand NMR Shifts for Paramagnetic Complexes -- 6 Concluding Remarks -- 7 End Notes -- 8 Related Articles -- 9 Abbreviations and Acronyms -- 10 References -- Calculation of Reduction Potential and pKa -- 1 Introduction -- 2 QM/MM/PCM Method -- 3 QM/PCM Method for pKa Calculations -- 4 QM/PCM Method: Reduction Potential -- 5 Empirical Method: PROPKA -- 6 Conclusion -- 7 Glossary -- 8 Acknowledgments -- 9 Abbreviations and Acronyms -- 10 References -- Quantum-Chemistry-Centered Normal Coordinate Analysis (QCC-NCA): Application of NCA for the Simulation of the Vibrational Spectra of Large Molecules -- 1 Vibrational Spectroscopy and Analysis -- 2 The Age of Density Functional Theory -- 3 The Best of Both Worlds: Combing DFT and NCA Using the QCC-NCA Approach -- 4 Application of the QCC-NCA Method to Simulate Nuclear Resonance Vibrational Data of Ferrous-Heme Nitrosyls -- 5 Outlook: Pushing the Limits -- 6 Acknowledgment -- 7 End Notes -- 8 Abbreviations and Acronyms -- 9 Further Reading -- 10 References -- Molecular Mechanics in Bioinorganic Chemistry -- 1 Introduction -- 2 Molecular Mechanics -- 3 Applications Involving s-Block Ions -- 4 Applications Involving Transition Metal Centers -- 5 Conclusions -- 6 Related Articles -- 7 Abbreviations and Acronyms -- 8 References. , Multiconfigurational Quantum Mechanics (QM) for Heavy Element Compounds -- 1 Introduction -- 2 The Complete Active Space Self-Consistent Field (CASSCF) Method -- 3 Second-Order Perturbation Theory (CASPT2) -- 4 Relativistic Effects -- 5 Applications -- 6 Summary and Conclusions -- 7 Acknowledgments -- 8 Abbreviations and Acronyms -- 9 References -- Approximate Density Functionals: Which Should I Choose? -- 1 Introduction -- 2 Functional Taxonomy -- 3 Hard Realities of Computation -- 4 Which System Do I Have? -- 5 Various Directions in DFT Development -- 6 Concluding Remarks -- 7 Acknowledgments -- 8 Abbreviations and Acronyms -- 9 Further Reading -- 10 References -- Spin Contamination in Inorganic Chemistry Calculations -- 1 Introduction -- 2 Hartree-Fock -- 3 Spin Operators -- 4 Projection Operators -- 5 Projected Methods -- 6 Applications -- 7 Conclusion -- 8 Acknowledgments -- 9 Related Articles -- 10 Abbreviations and Acronyms -- 11 References -- Gaussian Basis Sets for Quantum Mechanical (QM) Calculations -- 1 Introduction -- 2 General Considerations -- 3 Systematically Convergent Basis Sets -- 4 Basis Set Recommendations -- 5 Future Directions-Explicitly Correlated Approaches -- 6 Conclusions -- 7 Glossary -- 8 Abbreviations and Acronyms -- 9 References -- PART 2: CASE STUDIES - BIOINORGANIC -- Modeling Metalloenzymes with Density Functional and Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations: Progress and Challenges -- 1 Introduction -- 2 Overview of Computational Methods and Example Metalloenzyme Systems -- 3 Discussion -- 4 Conclusion -- 5 Acknowledgments -- 6 Abbreviations and Acronyms -- 7 Further Reading -- 8 References -- Broken Symmetry States of Iron-Sulfur Clusters -- 1 Introduction -- 2 Broken Symmetry and Spin States of Spin-Coupled Complexes -- 3 Quantum Cluster Interaction Energies With Protein and Solvent. , 4 4Fe4S Clusters -- 5 Nitrogenase Overview -- 6 Concluding Remarks -- 7 Glossary -- 8 Acknowledgments -- 9 Related Articles -- 10 Abbreviations and Acronyms -- 11 References -- Water Oxidation by the Manganese Cluster in Photosynthesis -- 1 Introduction -- 2 Methods and Models -- 3 S-State Transitions and O-O Bond Formation -- 4 Conclusions -- 5 Abbreviations and Acronyms -- 6 References -- Nature of the Catecholate-Fe(III) Bond: High Affinity Binding and Substrate Activation in Bioinorganic Chemistry -- 1 Introduction -- 2 Metal L-Edge Spectroscopy: Differential Orbital Covalency (DOC) -- 3 The Siderophores: High Affinity Binding -- 4 The Intradiol Dioxygenases: Activation for Catalysis -- 5 Concluding Comments -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 References -- Computational Studies: B12 Cofactors and Their Interaction with Enzyme Active Sites -- 1 Introduction -- 2 Brief Overview of Computational Methods Used In B12 Research -- 3 The Free B12 Cofactors -- 4 Enzyme-Bound B12 Cofactors -- 5 Conclusions -- 6 Acknowledgments -- 7 Abbreviations and Acronyms -- 8 Further Reading -- 9 References -- Reaction Coordinate of Pyranopterin Molybdenum Enzymes -- 1 Introduction -- 2 Sulfite Oxidase -- 3 Xanthine Oxidase -- 4 Acknowledgments -- 5 Abbreviations and Acronyms -- 6 References -- Electronic Structure Calculations: Dinitrogen Reduction in Nitrogenase and Synthetic Model Systems -- 1 Introduction -- 2 DFT Treatments of N2 Reduction in Model Systems -- 3 DFT Calculations on The FeMoco and Its Reactivity With N2 -- 4 Summary and Conclusions -- 5 Acknowledgments -- 6 End Notes -- 7 Abbreviations and Acronyms -- 8 References -- Hydrogenases: Theoretical Investigations Towards Bioinspired H2 Production and Activation -- 1 Introduction -- 2 Characterization of Key [NiFe]-Hydrogenase Forms. , 3 Characterization of Key [FeFe]-Hydrogenases Forms -- 4 Computation of Reaction Barriers to Discriminate Among Plausible Catalytic Mechanisms -- 5 Contributions to the Design and Characterization of Structural and Functional Synthetic Models of The Hydrogenase Active Sites -- 6 Outlook and Concluding Remarks -- 7 Appendix: Computation of IR Frequencies -- 8 Abbreviations and Acronyms -- 9 References -- Computational Studies: Cisplatin -- 1 Introduction -- 2 Mode of Action of Cisplatin -- 3 Structural/Cellular Responses to Cisplatin DNA Binding -- 4 Modeling Cisplatin-DNA Complexes -- 5 Small Models -- 6 Large Models -- 7 Related Studies -- 8 Concluding Remarks -- 9 Abbreviations and Acronyms -- 10 References -- Computational Methods: Modeling of Reactivity in Zn-Containing Enzymes -- 1 Introduction -- 2 Computational Techniques -- 3 Reactivity: Zn-Enzyme Catalysis -- 4 Conclusions -- 5 Abbreviations and Acronyms -- 6 References -- Combined Density Functional Theory (DFT) and Electrostatics Study of the Proton Pumping Mechanism in Cytochrome c Oxidase -- 1 Introduction -- 2 Methods and Models -- 3 Results and Discussion -- 4 Conclusion -- 5 Acknowledgments -- 6 Abbreviations and Acronyms -- 7 References -- Computational Studies: Proton/Water Coupling to Metals in Biological Reaction Mechanisms -- 1 Introduction -- 2 Cytochrome c Oxidase -- 3 Yeast Cytosine Deaminase -- 4 Oniom-MD -- 5 Calcium Pump -- 6 Concluding Remarks -- 7 Acknowledgments -- 8 Abbreviations and Acronyms -- 9 References -- Computational Studies: Chemical Evolution of Metal Sites -- 1 Introduction -- 2 Methodology -- 3 Molecular Evolution of Vitamin B12 -- 4 Molecular Evolution of Heme -- 5 Coevolution of Metals and Ligands -- 6 Molecular Evolution of Iron-Sulfur Clusters -- 7 Perspectives and Conclusions -- 8 Glossary -- 9 Acknowledgments -- 10 Related Articles. , 11 Abbreviations and Acronyms.

Note: Sediment provenance studies in hydrocarbon exploration and production: an introduction / H.R. Smyth, A. Morton, N. Richardson and R.A. ScottProvenance models: the role of sandstone mineral-chemical stratigraphy / A. Hurst and A. Morton -- Effects of sandstone provenance on reservoir quality preservation in the deep subsurface: experimental modelling of deep-water sand in the Gulf of Mexico / R.C. Tobin and D. Schwarzer -- The diagenetic destruction of porosity in plutoniclastic petrofacies: the Miocene Diligencia and Ecocene Maniobra formations, Orocopia Mountains, southern California, USA / L. Caracciolo, J. Arribas, R.V. Ingersoll and S. Critelli -- The influence of the provenance of arenite on its diagenesis in the Cameros Rift Basin (Spain) / J. Arribas, L. González-Acebrón, S. Omodeo-Salé and R. Mas -- Provenance, diagenesis and reservoir quality of the Upper Triassic Wolfville Formation, Bay of Fundy, Nova Scotia, Canada / Y.A. Kettanah, M.Y. Kettanah and G.D. Wach -- Along-strike variations in the composition of sandstones derived from the uplifting western Greater Caucasus: causes and implications for reservoir quality prediction in the Eastern Black Sea / S.J. Vincent, F. Hyden and W. Braham -- Understanding the provenance and reservoir quality of the Sele Formation sandstones of the UK Central Graben utilizing detrital garnet suites / B. Kilhams, A. Morton, R. Borella, A. Wilkins and A. Hurst -- Heavy mineral provenance of the Mesozoic succession in Andøya, northern Norway: implications for sand transport in the Vøring Basin / A. Morton, M. Fanning, and J.R. Berry -- Trying catchment to basin in a giant sediment routing system: a source-to-sink study of the Neogene-Recent Amur River and its delta in th e North Sakhalin Basin / U. Nicholson, S. Poynter, P.D. Clift and D.I.M. MacDonald -- Provenance study on Eocene-Miocene sandstones of the Rakhine Coastal Belt, Indo-Burman Ranges of Myanmar: geodynamics implications / T.T. Naing, D.A. Bussein, W.H. Winkler, M . Hold and A. von Quadt -- Heavy mineral record of Andean uplift and changing sediment sources across the NE margin of South America: a case study from Trinidad and Barbados / H. Vincent, G. Wach and Y. Ketannah -- Provenance of late Palaeozoic terrestrial sediments on the northern flank of the Mid North Sea High: detrital zircon geochronology and rutile geochemical constraints / A.M. Lundmark, E.P. Bue, R.H. Gabrielsen, K. Flatt, T. Strand and S.E. Ohm -- Constraining depositional models in the Barents Sea region using detrital zircon U-Pb data from Mesozoic sediments in Svalbard / E.P. Bue and A. Andresen -- Insights into crust formation and recycling in North Africa from combined U-Pb, Lu-Hf and O isotope data of detrital zircons from Devonian sandstone of southern Libya / G. Meinhold, A.C. Morton, C.M. Fanning, J.P. Howard, R.J. Phillips, D. Strogen and A.G. Whitman -- Detrital monazite geochronology, Upper Jurassic-Lower Cretaceous of the Scotian Basin: significance for tracking first-cycle sources / G. Pe-Piper, D.J.W. Piper and S. Triantafyllidis -- Tracing provenance and pathways of late Holocene Fluvio-deltaic sediments by heavy-metal spatial distribution (Po Plain-Northern Apennines system, Italy) / A Amorosi and I. Sammartino -- Reconstruction of the evolution of the Niger River and implications for sediment supply to the Equatorial Atlantic margin of Africa during the Cretaceous and the Cenozoic / K.P.M. Bonne -- Metamorphic grade of source rocks revealed by chemical fingerprints of detrital amphibole and garnet / S. Andò, A. Morton and E. Garzanti -- Using detrital garnet compositions to determine provenance: a new compositional database and procedure / S.M. Suggate and R. Hall -- Raman spectroscopy in heavy-mineral studies / S. Andò and E. Garzanti.

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Note: Includes bibliographical references (p. 269-277) and index , Electronic reproduction, Boulder, Colo : NetLibrary, 2004 , Acknowledgments -- Introduction : a personal journey -- I. Grand undertaking -- What is the Gothic enterprise? ; How were the cathedrals built? -- II. History -- Kings, feudal lords, and great monasteries ; Age of cathedral-building ; Initial vision ; Cathedral crusade -- III. Gothic look -- What is the Gothic look? ; Image of heaven ; Pragmatic view of cathedral-building -- IV. Religious experience -- Sacred force and sacred space ; Imagining the cathedral ; Honoring the dead -- V. Gothic community -- Medieval living conditions ; Spiritual brokers--priests and monarchs ; Cathedrals and community -- Conclusion : Learning from Stonehenge

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