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Compression response of a rapid-strengthening ultra-high performance concrete formulation / / [Ben Graybeal]
| Compression response of a rapid-strengthening ultra-high performance concrete formulation / / [Ben Graybeal] |
| Autore | Graybeal Ben |
| Pubbl/distr/stampa | McLean, VA : , : U.S. Department of Transportation, Federal Highway Administration, Research, Development, and Technology, Turner-Fairbank Highway Research Center, , 2012 |
| Descrizione fisica | 1 online resource (6 pages) : color illustrations |
| Collana | Techbrief |
| Soggetto topico |
Prefabricated bridges
Concrete - Curing Materials - Compression testing High strength concrete Bridges - Design and construction - Technological innovations Hydration |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910702368103321 |
Graybeal Ben
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| McLean, VA : , : U.S. Department of Transportation, Federal Highway Administration, Research, Development, and Technology, Turner-Fairbank Highway Research Center, , 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Daily water intake among U.S. men and women : 2009-2012 / / Asher Rosinger and Kirsten Herrick
| Daily water intake among U.S. men and women : 2009-2012 / / Asher Rosinger and Kirsten Herrick |
| Autore | Rosinger Asher |
| Pubbl/distr/stampa | Hyattsville, MD : , : U.S. Department of Health and Human Services, Centers for Disease Control and Prevention, National Center for Health Statistics, , 2016 |
| Descrizione fisica | 1 online resource (7 pages, 1 unnumbered page) : color illustrations |
| Collana |
NCHS data brief
DHHS publication |
| Soggetto topico |
Water - Health aspects - United States
Hydration |
| Soggetto genere / forma | Statistics. |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Daily water intake among U.S. men and women |
| Record Nr. | UNINA-9910707246903321 |
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Rosinger Asher
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| Hyattsville, MD : , : U.S. Department of Health and Human Services, Centers for Disease Control and Prevention, National Center for Health Statistics, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Estimation of hydrolysis rate constants of carboxylic acid ester and phosphate ester compounds in aqueous systems from molecular structure by SPARC [[electronic resource] /] / By S. H. Hilal
| Estimation of hydrolysis rate constants of carboxylic acid ester and phosphate ester compounds in aqueous systems from molecular structure by SPARC [[electronic resource] /] / By S. H. Hilal |
| Autore | Hilal S. H |
| Pubbl/distr/stampa | Washington, DC : , : U.S. Environmental Protection Agency, Office of Research and Development, , [2006] |
| Descrizione fisica | x, 102 pages : digital, PDF file |
| Soggetto topico |
Hydrolysis
Hydration |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Sparc Performs Automated Reasoning in Chemistry |
| Record Nr. | UNINA-9910696446503321 |
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Hilal S. H
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| Washington, DC : , : U.S. Environmental Protection Agency, Office of Research and Development, , [2006] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Fluid balance, hydration, and athletic performance / / edited by Flavia Meyer, Zbigniew Szygula, Boguslaw Wilk
| Fluid balance, hydration, and athletic performance / / edited by Flavia Meyer, Zbigniew Szygula, Boguslaw Wilk |
| Pubbl/distr/stampa | Boca Raton, Florida : , : CRC Press, , [2016] |
| Descrizione fisica | 1 online resource (449 p.) |
| Disciplina | 617.1/027 |
| Soggetto topico |
Body fluids
Hydration Dehydration (Physiology) |
| ISBN |
1-000-21896-1
0-429-18327-5 1-4822-2331-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Contents; Preface; Acknowledgments; Editors; Contributors; Section I: the Fundamentals; Chapter 1: Body Water: Balance, Turnover, Regulation, and Evaluation; Chapter 2: Sodium Balance during Exercise and Hyponatremia; Chapter 3: Human Perspiration and Cutaneous Circulation; Section II: effects of Fluid imbalance on Body Functions and Performance; Chapter 4: Cardiovascular Responses to Body Fluid Imbalance; Chapter 5: Thermal Strain and Exertional Heat Illness Risk: Total Body Water and Exchangeable Sodium Deficits
Chapter 6: Gastrointestinal and Metabolic Responses to Body Fluid Imbalance during ExerciseChapter 7: Role of Fluid Intake in Endurance Sports; Chapter 8: Effect of Dehydration on Muscle Strength, Power, and Performance in Intermittent High- Intensity Sports; Chapter 9: Effect of Dehydration on Cognitive Function, Perceptual Responses, and Mood; Section III: Special Populations; Chapter 10: Dehydration and the Young Athlete: Effects on Health and Performance; Chapter 11: Water Balance and Master Athletes; Chapter 12: Athletes with Chronic Conditions: Diabetes Chapter 13: Athletes with Chronic Conditions: ObesityChapter 14: Athletes with Chronic Conditions: Hypertension; Chapter 15: Athletes with Chronic Renal Diseases; Chapter 16: Practical Considerations for Fluid Replacement for Athletes with a Spinal Cord Injury; Chapter 17: Athletes with Chronic Conditions: Sickle Cell Trait; Section IV: Recommendations; Chapter 18: Water Replacement before, during, and after Exercise: How Much Is Enough?; Chapter 19: Plain Water or Carbohydrate-Electrolyte Beverages; Chapter 20: Need of Other Elements; Back Cover |
| Record Nr. | UNINA-9910410649803321 |
| Boca Raton, Florida : , : CRC Press, , [2016] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hydrated materials : applications in biomedicine and the environment / / edited by Yoshitaka Nakanishi
| Hydrated materials : applications in biomedicine and the environment / / edited by Yoshitaka Nakanishi |
| Pubbl/distr/stampa | Boca Raton, Florida : , : CRC Press, , [2015] |
| Descrizione fisica | 1 online resource (156 p.) |
| Disciplina | 541.372 |
| Soggetto topico |
Hydration
Materials - Mechanical properties Materials - Technological innovations |
| ISBN |
0-429-07637-1
981-4463-22-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Front Cover; Contents; Preface; Chapter 1 Mechanics of Materials; Chapter 2 Tribology: Friction, Wear and Lubrication; Chapter 3 Articular Cartilage; Chapter 4 The Human Skin and Hydration; Chapter 5 Hydrogel Materials for Tissue Engineering; Chapter 6 Polyethylene Glycol Gel for Orthopaedic Technologies; Chapter 7 Environmentally Friendly Bearing and Sealing Systems with Artificial Articular Cartilage for Power Generation from Natural Energy; Chapter 8 Controlling Water- Based or Oil- Based Film between Shoes and the Floor to Prevent Slips and Falls; Back Cover |
| Record Nr. | UNINA-9910787331303321 |
| Boca Raton, Florida : , : CRC Press, , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hydrated materials : applications in biomedicine and the environment / / edited by Yoshitaka Nakanishi
| Hydrated materials : applications in biomedicine and the environment / / edited by Yoshitaka Nakanishi |
| Pubbl/distr/stampa | Boca Raton, Florida : , : CRC Press, , [2015] |
| Descrizione fisica | 1 online resource (156 p.) |
| Disciplina | 541.372 |
| Soggetto topico |
Hydration
Materials - Mechanical properties Materials - Technological innovations |
| ISBN |
0-429-07637-1
981-4463-22-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Front Cover; Contents; Preface; Chapter 1 Mechanics of Materials; Chapter 2 Tribology: Friction, Wear and Lubrication; Chapter 3 Articular Cartilage; Chapter 4 The Human Skin and Hydration; Chapter 5 Hydrogel Materials for Tissue Engineering; Chapter 6 Polyethylene Glycol Gel for Orthopaedic Technologies; Chapter 7 Environmentally Friendly Bearing and Sealing Systems with Artificial Articular Cartilage for Power Generation from Natural Energy; Chapter 8 Controlling Water- Based or Oil- Based Film between Shoes and the Floor to Prevent Slips and Falls; Back Cover |
| Record Nr. | UNINA-9910822826803321 |
| Boca Raton, Florida : , : CRC Press, , [2015] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hydrated phases in blended cement systems and synthetic saltstone grouts / / Kenneth A. Snyder; Paul A. Stutzman
| Hydrated phases in blended cement systems and synthetic saltstone grouts / / Kenneth A. Snyder; Paul A. Stutzman |
| Autore | Snyder Kenneth A |
| Pubbl/distr/stampa | Gaithersburg, MD : , : U.S. Dept. of Commerce, National Institute of Standards and Technology, , 2013 |
| Descrizione fisica | 1 online resource (50 pages) : illustrations (black and white) |
| Altri autori (Persone) |
SnyderKenneth A
StutzmanPaul A |
| Collana | NISTIR |
| Soggetto topico |
Cement
Hydration |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910709590903321 |
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Snyder Kenneth A
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| Gaithersburg, MD : , : U.S. Dept. of Commerce, National Institute of Standards and Technology, , 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hydration structures of proteins : atomic details / / Masayoshi Nakasako
| Hydration structures of proteins : atomic details / / Masayoshi Nakasako |
| Autore | Nakasako Masayoshi |
| Pubbl/distr/stampa | Tokyo, Japan : , : Springer, , [2021] |
| Descrizione fisica | 1 online resource (321 pages) |
| Disciplina | 541.372 |
| Collana | Soft and Biological Matter |
| Soggetto topico |
Hydration
Proteins Hydratation |
| ISBN | 4-431-56919-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intro -- Preface -- Acknowledgements -- Contents -- About the Author -- Glossary of Symbols -- 1 Introduction -- 1.1 Water: The Cradle of Life -- 1.2 Structure and Interaction of Water Molecules -- 1.2.1 Structure of Water Molecules -- 1.2.2 Interactions Between Water Molecules -- 1.2.3 Hydrogen Bond Between Water Molecules -- 1.3 Phase Diagram of Water -- 1.3.1 Three Phases of Water -- 1.3.2 Hexagonal Ice and Amorphous Ice -- 1.4 Properties of Liquid Water -- 1.4.1 Unusual Physical Properties -- 1.4.2 Brownian Motion in Liquid Water -- 1.4.3 Structure of Liquid Water -- 1.5 Hydration -- 1.5.1 Solvation -- 1.5.2 Hydration -- 1.5.3 Hydration of Hydrophobic Molecules -- 1.6 Hydration Structures of Proteins -- 1.6.1 Proteins -- 1.6.2 Hydration Structures of Proteins -- 1.7 Scope of This Monograph -- References -- 2 Biophysical Methods to Investigate Hydration Structures of Proteins -- 2.1 Introduction -- 2.2 X-Ray Crystallography at Cryogenic Temperatures -- 2.2.1 Outline -- 2.2.2 Crystallographic Structure Refinement -- 2.2.3 Difference Fourier Map -- 2.2.4 X-Ray Crystallography at Cryogenic Temperatures -- 2.3 Cryogenic Electron Microscopy -- 2.3.1 Outline -- 2.3.2 Specimen Preparation and Image Collection -- 2.3.3 Image Processing and Single-Particle Analysis -- 2.4 Time-Resolved Fluorescence Measurement -- 2.4.1 Outline -- 2.4.2 Up-conversion Method -- 2.5 Molecular Dynamic Simulation -- 2.5.1 Outline -- 2.5.2 Force Field -- References -- 3 Hydration Structures Inside Proteins -- 3.1 Introduction -- 3.2 Water Molecules Inside Proteins -- 3.2.1 Tightly Bound Water Molecules -- 3.2.2 Water Molecules Confined Inside Proteins -- 3.3 Hydration Water Molecules as Glue in Protein Complexes -- 3.3.1 Hydration at the Subunit Interface of a Protein Complex -- 3.3.2 Hydration Sites Conserved in Protein Families.
3.4 Hydration Water Molecules as Lubricant at the Protein Interface -- 3.5 Hydration Water Molecules in the Ligand-Binding Sites -- References -- 4 Hydration Layer Around Proteins -- 4.1 Introduction -- 4.2 Hydration Layer -- 4.2.1 First- and Second-Layer Classes -- 4.2.2 Distance Distribution and Positional Fluctuation -- 4.2.3 Monolayer Hydration -- 4.2.4 Contact Class -- 4.3 Local Patterns in Protein Hydration -- 4.3.1 Patterns on Hydrophilic Surfaces -- 4.3.2 Hydration Patterns on Hydrophobic Surfaces -- 4.3.3 Tetrahedral Hydrogen Bond Geometry of Water Molecules -- 4.4 Hydration Structures in Molecular Dynamics Simulation -- 4.4.1 Computation of Solvent Density -- 4.4.2 Characteristics of Solvent Density -- References -- 5 Structural Characteristics in Local Hydration -- 5.1 Introduction -- 5.2 Empirical Hydration Distribution Around Polar Atoms -- 5.2.1 Construction -- 5.2.2 Distribution Around Polar Protein Atoms -- 5.2.3 Hydration of Aromatic Acceptors -- 5.2.4 Characteristics and Benefits of the Empirical Hydration Distributions -- 5.2.5 Tetrahedral Hydrogen Bond Geometry -- 5.3 Assessment of Force Fields of Polar Protein Atoms -- 5.3.1 Models of Water Molecule Suitable for Simulation -- 5.3.2 Hydration of Deprotonated Polar Atoms in sp2-Hybridization -- 5.3.3 Hydration of Protonated Nitrogen Atoms in sp2- or sp3-Hybridization -- 5.3.4 Hydration of Protonated Oxygen Atoms in sp2- or sp3-Hybridization -- 5.3.5 Molecular Dynamics Simulation of Proteins Using Force Field with Lone-Pair Electrons -- References -- 6 Prediction of Hydration Structures -- 6.1 Introduction -- 6.2 Computation of Probability Distribution of Hydration Water Molecules [19] -- 6.3 Prediction for Soluble Protein [19] -- 6.3.1 On Solvent-Exposed Surfaces and in Cavities -- 6.3.2 At Interface in Protein Complex -- 6.4 Prediction for Membrane Proteins. 6.4.1 For Surfaces of Membrane Proteins -- 6.4.2 For Channels in Transmembrane Regions -- 6.5 Accuracy of Prediction -- 6.6 Comparison of the Prediction with Theory of Liquids -- 6.7 Utilization of Probability Distribution in Structure Analysis -- 6.7.1 Assessment on Hydration Water Sites -- 6.7.2 Probability Distribution-Weighted Electron Density Map [55] -- 6.8 Prediction of Hydration Structures on Hydrophobic Surfaces -- References -- 7 Network of Hydrogen Bonds Around Proteins -- 7.1 Introduction -- 7.2 Network of Hydrogen Bonds -- 7.2.1 Chain Connection of Hydrogen Bonds -- 7.2.2 Percolation Property -- 7.3 Probability of Hydrogen Bond Formation -- 7.4 Network of Hydrogen Bonds in Simulation Trajectory -- 7.5 Influence of Networks of Hydrogen Bonds on Protein Motions -- References -- 8 Dipole-Dipole Interactions in Hydration Layer -- 8.1 Introduction -- 8.2 Orientational Ordering of Hydration Water Molecules -- 8.2.1 Coherent Patterns of Time-Averaged Water Dipoles -- 8.2.2 Solvent Dipole and Network of Hydrogen Bonds -- 8.2.3 Solvent Dipole in Drug Design -- 8.2.4 Poisson-Boltzmann Equation and Orientation Ordering of Water Molecules -- 8.3 Fluorescence from Tryptophan Side Chains Exposed to Solvent -- 8.3.1 Fluorescence from Photo-Excited Tryptophan of Protein -- 8.3.2 Interpretation of Dynamic Stokes Shift -- 8.3.3 Orientation Ordering of Water Molecules Around Tryptophan Side Chains -- 8.3.4 Origin of Dynamic Stokes Shift -- References -- 9 Hydration Structure Changes of Proteins at Work -- 9.1 Introduction -- 9.2 Experimental Evidence on Hydration-Regulated Protein Motion -- 9.2.1 Domain Motion in Glutamate Dehydrogenase -- 9.2.2 Hydration Structure Changes in Domain Motion -- 9.2.3 Model for Hydration Coupled Domain Motion -- 9.3 Molecular Mechanism in Hydration-Coupled Domain Motion -- 9.3.1 Domain Motion Observed in Simulation. 9.3.2 Simultaneous Changes in Conformation and Hydration -- 9.3.3 Hydration Changes in the Hydrophobic Pocket -- 9.3.4 Drying Transition in the Hydrophobic Pocket -- 9.3.5 Hydration Changes in the Hydrophilic Crevice -- 9.3.6 Mechanism of Hydration Regulated Domain Motion -- 9.4 Manipulation of Conformation and Hydration of Proteins in the Crystals -- 9.4.1 Conformational Changes of Protein in Different Molecular Packing -- 9.4.2 Hydration Changes in Different Molecular Packing -- References -- 10 Energy Landscape and Hydration of Proteins -- 10.1 Introduction -- 10.1.1 Protein Conformation Manifold and Energy Landscape -- 10.2 X-Ray Diffraction Imaging -- 10.2.1 Structure Analysis Using X-Ray Diffraction Imaging -- 10.2.2 X-Ray Diffraction Imaging Using X-Ray Laser -- 10.3 Cryogenic Electron Microscopy -- 10.3.1 Classification of Protein Structures -- 10.3.2 Energy Landscape in Protein Motions -- 10.3.3 Prediction of Hydration Structures Using Neural Networks -- 10.4 Future Prospects -- References -- Appendix A -- Appendix B X-Ray Diffraction by a Crystal -- B.1 Thomson Scattering [B1] -- B.2 Interference of X-Rays Emitted by Electrons -- B.3 Diffraction From a Crystal [B3] -- B.4 The Ewald Sphere -- References -- Appendix C The Image Obtained by Electron Microscopy -- C1. Electron Scattering by a Weak-Phase Object [C1, C2] -- C2. Contrast Transfer Function [C1, C2] -- References -- Appendix D The Principle of the Up-Conversion Method -- D.1 Higher-Order Dielectric Polarization -- D.2 Radiation by Nonlinear Dielectric Polarization [D2, D3] -- D.3 The Phase-Matching Condition and Birefringence [D2, D3] -- References -- Appendix E The Symplectic Integrator -- Appendix F The Geometries of the Polar Groups in Amino Acid Residues -- Reference. Appendix G Examples of Force Field Parameters Incorporating Lone-Pair Electrons for Deprotonated Oxygen and Nitrogen Atoms in the sp2-Hybridization -- Reference -- Appendix H Energy Relaxation of Perturbed System -- Reference -- Appendix I Surface Topography of Protein Crystals by Atomic Force Microscopy -- References -- Appendix J The Phase Retrieval Algorithm Used in X-Ray Diffraction Imaging -- References -- Appendix K Derivation of the Formula to Determine Appearance Frequencies of Model Structures in Electron Micrographs -- Reference -- Index. |
| Record Nr. | UNINA-9910506398103321 |
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Nakasako Masayoshi
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| Tokyo, Japan : , : Springer, , [2021] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hydration structures of proteins : atomic details / / Masayoshi Nakasako
| Hydration structures of proteins : atomic details / / Masayoshi Nakasako |
| Autore | Nakasako Masayoshi |
| Pubbl/distr/stampa | Tokyo, Japan : , : Springer, , [2021] |
| Descrizione fisica | 1 online resource (321 pages) |
| Disciplina | 541.372 |
| Collana | Soft and Biological Matter |
| Soggetto topico |
Hydration
Proteins Hydratation |
| ISBN | 4-431-56919-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intro -- Preface -- Acknowledgements -- Contents -- About the Author -- Glossary of Symbols -- 1 Introduction -- 1.1 Water: The Cradle of Life -- 1.2 Structure and Interaction of Water Molecules -- 1.2.1 Structure of Water Molecules -- 1.2.2 Interactions Between Water Molecules -- 1.2.3 Hydrogen Bond Between Water Molecules -- 1.3 Phase Diagram of Water -- 1.3.1 Three Phases of Water -- 1.3.2 Hexagonal Ice and Amorphous Ice -- 1.4 Properties of Liquid Water -- 1.4.1 Unusual Physical Properties -- 1.4.2 Brownian Motion in Liquid Water -- 1.4.3 Structure of Liquid Water -- 1.5 Hydration -- 1.5.1 Solvation -- 1.5.2 Hydration -- 1.5.3 Hydration of Hydrophobic Molecules -- 1.6 Hydration Structures of Proteins -- 1.6.1 Proteins -- 1.6.2 Hydration Structures of Proteins -- 1.7 Scope of This Monograph -- References -- 2 Biophysical Methods to Investigate Hydration Structures of Proteins -- 2.1 Introduction -- 2.2 X-Ray Crystallography at Cryogenic Temperatures -- 2.2.1 Outline -- 2.2.2 Crystallographic Structure Refinement -- 2.2.3 Difference Fourier Map -- 2.2.4 X-Ray Crystallography at Cryogenic Temperatures -- 2.3 Cryogenic Electron Microscopy -- 2.3.1 Outline -- 2.3.2 Specimen Preparation and Image Collection -- 2.3.3 Image Processing and Single-Particle Analysis -- 2.4 Time-Resolved Fluorescence Measurement -- 2.4.1 Outline -- 2.4.2 Up-conversion Method -- 2.5 Molecular Dynamic Simulation -- 2.5.1 Outline -- 2.5.2 Force Field -- References -- 3 Hydration Structures Inside Proteins -- 3.1 Introduction -- 3.2 Water Molecules Inside Proteins -- 3.2.1 Tightly Bound Water Molecules -- 3.2.2 Water Molecules Confined Inside Proteins -- 3.3 Hydration Water Molecules as Glue in Protein Complexes -- 3.3.1 Hydration at the Subunit Interface of a Protein Complex -- 3.3.2 Hydration Sites Conserved in Protein Families.
3.4 Hydration Water Molecules as Lubricant at the Protein Interface -- 3.5 Hydration Water Molecules in the Ligand-Binding Sites -- References -- 4 Hydration Layer Around Proteins -- 4.1 Introduction -- 4.2 Hydration Layer -- 4.2.1 First- and Second-Layer Classes -- 4.2.2 Distance Distribution and Positional Fluctuation -- 4.2.3 Monolayer Hydration -- 4.2.4 Contact Class -- 4.3 Local Patterns in Protein Hydration -- 4.3.1 Patterns on Hydrophilic Surfaces -- 4.3.2 Hydration Patterns on Hydrophobic Surfaces -- 4.3.3 Tetrahedral Hydrogen Bond Geometry of Water Molecules -- 4.4 Hydration Structures in Molecular Dynamics Simulation -- 4.4.1 Computation of Solvent Density -- 4.4.2 Characteristics of Solvent Density -- References -- 5 Structural Characteristics in Local Hydration -- 5.1 Introduction -- 5.2 Empirical Hydration Distribution Around Polar Atoms -- 5.2.1 Construction -- 5.2.2 Distribution Around Polar Protein Atoms -- 5.2.3 Hydration of Aromatic Acceptors -- 5.2.4 Characteristics and Benefits of the Empirical Hydration Distributions -- 5.2.5 Tetrahedral Hydrogen Bond Geometry -- 5.3 Assessment of Force Fields of Polar Protein Atoms -- 5.3.1 Models of Water Molecule Suitable for Simulation -- 5.3.2 Hydration of Deprotonated Polar Atoms in sp2-Hybridization -- 5.3.3 Hydration of Protonated Nitrogen Atoms in sp2- or sp3-Hybridization -- 5.3.4 Hydration of Protonated Oxygen Atoms in sp2- or sp3-Hybridization -- 5.3.5 Molecular Dynamics Simulation of Proteins Using Force Field with Lone-Pair Electrons -- References -- 6 Prediction of Hydration Structures -- 6.1 Introduction -- 6.2 Computation of Probability Distribution of Hydration Water Molecules [19] -- 6.3 Prediction for Soluble Protein [19] -- 6.3.1 On Solvent-Exposed Surfaces and in Cavities -- 6.3.2 At Interface in Protein Complex -- 6.4 Prediction for Membrane Proteins. 6.4.1 For Surfaces of Membrane Proteins -- 6.4.2 For Channels in Transmembrane Regions -- 6.5 Accuracy of Prediction -- 6.6 Comparison of the Prediction with Theory of Liquids -- 6.7 Utilization of Probability Distribution in Structure Analysis -- 6.7.1 Assessment on Hydration Water Sites -- 6.7.2 Probability Distribution-Weighted Electron Density Map [55] -- 6.8 Prediction of Hydration Structures on Hydrophobic Surfaces -- References -- 7 Network of Hydrogen Bonds Around Proteins -- 7.1 Introduction -- 7.2 Network of Hydrogen Bonds -- 7.2.1 Chain Connection of Hydrogen Bonds -- 7.2.2 Percolation Property -- 7.3 Probability of Hydrogen Bond Formation -- 7.4 Network of Hydrogen Bonds in Simulation Trajectory -- 7.5 Influence of Networks of Hydrogen Bonds on Protein Motions -- References -- 8 Dipole-Dipole Interactions in Hydration Layer -- 8.1 Introduction -- 8.2 Orientational Ordering of Hydration Water Molecules -- 8.2.1 Coherent Patterns of Time-Averaged Water Dipoles -- 8.2.2 Solvent Dipole and Network of Hydrogen Bonds -- 8.2.3 Solvent Dipole in Drug Design -- 8.2.4 Poisson-Boltzmann Equation and Orientation Ordering of Water Molecules -- 8.3 Fluorescence from Tryptophan Side Chains Exposed to Solvent -- 8.3.1 Fluorescence from Photo-Excited Tryptophan of Protein -- 8.3.2 Interpretation of Dynamic Stokes Shift -- 8.3.3 Orientation Ordering of Water Molecules Around Tryptophan Side Chains -- 8.3.4 Origin of Dynamic Stokes Shift -- References -- 9 Hydration Structure Changes of Proteins at Work -- 9.1 Introduction -- 9.2 Experimental Evidence on Hydration-Regulated Protein Motion -- 9.2.1 Domain Motion in Glutamate Dehydrogenase -- 9.2.2 Hydration Structure Changes in Domain Motion -- 9.2.3 Model for Hydration Coupled Domain Motion -- 9.3 Molecular Mechanism in Hydration-Coupled Domain Motion -- 9.3.1 Domain Motion Observed in Simulation. 9.3.2 Simultaneous Changes in Conformation and Hydration -- 9.3.3 Hydration Changes in the Hydrophobic Pocket -- 9.3.4 Drying Transition in the Hydrophobic Pocket -- 9.3.5 Hydration Changes in the Hydrophilic Crevice -- 9.3.6 Mechanism of Hydration Regulated Domain Motion -- 9.4 Manipulation of Conformation and Hydration of Proteins in the Crystals -- 9.4.1 Conformational Changes of Protein in Different Molecular Packing -- 9.4.2 Hydration Changes in Different Molecular Packing -- References -- 10 Energy Landscape and Hydration of Proteins -- 10.1 Introduction -- 10.1.1 Protein Conformation Manifold and Energy Landscape -- 10.2 X-Ray Diffraction Imaging -- 10.2.1 Structure Analysis Using X-Ray Diffraction Imaging -- 10.2.2 X-Ray Diffraction Imaging Using X-Ray Laser -- 10.3 Cryogenic Electron Microscopy -- 10.3.1 Classification of Protein Structures -- 10.3.2 Energy Landscape in Protein Motions -- 10.3.3 Prediction of Hydration Structures Using Neural Networks -- 10.4 Future Prospects -- References -- Appendix A -- Appendix B X-Ray Diffraction by a Crystal -- B.1 Thomson Scattering [B1] -- B.2 Interference of X-Rays Emitted by Electrons -- B.3 Diffraction From a Crystal [B3] -- B.4 The Ewald Sphere -- References -- Appendix C The Image Obtained by Electron Microscopy -- C1. Electron Scattering by a Weak-Phase Object [C1, C2] -- C2. Contrast Transfer Function [C1, C2] -- References -- Appendix D The Principle of the Up-Conversion Method -- D.1 Higher-Order Dielectric Polarization -- D.2 Radiation by Nonlinear Dielectric Polarization [D2, D3] -- D.3 The Phase-Matching Condition and Birefringence [D2, D3] -- References -- Appendix E The Symplectic Integrator -- Appendix F The Geometries of the Polar Groups in Amino Acid Residues -- Reference. Appendix G Examples of Force Field Parameters Incorporating Lone-Pair Electrons for Deprotonated Oxygen and Nitrogen Atoms in the sp2-Hybridization -- Reference -- Appendix H Energy Relaxation of Perturbed System -- Reference -- Appendix I Surface Topography of Protein Crystals by Atomic Force Microscopy -- References -- Appendix J The Phase Retrieval Algorithm Used in X-Ray Diffraction Imaging -- References -- Appendix K Derivation of the Formula to Determine Appearance Frequencies of Model Structures in Electron Micrographs -- Reference -- Index. |
| Record Nr. | UNISA-996466852303316 |
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Nakasako Masayoshi
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| Tokyo, Japan : , : Springer, , [2021] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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Hydrolysis in drug and prodrug metabolism : chemistry, biochemistry, and enzymology
| Hydrolysis in drug and prodrug metabolism : chemistry, biochemistry, and enzymology |
| Autore | Testa Bernard |
| Pubbl/distr/stampa | [Place of publication not identified], : Wiley VCH, 2003 |
| Disciplina | 572.79343 |
| Soggetto topico |
Drugs - Metabolism
Xenobiotics - Metabolism Hydrolysis - Effect of drugs on Hydration Enzymes Hydrolysis Pharmaceutical Preparations Xenobiotics Biochemical Processes Chemicals and Drugs Chemical Processes Enzymes and Coenzymes Metabolism Biochemical Phenomena Chemical Phenomena Metabolic Phenomena Phenomena and Processes Pharmacy, Therapeutics, & Pharmacology Animal Biochemistry Health & Biological Sciences Human Anatomy & Physiology |
| ISBN | 3-906390-44-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910144012603321 |
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Testa Bernard
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| [Place of publication not identified], : Wiley VCH, 2003 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Soggetto topico
-
Hydration
(17)
- Hydrolysis (4)
- Animal Biochemistry (3)
- Biochemical Phenomena (3)
- Biochemical Processes (3)