What is included with this book?
Liquid Water at Low Temperature: Clues for Biology? | p. 1 |
Introduction | p. 1 |
What is the Puzzle of Liquid Water? | p. 2 |
Volume Fluctuations | p. 2 |
Entropy Fluctuations | p. 3 |
Volume-Entropy Cross-Correlations | p. 3 |
Why Do We Care About Liquid Water? | p. 4 |
Clues for Understanding Water | p. 5 |
Qualitative Picture: Locally Structured Transient Gel | p. 5 |
`Locally Structured' | p. 5 |
`Transient Gel' | p. 6 |
Microscopic Structure: Local Heterogeneities | p. 6 |
Liquid-Liquid Phase Transition Hypothesis | p. 8 |
Plausibility Arguments | p. 9 |
Tests of the Hypothesis: Computer Water | p. 11 |
Does <$>1/K_T^{\rm max}<$> Extrapolate to Zero at (<$>T_{c^{\prime}}, P_{c^{\prime}}<$>)? | p. 11 |
Is There a `Kink' in the P¿ Isotherms? | p. 11 |
Is There a Unique Structure of the Liquid near the Kink? | p. 12 |
Does the Coordination Number Approach Four as C' is Approached? | p. 12 |
Is It Possible that Two Apparent `Kink' Coexist Below C'? | p. 12 |
Do Fluctuations Appear at All Time Scales? | p. 13 |
Is There `Critical Slowing Down' of a Characteristic Time Scale? | p. 13 |
Is the Characteristic Dynamics of Each `Phase' Different? | p. 14 |
Is There Evidence for a HDL-LDL Critical Point from Independent Simulations? | p. 14 |
Tests of the Hypothesis: Real Water | p. 15 |
A Cautionary Remark | p. 15 |
Previous Work | p. 15 |
Recent Work | p. 16 |
Discussion | p. 18 |
Outlook | p. 19 |
References | p. 20 |
Ab Initio Theoretical Study of Water: Extension to Extreme Conditions | p. 25 |
Introduction | p. 25 |
Liquid Structure, Electronic and Thermodynamic Properties of Water | p. 26 |
Ab Initio Polarizable Model of Water | p. 28 |
Electronic Polarization and Energetics | p. 28 |
Solvation Structure of Liquid Water | p. 31 |
Hydrogen Bonding in Liquid Water | p. 34 |
Theoretical Prediction of pKw | p. 37 |
Description of the Auto-ionization Process in Water | p. 38 |
Solvation Structure of H2O, H3O+, and OH- | p. 39 |
Free Energy, Its Components and pKw | p. 43 |
Conclusions | p. 50 |
Electronic and Liquid Structure of Water | p. 50 |
The State Dependence of pKw | p. 51 |
References | p. 52 |
The Behavior of Proteins Under Extreme Conditions: Physical Concepts and Experimental Approaches | p. 53 |
Introduction | p. 53 |
Physical Concepts | p. 54 |
Volume and Hydration | p. 54 |
Compressibility and Volume Fluctuations | p. 55 |
Thermal Expansion and Volume-Entropy Fluctuations | p. 56 |
Heat Capacity and Entropy Fluctuations | p. 56 |
Gruneisen Parameter | p. 57 |
Protein Stability and Unfolding | p. 57 |
Glass Transitions | p. 60 |
Experimental Approaches | p. 60 |
Thermodynamic Properties | p. 61 |
Absorption Spectroscopy | p. 62 |
Emission Spectroscopy | p. 66 |
NMR Spectroscopy | p. 68 |
Diffraction and Scattering Techniques | p. 69 |
High-Pressure Computer Simulations | p. 69 |
Conclusions: Facts and Hypotheses | p. 70 |
References | p. 71 |
High-Pressure NMR Spectroscopy of Proteins | p. 75 |
Introduction | p. 75 |
Experimental Methods | p. 77 |
Survey of High-Pressure NMR Techniques | p. 77 |
Instrumention for the Autoclave Approach | p. 79 |
Model Proteins | p. 86 |
Ribonuclease A | p. 87 |
Hen Lysozyme | p. 88 |
Apomyoglobin | p. 88 |
Arc Repressor | p. 89 |
Results and Discussion | p. 89 |
Determination of the Activation Volume of the Uncatalyzed Hydrogen Exchange Reaction Between N-Methylacetamide and Water | p. 89 |
Cold, Heat, and Pressure Unfolding of Ribonuclease A | p. 91 |
Pressure-Assisted, Cold-Denatured Lysozyme Structure and Comparison with Lysozyme Folding Intermediates | p. 92 |
Denaturation of Apomyoglobin Mutants by High Pressure | p. 95 |
High-Pressure NMR Study of the Dissociation of the Arc Repressor | p. 96 |
Conclusions | p. 97 |
References | p. 97 |
Pressure-Induced Secondary Structure Changes of Proteins Studied by FTIR Spectroscopy | p. 101 |
Introduction | p. 101 |
Experimental Methods | p. 103 |
Sample amd Solutions | p. 103 |
Deuterated Solutions | p. 103 |
High-Pressure FTIR Measurements | p. 103 |
Results and Discussion | p. 104 |
Ribonuclease A | p. 104 |
Ribonuclease S | p. 109 |
Bovine Pancreatic Trypsin Inhibitor | p. 113 |
Conclusions | p. 117 |
References | p. 118 |
The Small Angle X-Ray Scattering from Proteins Under Pressure | p. 121 |
Introduction | p. 121 |
Protein Folding Under Pressure Related to SAXS | p. 122 |
Information Available from SAXS | p. 122 |
Experimental Methods | p. 124 |
High-Pressure Cell for SAXS | p. 124 |
Absorption of X-Rays | p. 125 |
Contrast Effect by Pressure | p. 126 |
High-Pressure SAXS Experiments at a Synchrotron Facility | p. 126 |
Data Analysis of SAXS Profiles | p. 127 |
Results and Discussion | p. 128 |
Pressure Denaturation of Metmyoglobin | p. 128 |
Pressure Dissociation of LDH | p. 130 |
Conclusion and Future Prospects | p. 136 |
References | p. 137 |
Accurate Calculations of Relative Melting Temperatures of Mutant Proteins by Molecular Dynamics/Free Energy Perturbation Methods | p. 139 |
Introduction | p. 139 |
Molecular Dynamics Simulation of Proteins | p. 142 |
Equilibrium Structure and Thermal Fluctuation | p. 146 |
Computational Mutagenesis | p. 149 |
Free Energy Perturbation Method | p. 150 |
Free Energy Component Analysis | p. 152 |
Calculation Results of ¿Tm and ¿¿G | p. 152 |
Stability Mechanism of Val74Ile RNaseHI Mutant | p. 154 |
Stability Mechanism of Ile→Val Lysozyme Mutants | p. 158 |
Approximation Level Dependence | p. 159 |
Conclusion | p. 161 |
Appendix: Relationship Between ¿Tm and ¿¿G | p. 162 |
References | p. 165 |
Enzyme Kinetics: Stopped-Flow Under Extreme Conditions | p. 167 |
Introduction | p. 167 |
Basic Principles | p. 168 |
Cryo-Baro-Enzymology | p. 168 |
Exploitation of Data | p. 169 |
The High-Pressure, Variable-Temperature, Stopped-Flow Technique(HP-VT-SF) | p. 170 |
General Design | p. 170 |
Source of Artifacts in Stopped-Flow Operating Under Extreme Conditions | p. 172 |
Recent Progress | p. 172 |
Examples of Application | p. 173 |
Steady-State Kinetics of Enzymes of Monomeric or Polymeric Quaternary Structure | p. 174 |
Structure-Function Relations: Case of Muscle Contraction | p. 176 |
Micellar Enzymology | p. 176 |
Transient Enzyme Kinetics | p. 179 |
Carbon Monoxide (CO) Binding | p. 180 |
Electron-Transfer Reactions | p. 180 |
Conclusions | p. 183 |
References | p. 184 |
Pressure Effects on the Intramolecular Electron Transfer Reactions in Hemoproteins | p. 187 |
Introduction | p. 187 |
Materials and Methods | p. 189 |
Preparation of the Ruthenium-modified Proteins | p. 189 |
Measurements of Flash Photolysis Under High Pressure | p. 191 |
Results | p. 191 |
Electron Transfer in Ruthenium-Modified Cytochrome b5 | p. 191 |
Electron Transfer in Ruthenium-Modified, Zinc-Substituted Myoglobins | p. 194 |
Discussion | p. 197 |
Factors Regulating the Electron Transfer Reaction and Their Pressure Dependence | p. 197 |
The Pathway for Electron Transfer in Ruthenium-Modified Cytochrome b5 | p. 198 |
The Pathway for Electron Transfer in Ruthenium-Modified, Zinc-Substituted Myoglobin | p. 199 |
References | p. 201 |
Marine Microbiology: Deep-Sea Adaptations | p. 205 |
Introduction | p. 205 |
Isolation and Taxonomy of Deep-Sea Barophilic (Piezophilic) Microorganisms | p. 206 |
Isolation and Growth Properties | p. 206 |
Taxonomy | p. 208 |
High-Pressure Sensing and Adaptation in Deep-Sea Microorganisms | p. 212 |
Introduction | p. 212 |
Pressure Regulation in Microorganisms Outside of the Genus Shewanella | p. 213 |
Pressure-Regulated Operons in Shewanella Species | p. 214 |
Pressure-Sensing Mechanisms | p. 216 |
Concluding Remarks | p. 217 |
References | p. 219 |
Submarine Hydrothermal Vents as Possible Sites of the Origin of Life | p. 221 |
Introduction | p. 221 |
Abiotic Formation of Bioorganic Compounds in Planetary Atmospheres | p. 222 |
Abiotic Formation of Bioorganic Compounds in Space | p. 224 |
The Primeval Ocean as a Cradle of Life on Earth | p. 225 |
Implication of the Present Hydrothermal Systems for the Condition of the Primeval Ocean | p. 226 |
Heat Energy and Quenching | p. 227 |
Reducing Environments | p. 228 |
High Concentration of Trace Metal Ions | p. 228 |
Experiments in Simulated Hydrothermal Vent Environments | p. 229 |
Synthesis of Amino Acids | p. 229 |
Stability of Amino Acids in Vent Environments | p. 231 |
Formation of Microspheres and Oligomers | p. 233 |
Conclusion | p. 235 |
References | p. 236 |
The Effect of Hydrostatic Pressure on the Survival of Microorganisms | p. 239 |
Introduction | p. 239 |
Experimental Methods | p. 240 |
Microorganisms | p. 240 |
High-Pressure Experiments | p. 240 |
Staining of E. coli Cells with Fluorescent Dyes | p. 240 |
Transmission Electron Microscopy of E. coli Cells | p. 241 |
Results and Discussion | p. 241 |
Barotolerance of Bacteria | p. 241 |
Kinetics of Pressure Inactivation | p. 244 |
Stainability of E. coli Cells and Electron Microscopy | p. 250 |
Conclusions | p. 254 |
References | p. 254 |
Dynamics of Cell Structure by Pressure Stressin the Fission Yeast Schizosaccharomyces pombe | p. 257 |
Introduction | p. 258 |
Experimental Methods | p. 258 |
Yeast Strain and Cultivation | p. 258 |
High-Pressure Treatments | p. 259 |
Colony-Forming Ability | p. 259 |
Dye Plate-Colony Color Assay | p. 259 |
Fluorescence Microscopy | p. 259 |
Conventional Electron Microscopy by Freeze-Substitution Fixation | p. 259 |
Immunoelectron Microscopy by Frozen Thin-Sectioning | p. 260 |
Results and Discussion | p. 260 |
Response of S. pombe Cells to Pressure Stress | p. 260 |
Induction of Diploidization in S. pombe | p. 261 |
Influence of Pressure Stress on the Cold-Sensitive nda3 Mutant | p. 261 |
Properties of the Cold-Sensitive nda3 Mutant Cytoskeleton | p. 263 |
Dynamics of the Cold-Sensitive nda3 Mutant Cytoskeleton | p. 264 |
Transmission Electron Microscopic Images of the Ultrastructure of Pressure Stress Cells | p. 267 |
Changes in Actin Cytoskeleton Induced by Pressure Stress | p. 272 |
Conclusions | p. 277 |
References | p. 277 |
Subject Index | p. 279 |
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