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Book
1 online resource (301 p.) : ill. (some col.)
"A compilation of wonderful tributes to the late Ahmed Zewail (1946-2016), considered the 'Father of Femtochemistry', a long-standing icon in the field of physical chemistry, and the father of ultrafast electron-based methods. The book contains testimonies by friends and relatives of Zewail and by outstanding scientists from around the world who worked or have been affiliated with the Nobel prizewinning professor. Each contribution describes the author's own unique experience and personal relationship with Zewail, and includes details of his scientific achievements and the stories around them. Personal and Scientific Reminiscences collects accounts from the most important individuals in the physical and chemical sciences to give us a unique insight into the world and work of one of the great scientists of our time."--Publisher's website.
Book
x, 331 pages : illustrations ; 25 cm
  • Preface ix 1 From the Onset to the First Large-Scale Industrial Processes 1 1.1 Origin of the Catalytic Era 1 1.2 Berzelius and the Affinity Theory of Catalysis 4 1.3 Discovery of the Occurrence of Catalytic Processes in Living Systems in the Nineteenth Century 6 1.4 Kinetic Interpretation of Catalytic Processes in Solutions: The Birth of Homogeneous Catalysis 8 1.5 Onset of Heterogeneous Catalysis 18 1.6 First Large-Scale Industrial Processes Based on Heterogeneous Catalysts 26 1.6.1 Sulfuric Acid Synthesis 26 1.6.2 Ammonia Problem 29 1.6.3 Ammonia Oxidation Process 32 1.6.4 Ammonia Synthesis 33 1.7 Fischer Tropsch Catalytic Process 40 1.8 Methanol Synthesis 44 1.9 Acetylene Production and Utilization 46 1.10 Anthraquinone Process for Hydrogen Peroxide Production 47 References 49 2 Historical Development of Theories of Catalysis 59 2.1 Heterogeneous Catalysis 59 2.2 Chemical Kinetics and the Mechanisms of Catalysis 62 2.3 Electronic Theory of Catalysis: Active Sites 72 References 76 3 Catalytic Processes Associated with Hydrocarbons and the Petroleum Industry 83 3.1 Petroleum and Polymer Eras 83 3.2 Catalytic Cracking, Isomerization, and Alkylation of Petroleum Fractions 84 3.3 Reforming Catalysts 91 3.4 Hydrodesulfurization (HDS) Processes 93 3.5 Hydrocarbon Hydrogenation Reactions with Heterogeneous Catalysts 94 3.6 Olefin Polymerization: Ziegler Natta, Metallocenes, and Phillips Catalysts 98 3.7 Selective Oxidation Reactions 109 3.7.1 Alkane Oxidation 109 3.7.2 Olefin Oxidation 110 3.7.3 Aromatic Compounds Oxidation 111 3.8 Ammoximation and Oxychlorination of Olefins 113 3.9 Ethylbenzene and Styrene Catalytic Synthesis 117 3.10 Heterogeneous Metathesis 118 3.11 Catalytic Synthesis of Carbon Nanotubes and Graphene from Hydrocarbon Feedstocks 119 References 121 4 Surface Science Methods in the Second Half of the Twentieth Century 131 4.1 Real Dispersed Catalysts versus Single Crystals: A Decreasing Gap 131 4.2 Physical Methods for the Study of Dispersed Systems and Real Catalysts 132 4.3 Surface Science of Single-Crystal Faces and of Well-defined Systems 139 References 147 5 Development of Homogeneous Catalysis and Organocatalysis 155 5.1 Introductory Remarks 155 5.2 Homogeneous Acid and Bases as Catalysts: G. Olah Contribution 156 5.3 Organometallic Catalysts 161 5.4 Asymmetric Epoxidation Catalysts 175 5.5 Olefin Oligomerization Catalysts 179 5.6 Organometallic Metathesis 180 5.7 Cross-Coupling Reactions 186 5.8 Pd(II)-Based Complexes and Oxidation of Methane to Methanol 190 5.9 Non-transition Metal Catalysis, Organocatalysis, and Organo-Organometallic Catalysis Combination 191 5.9.1 Metal-Free Hydrogen Activation and Hydrogenation 192 5.9.2 Amino Catalysis 193 5.10 Bio-inspired Homogeneous Catalysts 194 References 195 6 Material Science and Catalysis Design 205 6.1 Metallic Catalysts 205 6.2 Oxides and Mixed Oxides 208 6.2.1 SiO2 and SiO2-Based Catalysts and Processes 209 6.2.2 Al2O3 and Al2O3-Based Catalysts and Processes 211 6.2.3 SiO2 Al2O3 and SiO2 Al2O3-Based Catalysts and Processes 211 6.2.4 MgO and MgO-Based Catalysts and Processes 212 6.2.5 ZrO2 and ZrO2-Based Catalysts and Processes 212 6.3 Design of Catalysts with Shape and Transition-State Selectivity 213 6.4 Zeolites and Zeolitic Materials: Historical Details 214 6.5 Zeolites and Zeolitic Materials Structure 218 6.6 Shape-Selective Reactions Catalyzed by Zeolites and Zeolitic Materials 221 6.6.1 Alkanes- and Alkene-Cracking and Isomerization 222 6.6.2 Aromatic Ring Positional Isomerizations 223 6.6.3 Synthesis of Ethyl Benzene, Cumene, and Alkylation of Aromatic Molecules 224 6.6.4 Friedel Crafts Acylation of Aromatic Molecules 225 6.6.5 Toluene Alkylation with Methanol 225 6.6.6 Asaki Process for Cyclohexanol Synthesis 226 6.6.7 Methanol-to-Olefins (MTO) Process 226 6.6.8 Nitto Process 227 6.6.9 Butylamine Synthesis 227 6.6.10 Beckman Rearrangements on Silicalite Catalyst 227 6.6.11 Partial Oxidation Reactions Using Titanium Silicalite 227 6.6.12 Nylon-6 Synthesis: The Role of Zeolitic Catalysts 229 6.6.13 Pharmaceutical Product Synthesis 229 6.7 Organic Inorganic Hybrid Zeolitic Materials and Inorganic Microporous Solids 230 6.7.1 Organic Inorganic Hybrid Zeolitic Materials 230 6.7.2 ETS-10: A Microporous Material Containing Monodimensional TiO2 Chains 231 6.7.3 Hydrotalcites: Microporous Solids with Exchangeable Anions 232 6.8 Microporous Polymers and Metal Organic Frameworks (MOFs) 232 6.8.1 Microporous Polymers 232 6.8.2 Metal organic Frameworks 234 References 235 7 Photocatalysis 243 7.1 Photochemistry and Photocatalysis: Interwoven Branches of Science 243 7.2 Photochemistry Onset 245 7.3 Physical Methods in Photochemistry 249 7.4 Heterogeneous and Homogeneous Photocatalysis 251 7.5 Natural Photosynthesis as Model of Photocatalysis 253 7.6 Water Splitting, CO2 Reduction, and Pollutant Degradation: The Most Investigated Artificial Photocatalytic Processes 256 7.6.1 Water Splitting 257 7.6.2 CO2 Photoreduction 261 7.6.3 Photocatalysis in Environmental Protection 263 References 264 8 Enzymatic Catalysis 269 8.1 Early History of Enzymes 269 8.2 Proteins and Their Role in Enzymatic Catalysis 273 8.3 Enzymes/Coenzymes Structure and Catalytic Activity 284 8.4 Mechanism of Enzyme Catalysis 288 8.5 Biocatalysis 294 References 295 9 Miscellanea 299 9.1 Heterogeneous and Homogeneous Catalysis in Prebiotic Chemistry 299 9.2 Opportunities for Catalysis in the Twenty-First Century and the Green Chemistry 312 References 317 Index 321.
  • (source: Nielsen Book Data)9781119181262 20170612
This book gradually brings the reader, through illustrations of the most crucial discoveries, into the modern world of chemical catalysis. Readers and experts will better understand the enormous influence that catalysis has given to the development of modern societies. Highlights the field's onset up to its modern days, covering the life and achievements of luminaries of the catalytic era Appeals to general audience in interpretation and analysis, but preserves the precision and clarity of a scientific approach Fills the gap in publications that cover the history of specific catalytic processes.
(source: Nielsen Book Data)9781119181262 20170612
Science Library (Li and Ma)
Book
xxvi, 320 pages : illustrations (some color) ; 24 cm
The UK Catalysis Hub is a consortium of universities working together on fundamental and applied research to find out how catalysts work and to improve their effectiveness. The contribution of catalysis to manufacturing contributes to almost 40% of global GDP, making development and innovation within the field integral to industry.Modern Developments in Catalysis provides a review of current research and practise on catalysis, focussing on five main themes: catalysis design, environmental catalysis, catalysis and energy, chemical transformation and biocatalysis and biotransformations. Topics range from complex reactions to the intricacies of catalyst preparation for supported nanoparticles, while chapters illustrate the challenges facing catalytic science and the directions in which the field is developing. Edited by leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry - it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, improving and increasing the rate of catalytic reactions in science and industry.
(source: Nielsen Book Data)9781786341211 20170213
Science Library (Li and Ma)
Book
1 online resource.
  • Preface to the Second Edition xv Preface to the First Edition xvii 1 Introductory Concepts 1 1.1 Introduction 1 1.2 The Excitement and Relevance of Nuclear Chemistry 2 1.3 The Atom 3 1.4 Atomic Processes 4 1.5 The Nucleus: Nomenclature 7 1.6 Properties of the Nucleus 8 1.7 Survey of Nuclear Decay Types 9 1.8 Modern Physical Concepts Needed in Nuclear Chemistry 12 Bibliography 21 2 Nuclear Properties 25 2.1 Nuclear Masses 25 2.2 Terminology 28 2.3 Binding Energy Per Nucleon 29 2.4 Separation Energy Systematics 31 2.5 Abundance Systematics 32 2.6 Semiempirical Mass Equation 33 2.7 Nuclear Sizes and Shapes 39 2.8 Quantum Mechanical Properties 43 2.9 Electric and Magnetic Moments 45 Problems 51 Bibliography 55 3 Radioactive Decay Kinetics 57 3.1 Basic Decay Equations 57 3.2 Mixture of Two Independently Decaying Radionuclides 65 3.3 Radioactive Decay Equilibrium 66 3.4 Branching Decay 76 3.5 Radiation Dosage 77 3.6 Natural Radioactivity 79 3.7 Radionuclide Dating 84 Problems 90 Bibliography 92 4 Nuclear Meddicine 93 4.1 Introduction 93 4.2 Radiopharmaceuticals 94 4.3 Imaging 96 4.4 99Tcm 98 4.5 PET 99 4.6 Other imaging techniques 103 4.7 Some Random Observations about the Physics of Imaging 104 4.8 Therapy 108 Problems 110 Bibliography 112 5 Particle Physics and the Nuclear Force 113 5.1 Particle Physics 113 5.2 The Nuclear Force 117 5.3 Characteristics of the Strong Force 119 5.4 Charge Independence of Nuclear Forces 120 Problems 124 Bibliography 124 6 Nuclear Structure 125 6.1 Introduction 125 6.2 Nuclear Potentials 127 6.3 Schematic Shell Model 129 6.4 Independent Particle Model 141 6.5 Collective Model 143 6.6 Nilsson Model 149 6.7 Fermi Gas Model 152 Problems 161 Bibliography 164 7 -Decay 167 7.1 Introduction 167 7.2 Energetics of Decay 169 7.3 Theory of Decay 173 7.4 Hindrance Factors 182 7.5 Heavy Particle Radioactivity 183 7.6 Proton Radioactivity 185 Problems 186 Bibliography 188 8 -Decay 191 8.1 Introduction 191 8.2 Neutrino Hypothesis 192 8.3 Derivation of the Spectral Shape 196 8.4 Kurie Plots 199 8.5 Decay Rate Constant 200 8.6 Electron Capture Decay 206 8.7 Parity Nonconservation 207 8.8 Neutrinos Again 208 8.9 -Delayed Radioactivities 209 8.10 Double Decay 211 Problems 213 Bibliography 214 9 -Ray Decay 217 9.1 Introduction 217 9.2 Energetics of -Ray Decay 218 9.3 Classification of Decay Types 220 9.4 Electromagnetic Transition Rates 223 9.5 Internal Conversion 229 9.6 Angular Correlations 232 9.7 Mossbauer Effect 238 Problems 244 Bibliography 245 10 Nuclear Reactions 247 10.1 Introduction 247 10.2 Energetics of Nuclear Reactions 248 10.3 Reaction Types and Mechanisms 252 10.4 Nuclear Reaction Cross Sections 253 10.5 Reaction Observables 264 10.6 Rutherford Scattering 264 10.7 Elastic (Diffractive) Scattering 268 10.8 Aside on the Optical Model 270 10.9 Direct Reactions 271 10.10 Compound Nuclear Reactions 273 10.11 Photonuclear Reactions 279 10.12 Heavy-Ion Reactions 281 10.13 High-Energy Nuclear Reactions 291 Problems 298 Bibliography 302 11 Fission 305 11.1 Introduction 305 11.2 Probability of Fission 308 11.3 Dynamical Properties of Fission Fragments 323 11.4 Fission Product Distributions 327 11.5 Excitation Energy of Fission Fragments 334 Problems 337 Bibliography 338 12 Nuclear Astrophysics 339 12.1 Introduction 339 12.2 Elemental and Isotopic Abundances 340 12.3 Primordial Nucleosynthesis 343 12.4 Thermonuclear Reaction Rates 351 12.5 Stellar Nucleosynthesis 353 12.6 Solar Neutrino Problem 366 12.7 Synthesis of Li, Be, and B 373 Problems 375 Bibliography 376 13 Reactors and Accelerators 379 13.1 Introduction 379 13.2 Nuclear Reactors 380 13.3 Neutron Sources 391 13.4 Neutron Generators 392 13.5 Accelerators 393 13.6 Charged-Particle Beam Transport and Analysis 410 13.7 Radioactive Ion Beams 415 13.8 Nuclear Weapons 421 Problems 425 Bibliography 427 14 The Transuranium Elements 429 14.1 Introduction 429 14.2 Limits of Stability 429 14.3 Element Synthesis 434 14.4 History of Transuranium Element Discovery 437 14.5 Superheavy Elements 449 14.6 Chemistry of the Transuranium Elements 452 14.7 Environmental Chemistry of the Transuranium Elements 461 Problems 468 Bibliography 469 15 Nuclear Reactor Chemistry 473 15.1 Introduction 473 15.2 Fission Product Chemistry 475 15.3 Radiochemistry of Uranium 478 15.4 The Nuclear Fuel Cycle: The Front End 480 15.5 The Nuclear Fuel Cycle: The Back End 488 15.6 Radioactive Waste Disposal 493 15.7 Chemistry of Operating Reactors 504 Problems 506 Bibliography 507 16 Interaction of Radiation with Matter 509 16.1 Introduction 509 16.2 Heavy Charged Particles 512 16.3 Electrons 526 16.4 Electromagnetic Radiation 531 16.5 Neutrons 540 16.6 Radiation Exposure and Dosimetry 544 Problems 548 Bibliography 550 17 Radiation Detectors 553 17.1 Introduction 553 17.2 Detectors Based on Collecting Ionization 556 17.3 Scintillation Detectors 578 17.4 Nuclear Track Detectors 584 17.5 Neutron Detectors 585 17.6 Nuclear Electronics and Data Collection 587 17.7 Nuclear Statistics 589 Problems 599 Bibliography 600 18 Nuclear Analytical Methods 603 18.1 Introduction 603 18.2 Activation Analysis 603 18.3 PIXE 612 18.4 Rutherford Backscattering 615 18.5 Accelerator Mass Spectrometry (AMS) 619 18.6 Other Mass Spectrometric Techniques 620 Problems 621 Bibliography 623 19 Radiochemical Techniques 625 19.1 Introduction 625 19.2 Unique Aspects of Radiochemistry 626 19.3 Availability of Radioactive Material 630 19.4 Targetry 632 19.5 Measuring Beam Intensity and Fluxes 637 19.6 Recoils, Evaporation Residues, and Heavy Residues 639 19.7 Radiochemical Separation Techniques 644 19.8 Low-Level Measurement Techniques 653 Problems 659 Bibliography 660 20 Nuclear Forensics 663 20.1 Introduction 663 20.2 Chronometry 670 20.3 Nuclear Weapons and Their Debris 672 20.4 Deducing Sources and Routes of Transmission 678 Problems 680 Bibliography 681 Appendix A: Fundamental Constants and Conversion Factors 683 Appendix B: Nuclear Wallet Cards 687 Appendix C: Periodic Table of the Elements 711 Appendix D: Alphabetical List of the Elements 713 Appendix E: Elements of Quantum Mechanics 715 Index 737.
  • (source: Nielsen Book Data)9780470906736 20170424
Written by established experts in the field, this book features in-depth discussions of proven scientific principles, current trends, and applications of nuclear chemistry to the sciences and engineering. Provides up-to-date coverage of the latest research and examines the theoretical and practical aspects of nuclear and radiochemistry Presents the basic physical principles of nuclear and radiochemistry in a succinct fashion, requiring no basic knowledge of quantum mechanics Adds discussion of math tools and simulations to demonstrate various phenomena, new chapters on Nuclear Medicine, Nuclear Forensics and Particle Physics, and updates to all other chapters Includes additional solved problems to help students and a solutions manual for all end of chapter problems for instructors Reviews of 1st edition: "...an authoritative, comprehensive but succinct, state-of-the-art textbook ..." (The Chemical Educator) and "...an excellent resource for libraries and laboratories supporting programs requiring familiarity with nuclear processes ..." (CHOICE).
(source: Nielsen Book Data)9780470906736 20170424
Book
1 online resource.
This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Huckel to ab initio levels of theory. Most of the content describes the authors' approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
(source: Nielsen Book Data)9783319498270 20170502
EBSCOhost Access limited to 1 user
Book
1 online resource () : illustrations.
  • Theory of Sonochemistry.- Advances in Green Organic Sonochemistry.- Nanostructured Materials Synthesis Using Ultrasound.- Synthesis of Photoactive Materials by Sonication: Application in Photocatalysis and Solar Cells.- The Role of Ultrasound on Advanced Oxidation Processes.- Effects of Ultrasonic Disintegration of Excess Sewage Sludge.- Combined Microwaves/Ultrasound, a Hybrid Technology.- Ultrasound in Combination with Ionic Liquids: Studied Applications and Perspectives.- Synergy of Microfluidics and Ultrasound.- Sonochemical Reactors.
  • (source: Nielsen Book Data)9783319542706 20170515
The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.
(source: Nielsen Book Data)9783319542706 20170515
EBSCOhost Access limited to 1 user
Book
1 online resource
This volume of Advances in Chemical Physics is dedicated, by the contributors, to Moshe Shapiro, formerly Canada Research Chair in Quantum Control in the Department of Chemistry at the University of British Columbia and Jacques Mimran Professor of Chemical Physics at the Weizmann Institute, who passed away on December 3, 2013. It focuses primarily on the interaction of light with molecules, one of Moshe's longstanding scientific loves. However, the wide range of topics covered in this volume constitutes but a small part of Moshe's vast range of scientific interests, which are well documented in over 300 research publications and two books.
Book
1 online resource (xi, 554 pages).
  • Contributors to Volume 161 ix Preface to the Series xi Structural Analysis by X-ray Intensity Angular Cross Correlations 1 Ruslan P. Kurta, Massimo Altarelli, and Ivan A. Vartanyants Spin Relaxation in Phase Space 41 Yuri P. Kalmykov, William T. Coffey, and Serguey V. Titov Diffusion in Crowded Solutions 277 George D. J. Phillies Distribution Function Approach to the Stability of Fluid Phases 359 John J. Kozak, Jaroslaw Piasecki, and Piotr Szymczak Coarse-Graining with the Relative Entropy 395 M. Scott Shell Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension 443 Wen-Sheng Xu, Jack F. Douglas, and Karl F. Freed Polyelectrolyte Complexation 499 Samanvaya Srivastava and Matthew V. Tirrell Index 545.
  • (source: Nielsen Book Data)9781119290940 20170313
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This is the only series of volumes available that presents the cutting edge of research in chemical physics. Includes contributions from experts in this field of research. Contains a representative cross-section of research that questions established thinking on chemical solutions Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.
(source: Nielsen Book Data)9781119290940 20170313
Book
1 online resource (xvi, 409 pages) : illustrations
  • Some Basic Remarks
  • Part I Deterministic Methods
  • Numerical Differentiation
  • Numerical Integration
  • The KEPLER Problem
  • Ordinary Differential Equations
  • Initial Value Problems
  • The Double Pendulum
  • Molecular Dynamics
  • Numerics of Ordinary Differential Equations
  • Boundary Value Problems
  • The One-Dimensional Stationary Heat Equation
  • The One-Dimensional Stationary SCHRÖDINGER Equation
  • Partial Differential Equations
  • Part II Stochastic Methods
  • Pseudo Random Number Generators
  • Random Sampling Methods
  • A Brief Introduction to Monte-Carlo Methods
  • The ISING Model
  • Some Basics of Stochastic Processes
  • The Random Walk and Diffusion Theory
  • MARKOV-Chain Monte Carlo and the POTTS Model
  • Data Analysis
  • Stochastic Optimization
  • Appendix: The Two-Body Problem
  • Solving Non-Linear Equations. The NEWTON Method
  • Numerical Solution of Systems of Equations
  • Fast Fourier Transform
  • Basics of Probability Theory
  • Phase Transitions
  • Fractional Integrals and Derivatives in 1D
  • Least Squares Fit
  • Deterministic Optimization.
This new edition is a concise introduction to the basic methods of computational physics. Readers will discover the benefits of numerical methods for solving complex mathematical problems and for the direct simulation of physical processes. The book is divided into two main parts: Deterministic methods and stochastic methods in computational physics. Based on concrete problems, the first part discusses numerical differentiation and integration, as well as the treatment of ordinary differential equations. This is extended by a brief introduction to the numerics of partial differential equations. The second part deals with the generation of random numbers, summarizes the basics of stochastics, and subsequently introduces Monte-Carlo (MC) methods. Specific emphasis is on MARKOV chain MC algorithms. The final two chapters discuss data analysis and stochastic optimization. All this is again motivated and augmented by applications from physics. In addition, the book offers a number of appendices to provide the reader with information on topics not discussed in the main text. Numerous problems with worked-out solutions, chapter introductions and summaries, together with a clear and application-oriented style support the reader. Ready to use C++ codes are provided online.
Book
1 online resource (380 pages) Digital: text file; PDF.
  • Preface; Contents; Chapter 1: Adhesive Bacterial Exopolysaccharides; 1.1 Introduction; 1.2 Characterization of Bacterial Exopolysaccharide Adhesins; 1.2.1 Polysaccharide Purification; 1.2.2 Polymer Length; 1.2.3 Monosaccharide Composition; 1.2.4 Alternative Composition Analysis Methods; 1.2.5 Linkage Analysis; 1.2.6 Tertiary Structural Analysis; 1.3 Polysaccharide Biosynthesis Pathways; 1.3.1 Wzx/Wzy-Dependent Pathway; 1.3.2 ABC Transporter-Dependent Pathway; 1.3.3 Synthase-Dependent Pathway; 1.4 Adhesive Exopolysaccharides; 1.4.1 Pel Polysaccharide (PEL); 1.4.1.1 PEL Biosynthesis Pathway.
  • 1.4.1.2 Modifications1.4.1.3 Interactions and Functions; 1.4.2 Psl Polysaccharide; 1.4.2.1 PSL Biosynthetic Pathway; 1.4.2.2 Interactions and Functions; 1.4.3 PNAG; 1.4.3.1 Biosynthesis; 1.4.3.2 Modification; 1.4.3.3 Interactions and Functions; 1.4.4 Holdfast; 1.4.4.1 Biosynthesis; 1.4.4.2 Modification; 1.4.4.3 Interactions and Functions; 1.5 Exopolysaccharide Adhesives in Infection; 1.6 Conclusion; References; Chapter 2: Adhesion and Adhesives of Fungi and Oomycetes; 2.1 Introduction; 2.2 Prevalence and Importance of Adhesion in Fungi and Oomycetes.
  • 2.2.1 Adhesion as Part of Many Stages of Morphogenesis in Many Fungi2.2.2 Functions of Adhesion; 2.2.3 Selected Examples of Adhesiveness as a Part of a Developmental Sequence; 2.2.3.1 Colletotrichum graminicola, Causal Agent of Anthracnose on Corn; 2.2.3.2 Blumeria graminis f. sp. hordei and f. sp. tritici, Causal Agent of Powdery Mildew of Barley and Wheat, Respectively; 2.2.3.3 Magnaporthe oryzae, Causal Agent of Rice Blast; 2.3 Challenges in Identifying Adhesives in Fungi; 2.3.1 Genetic ``Knockout, ́́``Knockin, ́́and Overexpression Strategies; 2.3.2 Biochemical Strategies.
  • 2.4 Fungal and Oomycete Glues2.4.1 Features; 2.4.2 Postulated Composition of Glues; 2.4.3 Secretion and Cross-Linking, with a Focus on Transglutaminases; 2.4.4 Cell Surface Macromolecules with Apparent Adhesive Properties; 2.4.4.1 PcVsv1, a Protein on Encysting Zoospores of Phytophthora cinnamomi; 2.4.4.2 90-kDa Mannoprotein on Macroconidia of Nectria haematococca (Anamorph Fusarium solani f. sp. cucurbitae); 2.4.4.3 Hydrophobins: The Mannoprotein SC3, a Schizophyllum commune Hydrophobin; the Class I Hydrophobin BcHpb1 of Botrytis ci ...
  • 2.4.4.4 MAD1 and MAD2 (Metarhizium Adhesion-Like Proteins) in the Entomopathic Fungus Metarhizium anisopliae2.4.4.5 Selected Glycosylphosphatidylinositol-Dependent (GPI) Cell Wall Proteins; 2.5 Fungal Adhesins; 2.6 Conclusions; References; Chapter 3: Diatom Adhesives: Molecular and Mechanical Properties; 3.1 Diatoms and Adhesion; 3.1.1 Diatom Morphology; 3.1.2 Significance of Diatom Adhesion; 3.1.3 Diatom Adhesion Strategies; 3.1.4 General Composition of Diatom Mucilages; 3.2 Adhesion and Gliding of Raphid Diatoms; 3.2.1 Adhesion and Gliding Behavior.
Many creatures use adhesive polymers and structures to attach to inert substrates, to each other, or to other organisms. This is the first major review that brings together research on many of the well-known biological adhesives dealing with bacteria, fungi, algae, and marine and terrestrial animals. As we learn more about their molecular and mechanical properties we begin to understand why they adhere so well and with this comes broad applications in areas such as medicine, dentistry, and biotechnology.
(source: Nielsen Book Data)9783319460819 20161213
Book
1 online resource (xv, 294 pages) : illustrations (some color).
  • Radiation-electron (free electron) elementary interaction.- Scattering of X-rays by distributions of free electrons.- Atoms and molecules.- X-ray absorption.- Low correlated systems: gases and dilute solutions.- Complex systems I: short-range correlations.- Complex systems II: arbitrary long-range correlations.- Crystals.- Application of kinematic diffraction.- Introduction to dynamical diffraction.
  • (source: Nielsen Book Data)9783319195537 20160619
This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides fundamental concepts, MatLab routines are provided, showing how to test and implement the concepts. The major difficult in analysing materials by X-ray techniques is that it strongly depends on simulation software. This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. It provides to a young student the knowledge that would take more than 20 years to acquire by working on X-rays and relying on the available textbooks. The scientific productivity worldwide is growing at a breakneck pace, demanding ever more dynamic approaches and synergies between different fields of knowledge. To master the fundamentals of X-ray physics means the opportunity of working at an infiniteness of fields, studying systems where the organizational understanding of matter at the atomic scale is necessary. Since the discovery of X radiation, its usage as investigative tool has always been under fast expansion afforded by instrumental advances and computational resources. Developments in medical and technological fields have, as one of the master girders, the feasibility of structural analysis offered by X-rays. One of the major difficulties faced by beginners in using this fantastic tool lies in the analysis of experimental data. There are only few cases where it is possible to extract structural information directly from experiments. In most cases, structure models and simulation of radiation-matter interaction processes are essential. The advent of intense radiation sources and rapid development of nanotechnology constantly creates challenges that seek solutions beyond those offered by standard X-ray techniques. Preparing new researchers for this scenario of rapid and drastic changes requires more than just teaching theories of physical phenomena. It also requires teaching of how to implement them in a simple and efficient manner. In this book, fundamental concepts in applied X-ray physics are demonstrated through available computer simulation tools. Using MatLab, more than eighty routines are developed for solving the proposed exercises, most of which can be directly used in experimental data analysis. Therefore, besides X-ray physics, this book offers a practical programming course in modern high-level language, with plenty of graphic and mathematical tools.
(source: Nielsen Book Data)9783319195537 20160619
Book
1 online resource (xvi, 318 p.) : ill. (some col.). Digital: text file; PDF.
  • Electron-molecule cross sections and rates involving rotationally, vibrationally and electronically excited states.- Reactivity and relaxation of vibrationally/rotationally excited molecules with open shell atoms.- Formation of vibrationally and rotationally excited molecules during atom recombination on surfaces.- Collisional-radiative models for atomic plasmas.- Collisional-radiative models for molecular plasmas.- Kinetic and Monte Carlo approaches to solve Boltzmann equation for the electron energy distribution functions.- Non-equilibrium plasma kinetics under discharge and post-discharge conditions: coupling problems for low pressure and atmospheric cold plasmas.- Ion transport under strong fields.- PIC (Particle In Cell ) models for low-pressure plasmas.- Negative ion H- for fusion.- Non equilibrium plasma expansion through nozzles.
  • (source: Nielsen Book Data)9781441981844 20160619
Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the book will assess fundamental concepts and theoretical formulations, based on a unified methodological approach, and explore the insight in related scientific problems still opened for the research community.
(source: Nielsen Book Data)9781441981844 20160619
Book
1 online resource : illustrations.
  • The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics.- Anchoring the Potential Energy Surface for the Br + H2O --> HBr + OH Reaction.-Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method.-Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning.-Theoretical Studies of the Excited States of p-Cyanophenylalanine and Comparisons with the Natural Amino Acids Phenylalanine and Tyrosine.-Singlet-Triplet Separations of Di-radicals Treated by the DEA/DIP-EOM-CCSD Methods.- Performance of Density Functionals for Computation of Core Electron Binding Energies in First-row Hydrides and Glycine.- Why Edge Inversion? Theoretical Characterization of the Bonding in the Transition States for Inversion in FnNH(3-n) and FnPH(3-n) (n=0-3).-Wave Function Analysis with Shavitt Graph Density in the Graphically Contracted Function Method.- Aspects of Size-extensivity in Unitary Group Adapted Multi-Reference Coupled Cluster Theories:The Role of Cumulant Decomposition of Spin-free Reduced Density Matrices.- Biconfluent Heun equation in quantum chemistry: Harmonium and related systems.-Spin-Orbit DFT with Analytic Gradients and Applications to Heavy Element Compounds.-Construction of complex STO-NG basis sets by the method of least squares and their applications.-Massively Parallel Spin-Orbit Configuration Interaction.-A comparison of singlet and triplet states for one- and two- dimensional graphene nanoribbons using multireference theory.-Atomic Three- and Four-Body Recurrence Formulas and Related Summations.-Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase.-Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories.-SDS: The 'static-dynamic-static' framework for strongly correlated electrons.-Trihalide cations MF3+, MCl3+ and MBr3+ , M=B, Al, Ga: Pseudo Jahn-Teller coupling, electronic spectra, and ionization potentials of MX3.-Finite-temperature full configuration interaction.-Mechanisms of f-f Hypersensitive Transition Intensities of Lanthanide Trihalide Molecules: A Spin-Orbit Configuration Interaction Study.-Loss of a C2Hn fragment from pyrene and circumcoronene.- Quantum chemical characterization of the X('A ), a(^3B ), A('B ) and B(2'A ) states of diiodomethylene and the enthalpies of formation of diiodomethylene, iodomethylene and iodomethylidyne.-A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell (triplet sigma minus) phosphorous halides:PF and PCl.-Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadrature.- Anomeric Effects in Fluoro and Trifluoromethyl Piperidines: A Computational Study of Conformational Preferences and Hydration.-The Wuppertal Multireference Configuration Interaction (MRD-CI) Program System.-sigma-sigma and sigma-pi Pnicogen Bonds in Complexes H XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH , and H.-Unitary group approach to the many-electron correlation problem: Spin-dependent operators.
  • (source: Nielsen Book Data)9783662481479 20160619
In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
(source: Nielsen Book Data)9783662481479 20160619
Book
1 online resource (x, 263 p.) : ill. (some color). Digital: text file; PDF.
  • Nanostructured systems for fluorescence imaging applications.- Luminescent silica nanoparticles for optical imaging.- Gold-based nanomaterials for applications in nanomedicine.- Core-shell polymer nanoparticles for photodynamic therapy of cancer.- Photoactivable surfaces for biomedical applications.- Up-converting nanoparticles for drug delivery.- Quantum dots for biomedical applications.- Engineered nanoconstructs for multimodal phototherapy.
  • (source: Nielsen Book Data)9783319229416 20160619
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
(source: Nielsen Book Data)9783319229416 20160619
Book
1 online resource.
  • The Izatt-Christensen Award in macrocyclic and supramolecular chemistry
  • Supramolecular chemistry with DNA
  • Anion, Cation and ion-pair recognition by macrocyclic and interlocked host systems
  • Perspectives in molecular tectonics
  • Three tales of supramolecular analytical chemistry
  • Robust host-guest chemistry of cucurbit[n]uril
  • Molecular recognition in biomimetic receptors
  • A lifetime walk in the realm of cyclam
  • Porosity in metal-organic compounds
  • Cyclodextrin-based supramolecular systems
  • Making the tiniest machines
  • Clipping an angel's wings
  • From lanthanide shift reagents to molecular knots
  • Texaphyrins
  • Macrocyclic coordination chemistry of resorcin[4]arenes and Pyrogalll[4]arenes
  • Dynamic control of recognition processes in host-guest systems and polymer-polymer interactions
  • Cation binders, amphiphiles, and membrane active transporters
  • Supramolecular technology
  • Synthesis of macrocyclic complexes using metal ion templates
  • Serendipity
  • Evolution of ZnII-macrocyclic polyamines to biological probes and supramolecular assembly
  • Contractile and extensile molecular systems
  • Index.
This book commemorates the 25th anniversary of the International Izatt-Christensen Award in Macrocyclic and Supramolecular Chemistry. The award, one of the most prestigious of small awards in chemistry, recognizes excellence in the developing field of macrocyclic and supramolecular chemistry Macrocyclic and Supramolecular Chemistry: How Izatt-Christensen Award Winners Shaped the Field features chapters written by the award recipients who provide unique perspectives on the spectacular growth in these expanding and vibrant fields of chemistry over the past half century, and on the role of these awardees in shaping this growth. During this time there has been an upsurge of interest in the design, synthesis and characterization of increasingly more complex macrocyclic ligands and in the application of this knowledge to understanding molecular recognition processes in host-guest chemistry in ways that were scarcely envisioned decades earlier.
(source: Nielsen Book Data)9781119053842 20170313
Book
1 online resource (XXII, 297 p. 127 ill. in color.) : online resource. Digital: text file; PDF.
  • Introduction Section I. Propagation of laminar spherical flames Chapter 1. Flame propagation. Theoretical approaches 1. Influence of chemically active additives on flame .velocity of rich H2 + air mixtures 2. Concentration limits of combustion in rich hydrogen-air mixtures in the presence of inhibitors 3. On the nature of an upper concentration limit of flame propagation in an H2 + air mixture References Chapter 2. Flame propagation by spark discharge initiation 4. Influence of inert additives on the time of formation of steady spherical flame front of mixtures of natural gas and isobutylene with oxygen under spark initiation 5. Influence of inert and active additives on the features of initiation and propagation of laminar spherical flames a t atmospheric pressure 6. Numerical investigation of effects of surface recombination and initiation for laminar hydrogen flames at atmospheric pressure 7. Investigation into regularities of lean hydrogen-air mixtures combustion at atmospheric pressure by means of high-speed cinematography References Chapter 3. Ignition and flame propagation in heated vessels 8. Investigation into thermal ignition in chain oxidation of hydrogen, natural gas, and isobutene by means of high-speed color cinematography 9. Investigation into spontaneous ignition of propane-air and n-pentane-air mixtures in heated vessel at atmospheric pressure by means of high-speed color cinematography 10. On the features of the negative temperature coefficient phenomenon in combustion of n-pentane-air mixtures 11. Investigation into spontaneous ignition of hydrogen-air mixtures in a heated reactor at atmospheric pressure by means of high-speed color cinematography References Chapter 4. Some features of kinetic mechanisms of gaseous combustion 12. Initiation of hydrogen flame by a local source 13. Various influence of active chemical additives on hydrogen and hydrocarbons combustion References Section 2. Unsteady gaseous combustion Chapter 1. Instabilities in gaseous combustion 1. Flame propagation regimes at combustion of lean hydrogen-air mixtures in the presence of additives at central spark initiation at atmospheric pressure 2. Cellular combustion at transition of spherical flame front to flat front at initiated ignition of methane-air, methane-oxygen and n-pentane-air mixtures 3. Establishment of some features of propagation of unstable flames by 3D optical spectroscopy and color speed cinematography 4. Acoustic instabi lities in hydrogen-air mixtures in the closed reactor at the central spark initiation References Chapter 2. Flame interaction with obstacles 5. Interaction of spherical flames of hydrogen-air and methane-air mixtures in the closed reactor at the central spark initiation with close-meshed obstacles 6. Interaction of laminar flames of methane-air mixtures with close-meshed spherical and planar obstacles in closed cylindrical reactor at spark discharge initiation 7. Non-steady propagation of single and counter flames in hydrogen-oxygen and natural gas-oxygen mixtures in closed cylindrical vessels at spark initiation in initially motionless gas 8. Penetration of flames of methane-oxygen mixtures through spherical and planar obstacles in closed cylindrical reactor 9. Interaction of laminar flames of natural gas-oxygen mixtures with planar obstacles, diffusers and confu sers References Section 3. Detonation limits in gaseous systems 1. Contemporary approaches to the description of supersonic combustion 2. Influence of an acoustic resonator on flame propagation regimes in spark initiated H2 combustion in cylindrical reactor in the vicinity of the lower detonation limit 3. Influence of small chemical additives on the velocity of detonation wave and the detonation limit in rich hydrogen mixtures References Section 4. The role of disperse phase in combustion processes Chapter 1. Phase formation in combustion and pyrolysis 1. Factors determ ining phase fo rmation in the heterogeneous chain oxidation of dichlorosilane at low pressures 2. Formation of liquid and solid dusty crystals in gas-phase combustion reactions by the example of dichlorosilane oxidation 3. Thermal decomposition of dichlorosilane. Formation of threadlike nanostructures of silicon and silicon carbide by means of the method of chemical vapor deposition References Chapter 2. Features of combustion of coal gas suspensions 4. Features of thermal ignition of coal gas suspensions, containing natural gas and oxygen 5. Thermal ignition of coal powders in the presence of natural gas, oxygen and chemically active ad ditives 6. Investigation into ignition of coal powders in the presence of oxygen and natural gas by means of high-speed cinematography 7. Suppression of ignition of coal powders in the presence of oxygen and natural gas with small additives of vapor of octadecafluorodecahydronaphthalene C10F18 References Final remarks Acknowledgements.
  • (source: Nielsen Book Data)9783319259321 20160619
This book provides an analysis of contemporary problems in combustion science, namely flame propagation, detonation and heterophaseous combustion based on the works of the author. The current problems in the area of gas combustion, as well as the methods allowing to calculate and estimate limiting conditions of ignition, and flame propagation on the basis of experimental results are considered. The book focuses on the virtually inaccessible works of Russian authors and will be useful for experienced students and qualified scientists in the area of experimental studies of combustion processes.
(source: Nielsen Book Data)9783319259321 20160619
Book
1 online resource. Digital: text file; PDF.
  • Introduction.- Non-Relativistic QED.- Dispersion Interaction Between Two Atoms or Molecules.- Inclusion of Higher Multipole Moments.- van der Waals Dispersion Force Between Three Atoms or Molecules.- Three-Body Dispersion Energy Shift: Contributions from Higher Electric Multipoles.
  • (source: Nielsen Book Data)9783319456041 20170117
This book provides details of the calculation of the interaction between two neutral polarizable atoms or molecules using molecular quantum electrodynamics (QED). To better understand the origin of this force, it briefly outlines molecular QED theory, the well-known van der Waals dispersion potential first evaluated by Casimir and Polder, who accounted for retardation effects. It presents different calculation schemes for the evaluation of the dispersion potential and also discusses energy shifts involving electric quadrupole and octupole moments, along with discriminatory dispersion potentials. Further, it explores in detail non-additive dispersion interaction energies between three-bodies, as well as the effects of higher multipole moment correction terms, and provides results for specific geometries such as collinear and equilateral triangles. Lastly, it computes near and far-zone asymptotic limits for both pair and many-body potentials, with the former shown to agree with less rigorous semi-classical calculations.
(source: Nielsen Book Data)9783319456041 20170117
Book
1 online resource (vi, 266 pages) : illustrations (some color).
  • From the content: Preface
  • Local random phase approximation with projected oscillator orbitals
  • Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states
  • On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.
Book
1 online resource (874)

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