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Handbook of loss prevention engineering [[electronic resource] ] . Volume 1 / / edited by Joel M. Haight
| Handbook of loss prevention engineering [[electronic resource] ] . Volume 1 / / edited by Joel M. Haight |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Weinheim, Germany, : Wiley-VCH Verlag GmbH, c2013 |
| Descrizione fisica | 1 online resource (1148 p.) |
| Disciplina | 620.86 |
| Altri autori (Persone) | HaightJoel M |
| Soggetto topico |
Industrial safety
Human engineering |
| ISBN |
3-527-65064-4
3-527-65067-9 3-527-65066-0 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Handbook of Loss Prevention Engineering; Glossary (Taken in Part from Standard Handbook for Civil Engineers (Ricketts, Loftin, and Merritt, 2003) and OSHA 29 CFR 1926 (OSHA, 2012b)); Contents to Volume 1; Preface; List of Contributors; Part I Engineering Management for Loss Prevention Engineering; 1 Management Systems - Loss Prevention Engineering Programs and Policy; 1.1 Introduction - Understanding the Need for Management Systems; 1.2 Management Systems - Definitions; 1.3 Loss Prevention Engineering - Considerations; 1.4 Management Systems - Loss Prevention Engineering
1.4.1 Leadership Commitment1.4.2 Vision and Objectives; 1.4.3 Resources / Policy / Processes / Procedure / Regulations; 1.4.3.1 Resources; 1.4.3.2 Policy; 1.4.3.3 Regulatory Consideration; 1.4.3.4 Processes; 1.4.3.5 HES Processes Approach and Structure; 1.4.4 Business Planning (HES); 1.4.5 Implementation; 1.4.6 Evaluation of Management System for Improvement; 1.4.7 Periodic Corporation Audit; 1.4.8 Enterprise Audit Plan; 1.4.9 Audits Levels and Continuous Improvement; Appendix 1.A: BCN - NSHE Sample Drug and Alcohol Policy; Appendix 1.B: Behavior-Based Safety Supporting Tool Appendix 1.C: Sample Internal Simple Inspection ChecklistReferences; 2 Resource Allocation and Effectiveness Measures for Loss Prevention; 2.1 Introduction; 2.2 What Is Loss Prevention/Safety and Health Intervention?; 2.3 Historical Perspective of Resource Allocation for Loss Prevention; 2.4 Loss Prevention/Safety and Health Intervention Effectiveness Evaluation; 2.5 Importance of Multiple Factors in Loss Prevention; 2.6 Research Methodology in Resource Allocation for Loss Prevention; 2.7 Experimental Method; 2.8 Analysis and Results; 2.9 Conclusion; References 3 Engineering Systems and Engineering Economics of Loss Prevention3.1 Introduction; 3.2 Cost of Injuries; 3.3 Return on Investment Versus Cost Savings Versus Productivity Savings; 3.4 Engineering Economics; 3.5 Engineering Economic Decision-Making; 3.6 Net Present Value Comparison (Equipment Replacement); 3.6.1 Final Result and Decision; 3.6.2 Accept or Reject Decision for a Simple Investment Based on Rate of Return; 3.7 Payback Period Comparison; 3.8 Financial Considerations of a Loss Prevention Engineering Project; 3.8.1 Project Budget; 3.9 Conclusion; References 4 Safety Management and Culture4.1 What Is Organizational Culture?; 4.2 How Does Culture Form?; 4.3 Why Is It Good Business to Improve Your Company's Culture?; 4.4 Measuring Culture; 4.5 How to Bring About Changes in Culture; References; 5 Leadership and Loss Prevention Engineering: Creating Conditions to Get Beyond Compliance to High Performance; 5.1 Introduction; 5.2 Management Theories; 5.2.1 Scientific Management Theory; 5.2.2 The Link Between Motivation in Individuals and Management Theories; 5.2.3 Motivation Theories Integrated into Management Theories 5.2.3.1 Autonomy for the Individual |
| Record Nr. | UNINA-9910827424703321 |
| Weinheim, Germany, : Wiley-VCH Verlag GmbH, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Journal für praktische Chemie
| Journal für praktische Chemie |
| Pubbl/distr/stampa | Weinheim, Fed. Rep. of Germany, : Wiley-VCH Verlag GmbH, ©1999-©2000 |
| Soggetto topico |
Chemistry
Chemistry, Technical Chimie Chimie industrielle |
| Soggetto genere / forma |
Periodical
periodicals. Periodicals. Périodiques. |
| ISSN | 1521-3897 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti |
Journal für praktische, Chemiker-Zeitung
Practical applications and applied chemistry |
| Record Nr. | UNINA-9910632501003321 |
| Weinheim, Fed. Rep. of Germany, : Wiley-VCH Verlag GmbH, ©1999-©2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Journal für praktische Chemie
| Journal für praktische Chemie |
| Pubbl/distr/stampa | Weinheim, Fed. Rep. of Germany, : Wiley-VCH Verlag GmbH, ©1999-©2000 |
| Soggetto topico |
Chemistry
Chemistry, Technical Chimie Chimie industrielle |
| Soggetto genere / forma |
Periodical
periodicals. Periodicals. Périodiques. |
| ISSN | 1521-3897 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti |
Journal für praktische, Chemiker-Zeitung
Practical applications and applied chemistry |
| Record Nr. | UNISA-996217654103316 |
| Weinheim, Fed. Rep. of Germany, : Wiley-VCH Verlag GmbH, ©1999-©2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Metabolomics in practice [[electronic resource] ] : successful strategies to generate and analyze metabolic data / / edited by Michael La<U+00cc>mmerhofer and Wolfram Weckwerth
| Metabolomics in practice [[electronic resource] ] : successful strategies to generate and analyze metabolic data / / edited by Michael La<U+00cc>mmerhofer and Wolfram Weckwerth |
| Pubbl/distr/stampa | Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 |
| Descrizione fisica | 1 online resource (443 p.) |
| Disciplina | 572.4 |
| Altri autori (Persone) |
La WeckwerthWolfram |
| Soggetto topico |
Metabolism
Metabolism - Research - Methodology |
| ISBN |
3-527-65586-7
1-299-31354-X 3-527-65589-1 3-527-65588-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Metabolomics in Practice; Contents; List of Contributors; Preface; 1 The Sampling and Sample Preparation Problem in Microbial Metabolomics; 1.1 Introduction; 1.2 Microorganisms and Their Properties; 1.3 Sampling Methods; 1.3.1 The Need for Rapid Sampling; 1.3.2 Sampling Systems; 1.4 Quenching; 1.4.1 Quenching Procedures and Their Properties; 1.4.2 Validation of the Quenching Procedure and Minimization of Metabolite Leakage; 1.4.3 Quenching Procedure for Determination of Intracellular Metabolites in the Presence of Extracellular Abundance; 1.4.4 Quenching of Bacteria; 1.5 Metabolite Extraction
1.5.1 Extraction Methods and Their Properties1.5.2 Validation of Extraction Methods for Yeast Metabolomics; 1.6 Application of 13C-Labeled Internal Standards; 1.7 Conclusions; References; 2 Tandem Mass Spectrometry Hyphenated with HPLC and UHPLC for Targeted Metabolomics; 2.1 Introduction; 2.2 LC-MS-Based Targeted Metabolomics; 2.3 Liquid Chromatography; 2.4 Mass Spectrometry; 2.4.1 Ionization Techniques; 2.4.2 Mass Analyzers; 2.5 Sample Preparation; 2.6 Relative and Absolute Quantification; 2.7 Applications; 2.8 Synopsis; References; 3 Uncertainty of Measurement in Quantitative Metabolomics 3.1 Introduction3.1.1 MS-Based Techniques in Metabolomics; 3.1.2 Uncertainty of Measurement in Quantitative Analysis; 3.1.2.1 Definition; 3.1.2.2 Uncertainty Calculation According to the Bottom-Up Approach; 3.2 Uncertainties of Quantitative MS Experiments; 3.2.1 Uncertainties in Sample Preparation; 3.2.1.1 Sampling and Sample Preparation in Metabolite Profiling in Fermentations; 3.2.1.2 Calculation of Sample Preparation Uncertainty for Intracellular Metabolite Quantitation in Yeast: A Practical Example; 3.2.1.3 LC-MS 3.2.2 Uncertainty of Mass Spectrometric Assays (LC-MS and GC-MS Measurements)3.2.2.1 GC-MS; 3.2.2.2 Calculation of Uncertainty for LC-MS Measurements of Cell Extracts: A Practical Example; 3.3 Concluding Remarks; Abbreviations; Acknowledgment; References; 4 Gas Chromatography and Comprehensive Two-Dimensional Gas Chromatography Hyphenated with Mass Spectrometry for Targeted and Nontargeted Metabolomics; 4.1 Introduction and Scope; 4.2 Sample Preparation for GC-Based Metabolite Profiling; 4.3 GC-MS and GC x GC-TOFMS Instrumentation for Metabolomics; 4.4 Data Analysis Strategies and Software 4.5 Illustrative Examples and Concluding RemarksReferences; 5 LC-MS-Based Nontargeted Metabolomics; 5.1 Introduction; 5.2 LC-MS-Based Untargeted Metabolomics; 5.2.1 LC Issues; 5.2.2 Mass Spectrometry; 5.3 Study Design; 5.4 Sample Preparation; 5.5 Analytical Strategies; 5.6 Data Analysis; 5.7 Metabolite Identification; 5.8 Applications; 5.9 Synopsis; References; 6 The Potential of Ultrahigh Resolution MS (FTICR-MS) in Metabolomics; 6.1 Introduction; 6.2 Metabolomics Technologies; 6.3 Principles of FTICR-MS; 6.3.1 Natural Ion Movement Inside an ICR Cell Subjected to Magnetic and Electric Fields 6.3.2 Applied Physical Techniques in FTICR-MS |
| Record Nr. | UNINA-9910141647203321 |
| Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Metabolomics in practice [[electronic resource] ] : successful strategies to generate and analyze metabolic data / / edited by Michael La<U+00cc>mmerhofer and Wolfram Weckwerth
| Metabolomics in practice [[electronic resource] ] : successful strategies to generate and analyze metabolic data / / edited by Michael La<U+00cc>mmerhofer and Wolfram Weckwerth |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 |
| Descrizione fisica | 1 online resource (443 p.) |
| Disciplina | 572.4 |
| Altri autori (Persone) |
La WeckwerthWolfram |
| Soggetto topico |
Metabolism
Metabolism - Research - Methodology |
| ISBN |
3-527-65586-7
1-299-31354-X 3-527-65589-1 3-527-65588-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Metabolomics in Practice; Contents; List of Contributors; Preface; 1 The Sampling and Sample Preparation Problem in Microbial Metabolomics; 1.1 Introduction; 1.2 Microorganisms and Their Properties; 1.3 Sampling Methods; 1.3.1 The Need for Rapid Sampling; 1.3.2 Sampling Systems; 1.4 Quenching; 1.4.1 Quenching Procedures and Their Properties; 1.4.2 Validation of the Quenching Procedure and Minimization of Metabolite Leakage; 1.4.3 Quenching Procedure for Determination of Intracellular Metabolites in the Presence of Extracellular Abundance; 1.4.4 Quenching of Bacteria; 1.5 Metabolite Extraction
1.5.1 Extraction Methods and Their Properties1.5.2 Validation of Extraction Methods for Yeast Metabolomics; 1.6 Application of 13C-Labeled Internal Standards; 1.7 Conclusions; References; 2 Tandem Mass Spectrometry Hyphenated with HPLC and UHPLC for Targeted Metabolomics; 2.1 Introduction; 2.2 LC-MS-Based Targeted Metabolomics; 2.3 Liquid Chromatography; 2.4 Mass Spectrometry; 2.4.1 Ionization Techniques; 2.4.2 Mass Analyzers; 2.5 Sample Preparation; 2.6 Relative and Absolute Quantification; 2.7 Applications; 2.8 Synopsis; References; 3 Uncertainty of Measurement in Quantitative Metabolomics 3.1 Introduction3.1.1 MS-Based Techniques in Metabolomics; 3.1.2 Uncertainty of Measurement in Quantitative Analysis; 3.1.2.1 Definition; 3.1.2.2 Uncertainty Calculation According to the Bottom-Up Approach; 3.2 Uncertainties of Quantitative MS Experiments; 3.2.1 Uncertainties in Sample Preparation; 3.2.1.1 Sampling and Sample Preparation in Metabolite Profiling in Fermentations; 3.2.1.2 Calculation of Sample Preparation Uncertainty for Intracellular Metabolite Quantitation in Yeast: A Practical Example; 3.2.1.3 LC-MS 3.2.2 Uncertainty of Mass Spectrometric Assays (LC-MS and GC-MS Measurements)3.2.2.1 GC-MS; 3.2.2.2 Calculation of Uncertainty for LC-MS Measurements of Cell Extracts: A Practical Example; 3.3 Concluding Remarks; Abbreviations; Acknowledgment; References; 4 Gas Chromatography and Comprehensive Two-Dimensional Gas Chromatography Hyphenated with Mass Spectrometry for Targeted and Nontargeted Metabolomics; 4.1 Introduction and Scope; 4.2 Sample Preparation for GC-Based Metabolite Profiling; 4.3 GC-MS and GC x GC-TOFMS Instrumentation for Metabolomics; 4.4 Data Analysis Strategies and Software 4.5 Illustrative Examples and Concluding RemarksReferences; 5 LC-MS-Based Nontargeted Metabolomics; 5.1 Introduction; 5.2 LC-MS-Based Untargeted Metabolomics; 5.2.1 LC Issues; 5.2.2 Mass Spectrometry; 5.3 Study Design; 5.4 Sample Preparation; 5.5 Analytical Strategies; 5.6 Data Analysis; 5.7 Metabolite Identification; 5.8 Applications; 5.9 Synopsis; References; 6 The Potential of Ultrahigh Resolution MS (FTICR-MS) in Metabolomics; 6.1 Introduction; 6.2 Metabolomics Technologies; 6.3 Principles of FTICR-MS; 6.3.1 Natural Ion Movement Inside an ICR Cell Subjected to Magnetic and Electric Fields 6.3.2 Applied Physical Techniques in FTICR-MS |
| Record Nr. | UNINA-9910813926803321 |
| Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig
| Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag GmbH, c2010 |
| Descrizione fisica | 1 online resource (336 p.) |
| Disciplina | 541.3482011 |
| Altri autori (Persone) | FeigMichael |
| Soggetto topico |
Solvents
Biomolecules |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-47232-1
9786612472329 3-527-62925-4 3-527-62926-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling Solvent Environments: Applications to Simulations of Biomolecules; Contents; Preface; List of Contributors; 1: Biomolecular Solvation in Theory and Experiment; 1.1 Introduction; 1.2 Theoretical Views of Solvation; 1.2.1 Equilibrium Thermodynamics of Solvation; 1.2.2 Radial Distribution Functions; 1.2.3 Integral Equation Formalisms; 1.2.4 Kirkwood-Buff Theory; 1.2.5 Kinetic Effects of Solvation; 1.3 Computer Simulation Methods in the Study of Solvation; 1.3.1 Molecular Dynamics and Monte Carlo Simulations; 1.3.2 Water Models; 1.3.3 Solvent Structure and Dynamics from Simulations
1.3.4 Free Energy Simulations1.4 Experimental Methods in the Study of Solvation; 1.4.1 X-Ray/Neutron Diffraction and Scattering; 1.4.2 Nuclear Magnetic Relaxation; 1.4.3 Optical Spectroscopy; 1.4.4 Dielectric Dispersion; 1.5 Hydration of Proteins; 1.5.1 Protein Folding and Peptide Conformations in Aqueous Solvent; 1.5.2 Molecular Properties of Water Near Protein Surfaces; 1.5.3 Water Molecules at Protein-Ligand and Protein-Protein Interfaces; 1.6 Hydration of Nucleic acids; 1.7 Non-Aqueous Solvation; 1.7.1 Alcohols; 1.7.2 Urea; 1.7.3 Glycerol; 1.8 Summary; References 2: Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids2.1 Introduction; 2.2 Outline of the RISM and 3D-RISM theories; 2.3 Partial Molar Volume of Proteins; 2.4 Detecting Water Molecules Trapped Inside Protein; 2.5 Selective Ion Binding by Protein; 2.6 Water Molecules Identified as a Substrate for Enzymatic Hydrolysis of Cellulose; 2.7 CO Escape Pathway in Myoglobin; 2.7.1 Effect of Protein Structure on the Distribution of Xe; 2.7.2 Partial Molar Volume Change Through the CO Escape Pathway of Myoglobin; 2.8 Perspective; References 3: Developing Force Fields From the Microscopic Structure of Solutions: The Kirkwood-Buff Approach3.1 Introduction; 3.2 Biomolecular Force Fields; 3.3 Examples of Problems with Current Force Fields; 3.4 Kirkwood-Buff Theory; 3.5 Applications of Kirkwood-Buff Theory; 3.6 The General KBFF Approach; 3.7 Technical Aspects of the KBFF Approach; 3.8 Results for Urea and Water Binary Solutions; 3.9 Preferential Interactions of Urea; 3.10 Conclusions and Future Directions; Acknowledgments; References; 4: Osmolyte Influence on Protein Stability: Perspectives of Theory and Experiment; 4.1 Introduction 4.2 Denaturing Osmolytes4.2.1 Does Urea Weaken Water Structure?; 4.2.2 Effect of Urea on Hydrophobic Interactions; 4.2.3 Direct Interaction of Urea with Proteins; 4.3 Protecting Osmolytes; 4.3.1 Do Protecting Osmolytes Increase Water Structure?; 4.3.2 Effect of Protecting Osmolytes on Hydrophobic Interactions; 4.4 Mixed Osmolytes; 4.5 Conclusions; Acknowledgments; References; 5: Modeling Aqueous Solvent Effects through Local Properties of Water; 5.1 The Role of Water and Cosolutes on Macromolecular Thermodynamics; 5.2 Forces Induced by Water in Aqueous Solutions 5.2.1 Interactions in Water-Accessible Regions of Proteins |
| Record Nr. | UNINA-9910139545203321 |
| Weinheim, : Wiley-VCH Verlag GmbH, c2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig
| Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag GmbH, c2010 |
| Descrizione fisica | 1 online resource (336 p.) |
| Disciplina | 541.3482011 |
| Altri autori (Persone) | FeigMichael |
| Soggetto topico |
Solvents
Biomolecules |
| ISBN |
1-282-47232-1
9786612472329 3-527-62925-4 3-527-62926-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling Solvent Environments: Applications to Simulations of Biomolecules; Contents; Preface; List of Contributors; 1: Biomolecular Solvation in Theory and Experiment; 1.1 Introduction; 1.2 Theoretical Views of Solvation; 1.2.1 Equilibrium Thermodynamics of Solvation; 1.2.2 Radial Distribution Functions; 1.2.3 Integral Equation Formalisms; 1.2.4 Kirkwood-Buff Theory; 1.2.5 Kinetic Effects of Solvation; 1.3 Computer Simulation Methods in the Study of Solvation; 1.3.1 Molecular Dynamics and Monte Carlo Simulations; 1.3.2 Water Models; 1.3.3 Solvent Structure and Dynamics from Simulations
1.3.4 Free Energy Simulations1.4 Experimental Methods in the Study of Solvation; 1.4.1 X-Ray/Neutron Diffraction and Scattering; 1.4.2 Nuclear Magnetic Relaxation; 1.4.3 Optical Spectroscopy; 1.4.4 Dielectric Dispersion; 1.5 Hydration of Proteins; 1.5.1 Protein Folding and Peptide Conformations in Aqueous Solvent; 1.5.2 Molecular Properties of Water Near Protein Surfaces; 1.5.3 Water Molecules at Protein-Ligand and Protein-Protein Interfaces; 1.6 Hydration of Nucleic acids; 1.7 Non-Aqueous Solvation; 1.7.1 Alcohols; 1.7.2 Urea; 1.7.3 Glycerol; 1.8 Summary; References 2: Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids2.1 Introduction; 2.2 Outline of the RISM and 3D-RISM theories; 2.3 Partial Molar Volume of Proteins; 2.4 Detecting Water Molecules Trapped Inside Protein; 2.5 Selective Ion Binding by Protein; 2.6 Water Molecules Identified as a Substrate for Enzymatic Hydrolysis of Cellulose; 2.7 CO Escape Pathway in Myoglobin; 2.7.1 Effect of Protein Structure on the Distribution of Xe; 2.7.2 Partial Molar Volume Change Through the CO Escape Pathway of Myoglobin; 2.8 Perspective; References 3: Developing Force Fields From the Microscopic Structure of Solutions: The Kirkwood-Buff Approach3.1 Introduction; 3.2 Biomolecular Force Fields; 3.3 Examples of Problems with Current Force Fields; 3.4 Kirkwood-Buff Theory; 3.5 Applications of Kirkwood-Buff Theory; 3.6 The General KBFF Approach; 3.7 Technical Aspects of the KBFF Approach; 3.8 Results for Urea and Water Binary Solutions; 3.9 Preferential Interactions of Urea; 3.10 Conclusions and Future Directions; Acknowledgments; References; 4: Osmolyte Influence on Protein Stability: Perspectives of Theory and Experiment; 4.1 Introduction 4.2 Denaturing Osmolytes4.2.1 Does Urea Weaken Water Structure?; 4.2.2 Effect of Urea on Hydrophobic Interactions; 4.2.3 Direct Interaction of Urea with Proteins; 4.3 Protecting Osmolytes; 4.3.1 Do Protecting Osmolytes Increase Water Structure?; 4.3.2 Effect of Protecting Osmolytes on Hydrophobic Interactions; 4.4 Mixed Osmolytes; 4.5 Conclusions; Acknowledgments; References; 5: Modeling Aqueous Solvent Effects through Local Properties of Water; 5.1 The Role of Water and Cosolutes on Macromolecular Thermodynamics; 5.2 Forces Induced by Water in Aqueous Solutions 5.2.1 Interactions in Water-Accessible Regions of Proteins |
| Record Nr. | UNINA-9910830153503321 |
| Weinheim, : Wiley-VCH Verlag GmbH, c2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig
| Modeling solvent environments [[electronic resource] ] : applications to simulations of biomolecules / / edited by Michael Feig |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag GmbH, c2010 |
| Descrizione fisica | 1 online resource (336 p.) |
| Disciplina | 541.3482011 |
| Altri autori (Persone) | FeigMichael |
| Soggetto topico |
Solvents
Biomolecules |
| ISBN |
1-282-47232-1
9786612472329 3-527-62925-4 3-527-62926-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling Solvent Environments: Applications to Simulations of Biomolecules; Contents; Preface; List of Contributors; 1: Biomolecular Solvation in Theory and Experiment; 1.1 Introduction; 1.2 Theoretical Views of Solvation; 1.2.1 Equilibrium Thermodynamics of Solvation; 1.2.2 Radial Distribution Functions; 1.2.3 Integral Equation Formalisms; 1.2.4 Kirkwood-Buff Theory; 1.2.5 Kinetic Effects of Solvation; 1.3 Computer Simulation Methods in the Study of Solvation; 1.3.1 Molecular Dynamics and Monte Carlo Simulations; 1.3.2 Water Models; 1.3.3 Solvent Structure and Dynamics from Simulations
1.3.4 Free Energy Simulations1.4 Experimental Methods in the Study of Solvation; 1.4.1 X-Ray/Neutron Diffraction and Scattering; 1.4.2 Nuclear Magnetic Relaxation; 1.4.3 Optical Spectroscopy; 1.4.4 Dielectric Dispersion; 1.5 Hydration of Proteins; 1.5.1 Protein Folding and Peptide Conformations in Aqueous Solvent; 1.5.2 Molecular Properties of Water Near Protein Surfaces; 1.5.3 Water Molecules at Protein-Ligand and Protein-Protein Interfaces; 1.6 Hydration of Nucleic acids; 1.7 Non-Aqueous Solvation; 1.7.1 Alcohols; 1.7.2 Urea; 1.7.3 Glycerol; 1.8 Summary; References 2: Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids2.1 Introduction; 2.2 Outline of the RISM and 3D-RISM theories; 2.3 Partial Molar Volume of Proteins; 2.4 Detecting Water Molecules Trapped Inside Protein; 2.5 Selective Ion Binding by Protein; 2.6 Water Molecules Identified as a Substrate for Enzymatic Hydrolysis of Cellulose; 2.7 CO Escape Pathway in Myoglobin; 2.7.1 Effect of Protein Structure on the Distribution of Xe; 2.7.2 Partial Molar Volume Change Through the CO Escape Pathway of Myoglobin; 2.8 Perspective; References 3: Developing Force Fields From the Microscopic Structure of Solutions: The Kirkwood-Buff Approach3.1 Introduction; 3.2 Biomolecular Force Fields; 3.3 Examples of Problems with Current Force Fields; 3.4 Kirkwood-Buff Theory; 3.5 Applications of Kirkwood-Buff Theory; 3.6 The General KBFF Approach; 3.7 Technical Aspects of the KBFF Approach; 3.8 Results for Urea and Water Binary Solutions; 3.9 Preferential Interactions of Urea; 3.10 Conclusions and Future Directions; Acknowledgments; References; 4: Osmolyte Influence on Protein Stability: Perspectives of Theory and Experiment; 4.1 Introduction 4.2 Denaturing Osmolytes4.2.1 Does Urea Weaken Water Structure?; 4.2.2 Effect of Urea on Hydrophobic Interactions; 4.2.3 Direct Interaction of Urea with Proteins; 4.3 Protecting Osmolytes; 4.3.1 Do Protecting Osmolytes Increase Water Structure?; 4.3.2 Effect of Protecting Osmolytes on Hydrophobic Interactions; 4.4 Mixed Osmolytes; 4.5 Conclusions; Acknowledgments; References; 5: Modeling Aqueous Solvent Effects through Local Properties of Water; 5.1 The Role of Water and Cosolutes on Macromolecular Thermodynamics; 5.2 Forces Induced by Water in Aqueous Solutions 5.2.1 Interactions in Water-Accessible Regions of Proteins |
| Record Nr. | UNINA-9910841898003321 |
| Weinheim, : Wiley-VCH Verlag GmbH, c2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
More dead ends and detours [[electronic resource]] : en route to successful total synthesis / / Miguel A. Sierra, Maria C. de la Torre, and Fernando P. Cossio
| More dead ends and detours [[electronic resource]] : en route to successful total synthesis / / Miguel A. Sierra, Maria C. de la Torre, and Fernando P. Cossio |
| Autore | Sierra Miguel A |
| Pubbl/distr/stampa | Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 |
| Descrizione fisica | 1 online resource (xxi, 266 p.) : ill |
| Disciplina | 547.2 |
| Altri autori (Persone) |
TorreMaria C. de la
CossioFernando P |
| Soggetto topico | Organic compounds - Synthesis |
| ISBN |
3-527-65464-X
3-527-65465-8 3-527-65462-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910795977103321 |
Sierra Miguel A
|
||
| Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
More dead ends and detours [[electronic resource]] : en route to successful total synthesis / / Miguel A. Sierra, Maria C. de la Torre, and Fernando P. Cossio
| More dead ends and detours [[electronic resource]] : en route to successful total synthesis / / Miguel A. Sierra, Maria C. de la Torre, and Fernando P. Cossio |
| Autore | Sierra Miguel A |
| Pubbl/distr/stampa | Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 |
| Descrizione fisica | 1 online resource (xxi, 266 p.) : ill |
| Disciplina | 547.2 |
| Altri autori (Persone) |
TorreMaria C. de la
CossioFernando P |
| Soggetto topico | Organic compounds - Synthesis |
| ISBN |
3-527-65464-X
3-527-65465-8 3-527-65462-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910819641003321 |
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Sierra Miguel A
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| Weinheim an der Bergstrasse, Germany, : Wiley-VCH Verlag GmbH, c2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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