Chemistry Books

Book SynopsisAuch in seiner dritten Auflage besticht dieses Lehrbuch durch seine verst ndliche Darstellung und die einpr gsamen Abbildungen, die die komplexe Materie nicht nur dem Studenten nahebringen. Der Inhalt wurde fur die neue Auflage durchgehend aktualisiert und um wichtige neue Aspekte des Umweltrechts erg nzt. Stimmen zum Buch: ..".ein umfassender, flott zu lesender Einstieg in das weite Feld der Umweltchemie." (Nachrichten aus der Chemie) "Zahlreiche Tabellen und Grafiken helfen beim Verstehen der Zusammenh nge." (Umwelt Magazin) "Besonders erw hnenswert ist das umfangreiche Register. [Dieses] verleiht dem Buch beinahe einen lexikalen Charakter." (Advances in Food Sciences) "Durch seinen durchg ngien Praxisbezug ... bietet das Buch auch dem in der Industrie t tigen Praktiker ein umfassendes Nachschlagewerk zu den Fragen des Umweltschutzes." (Aluminium)Trade Review"Das Buch "Umweltchemie" ist sehr übersichtlich gegliedert und handelt in gut nachvollziehbarer Form erst die stofflichen und allgemeinen Umweltschutz-Aspekte und dann die drei Umweltkompartimente Luft, Wasser und Boden ab. Zusätzlich gibt es noch einen weiteren ausführlichen Teil zum Thema Abfall. Sehr hilfreich ist auch die Abhandlung der sicherheitstechnischen und rechtlichen Aspekte im ersten Teil, so dass insgesamt ein komplettes und umfassendes Werk zum Thema Umweltchemie entstanden ist, dass sich vielfältig einsetzen lässt, nicht nur für die geplante Lehrveranstaltung "Chemie im Umweltingenieurwesen" im Studiengang Bauingenieurwesen, sondern auch für die bereits etablierte Lehrveranstaltung "Chemische Umwelttechnik" im eigenen Studiengang "Pharma- und Chemietechnik". Die im gesamten Buch verwendete Darstellungsweise mit innerer Textspalte und äußerer Informationsspalte, die die wichtigsten Informationen zusammenfasst oder wichtige Zusatzinformationen enthält, ist für den Einsatz im Studium in idealer Form geeignet." Prof. Dr. rer. nat. Hartmut Wesenfeld (Beuth Hochschule für Technik Berlin)Table of ContentsUMWELT, STOFFE Umweltchemie, Chemie der Umwelt Entstehung und Aufbau der Erde Stoffe in der Umwelt Umweltschutz Umweltrecht Chemikaliengesetz, Gefahrstoffverordnung, Gefahrgutgesetz LUFT Die Lufthülle der Erde Kohlendioxid Kohlenmonoxid Schwefelverbindungen Oxide des Stickstoffs Flüchtige organische Verbindungen Ozon in der Stratosphäre Aerosole Immissionsschutzrecht WASSER Wasser:Grundlagen Wasserkreislauf, Wasserbelastungen Spezielle Wasserbelastungen Trinkwassergewinnung und Abwasserreinigung Gewässerschutzrecht BODEN Boden:Grundlagen Bodenbelastungen Schwermetalle Altlasten Bodenschutzrecht ABFALL Abfall:Überblick Hausmüll Recycling Sonderabfall Abfallrecht ANHANG REGISTER

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Book SynopsisThis work-book will guide you safely, in step-by-step descriptions, through every detail of the NMR experiments within, beginning with 1D routine experiments and ending with a series of advanced 3D experiments on a protein: ? Which experiment can best yield the desired information? ? How must the chosen experiment be performed? ? How does one read the required information from the spectrum? ? How does this particular pulse sequence work? ? Which other experiments give similar information? This third edition of the book, following its two highly successful predecessors, has been revised and expanded to 206 experiments. They are organized in 15 chapters, covering test procedures and routine spectra, variable temperature measurements, the use of auxiliary reagents, 1D multipulse experiments, spectra of heteronuclides, and the application of selective pulses. The second and third dimensions are introduced using pulsed field gradients, and experiments on solid state materials are described. A key part describes 3D experiments on the protein ubiquitin with 76 amino acids. What is new in this third edition? 1. 24 new experiments have been inserted into the 14 chapters that were in the 2nd edition, e.g., alpha/beta-SELINCOR-TOCSY, WET, DOSY, ct-COSY, HMSC, HSQC with adiabatic pulses, HETLOC. J-resolved HMBC, (1,1)- and (1,n)-ADEQUATE, STD, REDOR, and HR-MAS. 2. 20 new protein NMR experiments have been specially devised and are collected in the newly added Chapter 15, ProteinNMR, for which one needs a special model sample: fully 13C- and 15N-labeled human ubiquitin. Techniques used include the constant time principle, the PEP method, filters, gradient selection, and the echo/anti-echo procedure. The guide has been written by experts in this field, following the principle of learning by doing: all the experiments have been specially performed for this book, exactly as described and shown in the spectra that are reproduced. Being a reference source and work-book for the NMR laboratory as well as a textbook, it is a must for every scientist working with NMR, as well as for students preparing for their laboratory coursesTrade Review"This book is an excellent catalogue of useful NMR experiments for people who are looking for the most suitable experiment to solve a specific problem. It collects in one place all the currently pulse sequences from liquid NMR spectroscopy, discusses their relative merits, the time required to perform them and gives experimental examples measured by the authors for this book. ... In conclusion, I think this book is a great encyclopedia of the techniques of modern liquid state NMR spectroscopy. It is highly readabele and should be on the shelf of any serious NMR spectroscopist, who does more complicated experiments than routine H-NMR spectroscopy. Finally instrument vendors should consider packing at least one copy of this book with every new NMR machine and using it as an educational toot when installing the machine." Dr. Gerd Buntkowsky, FSU Jena, Zeitschrift fur Physikalische Chemie, Band 218, Heft 11 "This third edition serves as a detailed guide to NMR, complete with 206 experiments ranging form 1-D trials to more complex 3-D experiments on proteins." Analytical Chemistry, November 1, 2004 "The handbook is written by experts and gives very detailed step-by-step instructions. ... This excellent book is very well written and builds on the success of the earlier version that was largely due to its clarity, information content and the fact that the methods worked." J. Lindon, Chromatographia 2005, Vol. 61/No. 1/2 "I highly recommend this book to all scientists who are trying to implement new experimental schemes in liquid-state NMR spectroscopy. It is a very useful NMR >cookbook< and a good starting point to find additional detailed information about experimental methods." Dr. Matthias Ernst, ETH Zurich, Physical Chemistry, ChemPhysChem, 5/2005 "...I find it to be one of the most useful books on my shelf...each new edition has brought substantial improvements...you will not be sorry if you acquire a copy for your personal library." Applied Spectroscopy, May 2005 "Beginnend von den >Basics< ...gelingt es den Autoren sehr schnell in die hochmoderne NMR-Technik einzusteigen. Dabei werden die wichtigsten der modernsten NMR-Methoden sehr gut und ausgiebig erklärt." www.chemieonline.deTable of ContentsPreface v Chapter 1 The NMR Spectrometer 1 1.1 Components of an NMR Spectrometer 1 1.1.1 The Magnet 1 1.1.2 The Spectrometer Cabinet 2 1.1.3 The Computer 3 1.1.4 Maintenance 3 1.2 Tuning a Probe-Head 3 1.3 The Lock Channel 4 1.4 The Art of Shimming 6 1.4.1 The Shim Gradients 6 1.4.2 The Shimming Procedure 8 1.4.3 Gradient Shimming 11 Chapter 2 Determination of Pulse-Duration 14 Exp. 2.1: Determination of the 90° 1H Transmitter Pulse-Duration 15 Exp. 2.2: Determination of the 90° 13C Transmitter Pulse-Duration 18 Exp. 2.3: Determination of the 90° 1H Decoupler Pulse-Duration 21 Exp. 2.4: The 90° 1H Pulse with Inverse Spectrometer Configuration 24 Exp. 2.5: The 90° 13C Decoupler Pulse with Inverse Configuration 27 Exp. 2.6: Composite Pulses 30 Exp. 2.7: Radiation Damping 33 Exp. 2.8: Pulse and Receiver Phases 36 Exp. 2.9: Determination of Radiofrequency Power 39 Chapter 3 Routine NMR Spectroscopy and Standard Tests 43 Exp. 3.1: The Standard 1H NMR Experiment 44 Exp. 3.2: The Standard 13C NMR Experiment 49 Exp. 3.3: The Application of Window Functions 54 Exp. 3.4: Computer-Aided Spectral Analysis 58 Exp. 3.5: Line Shape Test for 1H NMR Spectroscopy 61 Exp. 3.6: Resolution Test for 1H NMR Spectroscopy 64 Exp. 3.7: Sensitivity Test for 1H NMR Spectroscopy 67 Exp. 3.8: Line Shape Test for 13C NMR Spectroscopy 70 Exp. 3.9: ASTM Sensitivity Test for 13C NMR Spectroscopy 73 Exp. 3.10: Sensitivity Test for 13C NMR Spectroscopy 76 Exp. 3.11: Quadrature Image Test 79 Exp. 3.12: Dynamic Range Test for Signal Amplitudes 82 Exp. 3.13: 13° Phase Stability Test 85 Exp. 3.14: Radiofrequency Field Homogeneity 88 Chapter 4 Decoupling Techniques 91 Exp. 4.1: Decoupler Calibration for Homonuclear Decoupling 92 Exp. 4.2: Decoupler Calibration for Heteronuclear Decoupling 95 Exp. 4.3: Low-Power Calibration for Heteronuclear Decoupling 98 Exp. 4.4: Homonuclear Decoupling 101 Exp. 4.5: Homonuclear Decoupling at Two Frequencies 104 Exp. 4.6: The Homonuclear SPT Experiment 107 Exp. 4.7: The Heteronuclear SPT Experiment 110 Exp. 4.8: The Basic Homonuclear NOE Difference Experiment 113 Exp. 4.9: 1D Nuclear Overhauser Difference Spectroscopy 116 Exp. 4.10: 1D NOE Spectroscopy with Multiple Selective Irradiation 119 Exp. 4.11: 1H Off-Resonance Decoupled 13C NMR Spectra 122 Exp. 4.12: The Gated 1H-Decoupling Technique 125 Exp. 4.13: The Inverse Gated 1H-Decoupling Technique 128 Exp. 4.14: 1H Single-Frequency Decoupling of 13C NMR Spectra 131 Exp. 4.15: 1H Low-Power Decoupling of 13C NMR Spectra 134 Exp. 4.16: Measurement of the Heteronuclear Overhauser Effect 137 Chapter 5 Dynamic NMR Spectroscopy 140 Exp. 5.1: Low-Temperature Calibration Using Methanol 141 Exp. 5.2: High-Temperature Calibration Using 1,2-Ethanediol 145 Exp. 5.3: Dynamic 1H NMR Spectroscopy on Dimethylformamide 149 Exp. 5.4: The Saturation Transfer Experiment 152 Exp. 5.5: Measurement of the Rotating-Frame Relaxation Time T1ρ 155 Chapter 6 1D Multipulse Sequences 159 Exp. 6.1: Measurement of the Spin−Lattice Relaxation Time T1 160 Exp. 6.2: Measurement of the Spin−Spin Relaxation Time T2 164 Exp. 6.3: 13C NMR Spectra with SEFT 167 Exp. 6.4: 13C NMR Spectra with APT 170 Exp. 6.5: The Basic INEPT Technique 173 Exp. 6.6: INEPT+ 176 Exp. 6.7: Refocused INEPT 179 Exp. 6.8: Reverse INEPT 182 Exp. 6.9: DEPT-135 185 Exp. 6.10: Editing 13C NMR Spectra Using DEPT 188 Exp. 6.11: DEPTQ 191 Exp. 6.12: Multiplicity Determination Using PENDANT 194 Exp. 6.13: 1D-INADEQUATE 197 Exp. 6.14: The BIRD Filter 201 Exp. 6.15: TANGO 204 Exp. 6.16: The Heteronuclear Double-Quantum Filter 207 Exp. 6.17: Purging with a Spin-Lock Pulse 210 Exp. 6.18: Water Suppression by Presaturation 213 Exp. 6.19: Water Suppression by the Jump-and-Return Method 216 Chapter 7 NMR Spectroscopy with Selective Pulses 219 Exp. 7.1: Determination of a Shaped 90° 1H Transmitter Pulse 220 Exp. 7.2: Determination of a Shaped 90° 1H Decoupler Pulse 223 Exp. 7.3: Determination of a Shaped 90° 13C Decoupler Pulse 226 Exp. 7.4: Selective Excitation Using DANTE 229 Exp. 7.5: SELCOSY 232 Exp. 7.6: SELINCOR: Selective Inverse H,C Correlation via 1J(C,H) 235 Exp. 7.7: SELINQUATE 238 Exp. 7.8: Selective TOCSY 242 Exp. 7.9: INAPT 246 Exp. 7.10: Determination of Long-Range C,H Coupling Constants 249 Exp. 7.11: SELRESOLV 252 Exp. 7.12: SERF 255 Chapter 8 Auxiliary Reagents, Quantitative Determinations, and Reaction Mechanisms 258 Exp. 8.1: Signal Separation Using a Lanthanide Shift Reagent 259 Exp. 8.2: Signal Separation of Enantiomers Using a Chiral Shift Reagent 262 Exp. 8.3: Signal Separation of Enantiomers Using a Chiral Solvating Agent 265 Exp. 8.4: Determination of Enantiomeric Purity with Pirkle’s Reagent 268 Exp. 8.5: Determination of Enantiomeric Purity by 31P NMR 271 Exp. 8.6: Determination of Absolute Configuration by the Advanced Mosher Method 274 Exp. 8.7: Aromatic Solvent-Induced Shift (ASIS) 277 Exp. 8.8: NMR Spectroscopy of OH Protons and H/D Exchange 280 Exp. 8.9: Water Suppression Using an Exchange Reagent 283 Exp. 8.10: Isotope Effects on Chemical Shielding 286 Exp. 8.11: pKa Determination by 13C NMR 290 Exp. 8.12: Determination of Association Constants Ka 293 Exp. 8.13: Saturation Transfer Difference NMR 298 Exp. 8.14: The Relaxation Reagent Cr(acac)3 302 Exp. 8.15: Determination of Paramagnetic Susceptibility by NMR 305 Exp. 8.16: 1H and 13C NMR of Paramagnetic Compounds 308 Exp. 8.17: The CIDNP Effect 312 Exp. 8.18: Quantitative 1H NMR Spectroscopy: Determination of the Alcohol Content of Polish Vodka 315 Exp. 8.19: Quantitative 13C NMR Spectroscopy with Inverse Gated 1H-Decoupling 318 Exp. 8.20: NMR Using Liquid-Crystal Solvents 321 Chapter 9 Heteronuclear NMR Spectroscopy 324 Exp. 9.1: 1H-Decoupled 15N NMR Spectra Using DEPT 330 Exp. 9.2: 1H-Coupled 15N NMR Spectra Using DEPT 333 Exp. 9.3: 19F NMR Spectroscopy 336 Exp. 9.4: 29Si NMR Spectroscopy Using DEPT 339 Exp. 9.5: 29Si NMR Spectroscopy Using Spin-Lock Polarization 342 Exp. 9.6: 119Sn NMR Spectroscopy 346 Exp. 9.7: 2H NMR Spectroscopy 349 Exp. 9.8: 11B NMR Spectroscopy 352 Exp. 9.9: 17O NMR Spectroscopy Using RIDE 355 Exp. 9.10: 47/49Ti NMR Spectroscopy Using ARING 358 Chapter 10 The Second Dimension 362 Exp. 10.1: 2D J-Resolved 1H NMR Spectroscopy 367 Exp. 10.2: 2D J-Resolved 13C NMR Spectroscopy 370 Exp. 10.3: The Basic H,H-COSY Experiment 373 Exp. 10.4: Long-Range COSY 377 Exp. 10.5: Phase-Sensitive COSY 380 Exp. 10.6: Phase-Sensitive COSY-45 383 Exp. 10.7: E.COSY 386 Exp. 10.8: Double-Quantum-Filtered COSY with Presaturation 389 Exp. 10.9: Fully Coupled C,H Correlation (FUCOUP) 393 Exp. 10.10: C,H-Correlation by Polarization Transfer (HETCOR) 396 Exp. 10.11: Long-Range C,H-Correlation by Polarization Transfer 399 Exp. 10.12: C,H Correlation via Long-Range Couplings (COLOC) 402 Exp. 10.13: The Basic HMQC Experiment 405 Exp. 10.14: Phase-Sensitive HMQC with BIRD Filter and GARP Decoupling 409 Exp. 10.15: Poor Man’s Gradient HMQC 412 Exp. 10.16: Phase-Sensitive HMBC with BIRD Filter 415 Exp. 10.17: The Basic HSQC Experiment 418 Exp. 10.18: The HOHAHA or TOCSY Experiment 422 Exp. 10.19: HETLOC 426 Exp. 10.20: The NOESY Experiment 430 Exp. 10.21: The CAMELSPIN or ROESY Experiment 434 Exp. 10.22: The HOESY Experiment 438 Exp. 10.23: 2D-INADEQUATE 441 Exp. 10.24: The EXSY Experiment 445 Exp. 10.25: X,Y-Correlation 448 Chapter 11 1D NMR Spectroscopy with Pulsed Field Gradients 453 Exp. 11.1: Calibration of Pulsed Field Gradients 455 Exp. 11.2: Gradient Pre-emphasis 458 Exp. 11.3: Gradient Amplifier Test 461 Exp. 11.4: Determination of Pulsed Field Gradient Ring-Down Delays 464 Exp. 11.5: The Pulsed Field Gradient Spin-Echo Experiment 467 Exp. 11.6: Excitation Pattern of Selective Pulses 470 Exp. 11.7: The Gradient Heteronuclear Double-Quantum Filter 474 Exp. 11.8: The Gradient zz-Filter 477 Exp. 11.9: The Gradient-Selected Dual Step Low-Pass Filter 480 Exp. 11.10: gs-SELCOSY 484 Exp. 11.11: gs-SELTOCSY 488 Exp. 11.12: DPFGSE-NOE 492 Exp. 11.13: gs-SELINCOR 496 Exp. 11.14: α/β-SELINCOR-TOCSY 499 Exp. 11.15: GRECCO 503 Exp. 11.16: WATERGATE 506 Exp. 11.17: Water Suppression by Excitation Sculpting 509 Exp. 11.18: Solvent Suppression Using WET 512 Exp. 11.19: DOSY 515 Exp. 11.20: INEPT-DOSY 518 Exp. 11.21: DOSY-HMQC 521 Chapter 12 2D NMR Spectroscopy With Field Gradients 525 Exp. 12.1: gs-COSY 526 Exp. 12.2: Constant-Time COSY 530 Exp. 12.3: Phase-Sensitive gs-DQF-COSY 534 Exp. 12.4: gs-HMQC 538 Exp. 12.5: gs-HMBC 542 Exp. 12.6: ACCORD-HMBC 546 Exp. 12.7: HMSC 550 Exp. 12.8: Phase-Sensititive gs-HSQC with Sensitivity Enhancement 554 Exp. 12.9: Edited HSQC with Sensitivity Enhancement 558 Exp. 12.10: HSQC with Adiabatic Pulses for High-Field Instruments 563 Exp. 12.11: gs-TOCSY 567 Exp. 12.12: gs-HMQC-TOCSY 571 Exp. 12.13: gs-HETLOC 575 Exp. 12.14: gs-J-Resolved HMBC 581 Exp. 12.15: 2Q-HMBC 585 Exp. 12.16: 1H-Detected 2D INEPT-INADEQUATE 589 Exp. 12.17: 1,1-ADEQUATE 593 Exp. 12.18: 1,n-ADEQUATE 597 Exp. 12.19: gs-NOESY 601 Exp. 12.20: gs-HSQC-NOESY 604 Exp. 12.21: gs-HOESY 608 Exp. 12.22: 1H,15N Correlation with gs-HMQC 612 Chapter 13 The Third Dimension 616 Exp. 13.1: 3D HMQC-COSY 618 Exp. 13.2: 3D gs-HSQC-TOCSY 622 Exp. 13.3: 3D H,C,P-Correlation 626 Exp. 13.4: 3D HMBC 630 Chapter 14 Solid-State NMR Spectroscopy 634 Exp. 14.1: Shimming Solid-State Probe-Heads 635 Exp. 14.2: Adjusting the Magic Angle 639 Exp. 14.3: Hartmann−Hahn Matching 642 Exp. 14.4: The Basic CP/MAS Experiment 645 Exp. 14.5: TOSS 649 Exp. 14.6: SELTICS 653 Exp. 14.7: Connectivity Determination in the Solid State 656 Exp. 14.8: REDOR 659 Exp. 14.9: High-Resolution Magic-Angle Spinning 663 Chapter 15 Protein NMR 666 Exp. 15.1: Pulse Determination for Protein NMR 670 Exp. 15.2: HN-HSQC 673 Exp. 15.3: HC-HSQC 678 Exp. 15.4: MUSIC 682 Exp. 15.5: HN-Correlation using TROSY 688 Exp. 15.6: HN-TOCSY-HSQC 692 Exp. 15.7: HNCA 698 Exp. 15.8: HN(CO)CA 705 Exp. 15.9: HNCO 711 Exp. 15.10: HN(CA)CO 718 Exp. 15.11: HCACO 725 Exp. 15.12: HCCH-TOCSY 732 Exp. 15.13: CBCANH 739 Exp. 15.14: CBCA(CO)NH 746 Exp. 15.15: HBHA(CBCACO)NH 753 Exp. 15.16: HN(CA)NNH 760 Exp. 15.17: HN-NOESY-HSQC 766 Exp. 15.18: HC-NOESY-HSQC 773 Exp. 15.19: 3D HCN-NOESY 779 Exp. 15.20: HNCA-J 785 Appendix 1 791 Pulse Programs Appendix 2 794 Instrument Dialects Appendix 3 797 Classification of Experiments Appendix 4 799 Elementary Product Operator Formalism Rules Appendix 5 802 Chemical Shift and Spin-Coupling Data for Ethyl Crotonate and Strychnine Glossary and Index 804

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Book SynopsisProviding both an introduction and an up-to-date survey of the entire field, this text captivates the reader with its clear style and inspiring, yet solid presentation. The significantly expanded second edition of this milestone work is supplemented by a completely new chapter on the hot topic of nanoparticles and includes the latest insights into the deposition of dye layers on semiconductor electrodes. In his monograph, the acknowledged expert Professor Memming primarily addresses physical and electrochemists, but materials scientists, physicists, and engineers dealing with semiconductor technology and its applications will also benefit greatly from the contents.Table of ContentsPreface to the Second Edition XI Preface XIII 1 Principles of Semiconductor Physics 1 1.1 Crystal Structure 1 1.2 Energy Levels in Solids 3 1.3 Optical Properties 8 1.4 Density of States and Carrier Concentrations 11 1.4.1 Intrinsic Semiconductors 14 1.4.2 Doped Semiconductors 15 1.5 Carrier Transport Phenomena 17 1.6 Excitation and Recombination of Charge Carriers 19 1.7 Fermi Levels under Nonequilibrium Conditions 21 2 Semiconductor Surfaces and Solid–Solid Junctions 23 2.1 Metal and Semiconductor Surfaces in a Vacuum 23 2.2 Metal–Semiconductor Contacts (Schottky Junctions) 26 2.2.1 Barrier Heights 26 2.2.2 Majority Carrier Transfer Processes 31 2.2.3 Minority Carrier Transfer Processes 35 2.3 p–n Junctions 38 2.4 Ohmic Contacts 41 2.5 Photovoltages and Photocurrents 42 2.6 Surface Recombination 46 3 Electrochemical Systems 49 3.1 Electrolytes 49 3.1.1 Ion Transport in Solutions 49 3.1.2 Interaction between Ions and Solvent 52 3.2 Potentials and Thermodynamics of Electrochemical Cells 53 3.2.1 Chemical and Electrochemical Potentials 53 3.2.2 Cell Voltages 56 3.2.3 Reference Potentials 59 3.2.4 Standard Potential and Fermi Level of Redox Systems 60 4 Experimental Techniques 65 4.1 Electrode Preparation 65 4.2 Current–Voltage Measurements 65 4.2.1 Voltametry 65 4.2.2 PhotocurrentMeasurements 67 4.2.3 Rotating Ring Disk Electrodes 68 4.2.4 Scanning ElectrochemicalMicroscopy (SECM) 69 4.3 Measurements of Surface Recombination and Minority Carrier Injection 70 4.4 Impedance Measurements 72 4.4.1 Basic Rules and Techniques 72 4.4.2 Evaluation of Impedance Spectra 74 4.4.3 Intensity Modulated Photocurrent Spectroscopy (IMPS) 78 4.5 Surface Conductivity Measurement 80 4.6 Flash Photolysis Investigations 82 4.7 Surface Science Techniques 82 4.7.1 Spectroscopic Methods 83 4.7.2 In situ SurfaceMicroscopy (STMand AFM) 85 5 Solid–Liquid Interface 89 5.1 Structure of the Interface and Adsorption 89 5.2 Charge and Potential Distribution at the Interface 91 5.2.1 The Helmholtz Double Layer 92 5.2.2 Gouy Layer in the Electrolyte 93 5.2.3 Space Charge Layer in the Semiconductor 94 5.2.4 Charge Distribution in Surface States 101 5.3 Analysis of the Potential Distribution 102 5.3.1 Germanium Electrodes 102 5.3.2 Silicon Electrodes 109 5.3.3 Compound Semiconductor Electrodes 111 5.3.4 Flatband Potential and Position of Energy Bands at the Interface 114 5.3.5 Unpinning of Energy Bands during Illumination 118 5.4 Modification of Semiconductor Surfaces 123 6 Electron Transfer Theories 127 6.1 The Theory of Marcus 127 6.1.1 Electron Transfer in Homogeneous Solutions 127 6.1.2 The Reorganization Energy 132 6.1.3 Adiabatic and Nonadiabatic Reactions 134 6.1.4 Electron Transfer Processes at Electrodes 134 6.2 The Gerischer Model 138 6.2.1 Energy States in Solution 138 6.2.2 Electron Transfer 143 6.3 Quantum Mechanical Treatments of Electron Transfer Processes 145 6.3.1 Introductory Comments 146 6.3.2 Nonadiabatic Reactions 149 6.3.3 Adiabatic Reactions 156 6.4 The Problemof Deriving Rate Constants 165 6.5 Comparison of Theories 167 7 Charge Transfer Processes at the Semiconductor–Liquid Interface 169 7.1 Charge Transfer Processes at Metal Electrodes 169 7.1.1 Kinetics of Electron Transfer at the Metal–Liquid Interface 169 7.1.2 Diffusion-controlled Processes 178 7.1.3 Investigations of Redox Reactions by Linear Sweep Voltametry 182 7.1.4 Criteria for Reversible and Irreversible Reactions 183 7.2 Qualitative Description of Current–Potential Curves at Semiconductor Electrodes 185 7.3 One-step Redox Reactions 186 7.3.1 The Energetics of Charge Transfer Processes 186 7.3.2 Quantitative Derivation of Current–Potential Curves 189 7.3.3 Light-Induced Processes 194 7.3.4 Majority Carrier Reactions 198 7.3.5 Minority Carrier Reactions 211 7.3.6 Electron Transfer in the “Inverted Region” 222 7.4 The Quasi-Fermi-Level Concept 225 7.4.1 Basic Model 225 7.4.2 Application of the Concept to Photocurrents 229 7.4.3 Consequences for the Relation between Impedance and IMPS Spectra 233 7.4.4 Quasi-Fermi-Level Positions under High-Level Injections 237 7.5 Determination of the Reorganization Energy 240 7.6 Two-step Redox Processes 244 7.7 Photoluminescence and Electroluminescence 249 7.7.1 Kinetic Studies by Photoluminescence Measurement 250 7.7.2 Electroluminescence Induced by Minority Carrier Injection 255 7.8 Hot Carrier Processes 258 7.9 Catalysis of Electrode Reactions 262 8 Electrochemical Decomposition of Semiconductors 267 8.1 Anodic Dissolution Reactions 267 8.1.1 Germanium 267 8.1.2 Silicon 271 8.1.3 Compound Semiconductors 279 8.2 Cathodic Decomposition 283 8.3 Dissolution under Open Circuit Conditions 283 8.4 Energetics and Thermodynamics of Corrosion 285 8.5 Competition between Redox Reaction and Anodic Dissolution 288 8.6 Formation of Porous Semiconductor Surfaces 293 9 Photoreactions at Semiconductor Particles 295 9.1 Quantum Size Effects 295 9.1.1 Quantum Dots 296 9.1.2 Single Crystalline Quantum Films and Superlattices 303 9.1.3 Size Quantized Nanocrystalline Films 305 9.2 Charge Transfer Processes at Semiconductor Particles 306 9.2.1 Reactions in Suspensions and Colloidal Solutions 306 9.2.2 Photoelectron Emission 313 9.2.3 Comparison between Reactions at Semiconductor Particles and at Compact Electrodes 316 9.2.4 The Role of Surface Chemistry 317 9.2.5 Enhanced Redox Chemistry in Quantized Colloids 318 9.2.6 Reaction Routes at Small and Big Particles 322 9.2.7 Sandwich Formation between Different Particles and between Particle and Electrode 324 9.3 Charge Transfer Processes at Quantum Well Electrodes (MQW,SQW) 327 9.4 Photoelectrochemical Reactions at Nanocrystalline Semiconductor Layers 331 9.4.1 Impact Ionization and Carrier Multiplication 333 9.4.2 Hot Carrier Cooling and ExcitonMultiplication in Quantum Dots 335 9.4.3 Multiple Exciton Collection in a Sensitized Photovoltaic System 340 10 Electron Transfer Processes between ExcitedMolecules and Semiconductor Electrodes 343 10.1 Energy Levels of Excited Molecules 343 10.2 Reactions at Semiconductor Electrodes 349 10.2.1 Spectra of Sensitized Photocurrents 349 10.2.2 Dye Molecules Adsorbed on the Electrode and in Solution 352 10.2.3 Potential Dependence of Sensitization Currents 356 10.2.4 Sensitization Processes at Semiconductor Surfaces Modified by Dye Monolayers 357 10.2.5 Quantum Efficiencies, Regeneration, and Supersensitization 364 10.2.6 Kinetics of Electron Transfer between Dye and Semiconductor Electrode 366 10.2.7 Sensitization Processes at Nanocrystalline Semiconductor Electrodes 370 10.3 Comparison with Reactions at Metal Electrodes 375 10.4 Production of Excited Molecules by Electron Transfer 376 11 Applications 379 11.1 Photoelectrochemical Solar Energy Conversion 379 11.1.1 Electrochemical Photovoltaic Cells 379 11.1.2 Photoelectrolysis 402 11.1.3 Photoreduction of CO2 424 11.2 Photocatalytic Processes 426 11.2.1 Photodegradation of Pollutants 427 11.2.2 Photocatalytic Reactions 429 11.2.3 Light-Induced Chemical Reactions 430 11.3 Etching of Semiconductors 431 11.4 Light-Induced Metal Deposition 433 Appendices 437 A.1 List ofMajor Symbols 437 A.2 Physical Constants 440 A.3 Lattice Parameters of Semiconductors 440 A.4 Properties of Important Semiconductors 441 A.5 Effective Density of States and Intrinsic Carrier Densities 441 A.6 Major Redox Systems and Corresponding Standard Potentials 442 A.6.1 Aqueous Solutions 442 A.6.2 In Acetonitrile (vs Ag/AgCl) 442 A.7 Potentials of Reference Electrodes 443 References 445 Index 465

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Book SynopsisSeit der ersten Auflage dieses Referenzwerks gab es sowohl im Bereich der Herstellung als auch Anwendung von Vliesstoffen eine Reihe innovativer Neuerungen, und die weltweite Vliesstoffproduktion hat sich nahezu verdoppelt. Diesen Entwicklungen wird in der zweiten, komplett überarbeiteten Auflage Rechnung getragen und vermittelt allen Vliesstoff-Interessierten - vom Polymerchemiker bis zum Anwender - ein vertieftes Verständnis dieses dynamischen Gebiets. Neben neuen Herstellungsverfahren wie Meltblown, Nanoval, Airlaid, Elektrospinnen sowie Ultraschallverfestigung wurden auch die verschiedenen Verfahren zur Oberflächenmodifizierung, Konfektionierung und zum Recycling von Vliesstoffen mit aufgenommen. Ein besonderer Schwerpunkt liegt bei Vliesstoffen für technische Anwendungen wie Isolation, Schutztextilien und Filtern. Ein separater Abschnitt über Prüfverfahren für Rohstoffe, Zwischen- und Endprodukte erhöht den Wert als unentbehrliches Nachschlagewerk.Trade Review"Dieses Buch bietet umfassende Information über Vliesstoffe, von den Fasern über die verschiedenen Verarbeitungsverfahren bis zu der Verwendung von Vliesstoffen. Es ist das Standardwerk der nächsten Jahre!" Chemie Ingenieur Technik. CIT-Journal (04/2018) "Die Liste der Autoren ist lang; genannt sind 78 Namen, was beweist, wie umfassend und sorgfältig das Werk in der neuesten Auflage zusammengestellt wurde." Werkstoffe in der Fertigung (4/2012, 01.09.2012) "eine umfassende 'Vliesstoff-Bibel'" Technische Textilien (4/2012, 01.09.2012) "Für eine Industrie mit lang anhaltendem kontinuierlichen Wachstum und einem Umsatz von heute 14-15 Milliarden USD/ Jahr war es allerhöchste Zeit, dass dieses Buch in überarbeiteter, stark aktualisierter Form erscheint... Insgesamt ist dieses Buch für Forschung, Aus und Weiterbildung und die Industrie sicher ein Muss." KU - KunststoffeTable of ContentsVorwort XXI Vorwort zur 1. Auflage XXIII Liste der Autoren XXV 0 Einführung 1 0.1 Definition und Einsatz von Vliesstoffen 1 0.2 Kurzer Überblick zu den Vliesstoffproduktionsprozessen 3 0.3 Entwicklung der Vliesstoffindustrie 4 0.3.1 1972−2011: Vier Jahrzehnte Vliesstoffproduktion mit ausgeprägter Charakteristik 4 0.3.2 1972−1981: Die Zeit der Pioniere 5 0.3.3 1982−1991: Gesundes Wachstum und Attraktivität 7 0.3.4 1992−2001: Das Zeitalter der Reife. und Unsicherheit 9 0.3.5 2002−2009: Das Phänomen Wassergestrahlte Wischtücher 11 0.4 Trendanalyse 13 0.4.1 Rohmaterialverbrauch 14 0.4.2 Geographische Betrachtungen 14 0.4.3 Ökonomische Perspektive 15 0.5 Zusammenfassung und Ausblick 15 1 Faserstoffe 21 1.1 Naturfasern 21 1.1.1 Pflanzliche Fasern 23 1.1.1.1 Baumwolle (Gossypium) 23 1.1.1.2 Flachs (Linum usitatissimum Linné) 24 1.1.1.3 Jute (Corchorus) 25 1.1.1.4 Sisal (Agave sisalana) 25 1.1.1.5 Kokos (Cocos nucifera) 25 1.1.2 Tierische Fasern 25 1.1.2.1 Wolle (Ovis aries L.) 25 1.1.2.2 Seide (Bomby mori L.) 26 1.2 Chemiefasern 26 1.2.1 Chemiefasern aus natürlichen Polymeren 26 1.2.1.1 Cellulosische Chemiefasern 26 1.2.1.2 Chemiefasern aus Cellulosederivaten 30 1.2.1.3 Fasern aus Biokunststoffen 31 1.2.2 Chemiefasern aus synthetischen Polymeren 33 1.2.2.1 Polyesterfasern (PES) 33 1.2.2.2 Polyamidfasern (PA) 34 1.2.2.3 Polyolefinfasern (PO, PT, PE) 37 1.2.2.4 Polyacrylfasern (PAN) 38 1.2.2.5 Polyvinylalkoholfasern (PVA) 39 1.2.2.6 Aramidfasern (PAI) 40 1.2.2.7 Melaminharzfasern (MF) 41 1.2.3 Chemiefasern aus anorganischen Polymeren 42 1.2.3.1 Glasfasern 42 1.2.3.2 Silikatfasern 43 1.2.3.3 Keramikfasern 44 1.2.3.4 Kohlenstofffasern 45 1.2.3.5 Kohlenstoffnanoröhren − CNT 45 1.2.3.6 Metallfasern und metallisierte Fasern 46 1.2.4 Modifikation von Chemiefaserstoffen 47 1.3 Reißfasern 48 1.3.1 Das Ausgangsmaterial Textilabfall 49 1.3.2 Der Reißprozess 50 1.3.2.1 Materialvorbehandlung 51 1.3.2.2 Die Strukturauflösung 51 1.3.2.3 Nachbehandlung 53 1.3.3 Reißfaserqualität 54 1.3.3.1 Charakterisierung der Reißfaserqualität 55 1.3.3.2 Beeinflussung der Reißfaserqualität bei der Reißfaserherstellung 56 1.3.4 Reißfasereinsatz 57 2 Andere Rohstoffe 61 2.1 Fluff-Zellstoff 61 2.2 Granulate 62 2.2.1 Allgemeine Betrachtung der physikalischen Eigenschaften 63 2.2.1.1 Polyolefine 66 2.2.1.2 Polyester 68 2.2.1.3 Polyamide 69 2.3 Pulver 70 2.3.1 Polymerpulver 71 2.3.1.1 Polyacrylnitril 71 2.3.1.2 Additive 72 2.3.1.3 Stabilisatoren 73 2.4 Superabsorber 76 2.4.1 Absorptionsmechanismus 76 2.4.2 Herstellungsverfahren 77 2.4.2.1 Suspensionspolymerisation 77 2.4.2.2 Lösungspolymerisation 77 2.4.2.3 Nachvernetzung 78 2.4.2.4 Permeabilität 79 2.4.3 Testmethoden 79 2.4.3.1 Produktkenndaten 80 2.4.3.2 Märkte und Anwendungen 81 2.4.3.3 Zusammenfassung 82 2.5 Präparationen 83 2.5.1 Allgemeines 83 2.5.1.1 Definitionen 83 2.5.1.2 Anforderungen an Präparationen 84 2.5.1.3 Zusammensetzungen von Präparationen 85 2.5.2 Aufbringung von Präparationen 86 2.5.2.1 Chemiefaserherstellung 86 2.5.2.2 Verarbeitung 86 2.5.3 Prüfmethoden 87 2.5.3.1 Prüfungen am Präparationsmittel 87 2.5.3.2 Prüfungen am präparierten Fasermaterial 88 2.5.4 Präparationen auf Vliesstoffen 89 2.5.4.1 Allgemeines 89 2.5.4.2 Vliesstoffherstellung und Präparation 90 2.5.4.3 Endprodukt und Präparation 91 2.5.4.4 Spinnvliesstoffe und Präparationen 91 2.5.5 Ausblick 92 3 Bindemittel 97 3.1 Einleitung 97 3.2 Bindeflüssigkeiten 99 3.2.1 Anwendungsbereiche für Latex 99 3.2.2 Latex − Herstellung, Zusammensetzung, Typen 100 3.2.2.1 Übersicht 100 3.2.2.2 Latex-Herstellung 100 3.2.2.3 Latex-Bestandteile 101 3.2.2.4 Latex-Produktklassen für die Vliesverfestigung 102 3.2.2.5 Nanoteilchen 103 3.2.3 Filmbildung 104 3.2.3.1 Modellvorstellung 104 3.2.3.2 Interdiffusion, Vernetzung, Adhäsion 105 3.2.4 Vliesverfestigung mittels Latexflotte 106 3.2.4.1 Die Latexflotte als modifizierter Latex 106 3.2.4.2 Filmbildung bei der Vliesverfestigung 107 3.2.4.3 Unterscheidungsmerkmale für Latizes 109 3.2.5 Qualitätsaspekte 110 3.2.5.1 Latex und Latexflotte 110 3.2.5.2 Film 110 3.2.5.3 Vliesstoff 110 3.3 Bindefasern 111 3.3.1 Lösliche Fasern 111 3.3.2 Schmelzbindefasern 111 3.3.2.1 Aufmachungsformen 113 3.3.2.2 Chemischer Aufbau 113 3.3.2.3 Funktionsweise 115 3.3.2.4 Eigenschaften 116 II Herstellungsverfahren für Vliesstoffe 119 4 Trockenverfahren 123 4.1 Faservliese 123 4.1.1 Faservorbereitung 123 4.1.1.1 Ballenvorlage 124 4.1.1.2 Öffnen 125 4.1.1.3 Dosieren 127 4.1.1.4 Mischen 128 4.1.1.5 Speisevlies bilden 130 4.1.1.6 Anlagen 133 4.1.2 Faservliese nach dem Kardierverfahren 136 4.1.2.1 Krempeltheorie 137 4.1.2.2 Anlagentechnik 144 4.1.2.3 Vliesbildung 147 4.1.2.4 Die Vliesstreckung 155 4.1.3 Faservliese nach aerodynamischen Verfahren 158 4.1.3.1 Das Airlay-Verfahren 159 4.1.3.2 Das Airlaid-Verfahren 168 4.1.3.3 Sonderverfahren 171 4.1.4 Faservliesstoffe mit senkrechter Faserlage 171 4.1.4.1 Vibrationssenkrechtleger 172 4.1.4.2 Rotationssenkrechtleger 173 4.1.4.3 Verfestigung senkrecht gelegter Faservliese 173 4.2 Extrusionsvliesstoffe 175 4.2.1 Einleitung 175 4.2.2 Polymereinsatz 176 4.2.2.1 Polymere für das Schmelzspinnen (Filament-Spinnvliesverfahren) 176 4.2.2.2 Polymere für das Schmelzspinnen (Meltblown-Verfahren) 179 4.2.2.3 Polymere für das Lösungsspinnen 180 4.2.2.4 Additive für die Funktionalisierung 180 4.2.3 Grundsätzliches zur Verfahrenstechnik und -technologie 182 4.2.4 Verfahren zur Herstellung von Spinnvliesstoffen und Spinnvlies-Verbundstoffen 188 4.2.4.1 Schmelzspinnverfahren 188 4.2.4.2 Lösungsspinnverfahren 202 4.2.5 Vliesverfestigung 205 4.2.5.1 Thermische Verfestigung 206 4.2.5.2 Mechanische Verfestigung 209 4.2.5.3 Chemische Verfestigung 212 4.2.5.4 Flächenreckung 213 4.2.6 Spinnvliestechnologien in den Submikrometerbereich 213 4.2.6.1 Elektrostatik-Spinnvliesverfahren 214 4.2.6.2 Zentrifugenspinnen 216 4.2.7 Verfahren zur Herstellung von Foliefaser-Vliesstoffen 216 5 Nassverfahren 229 5.1 Verfahrensprinzip 230 5.2 Rohstoffe und Faservorbereitung 230 5.2.1 Spezielle Faserrohstoffaspekte 231 5.2.2 Faserstoffarten 232 5.2.3 Bindemittel 232 5.2.4 Pumpen 234 5.3 Aufbau von Nassvliesanlagen 234 5.3.1 Anlagen zur Herstellung von Teebeutelpapieren 235 5.3.1.1 Stoffaufbereitung für einlagige Produkte 235 5.3.1.2 Stoffaufbereitung für mehrlagige Produkte 237 5.3.2 Anlagen zur Herstellung von Filterpapieren 238 5.3.3 Vliesbildung 239 5.3.3.1 Erste Entwicklungsschritte auf einer Nassvlies-Laboranlage 239 5.3.3.2 Weitere Schritte auf einer Nassvlies-Pilotanlage 239 5.3.4 Verfestigen der Vliesstoffbahn 246 5.3.4.1 Zugabe von Bindefasern bzw. BiCo-Fasern 246 5.3.4.2 Zugabe von Bindemitteldispersionen in der Masse 246 5.3.4.3 Bindemittelzugabe auf die Vliesstoffbahn 246 5.3.4.4 Aufgießen der Binderdispersion 247 5.3.4.5 Schaumimprägnierung 247 5.3.4.6 Leimpresse / Imprägnierpresse / Filmpresse 247 5.3.4.7 Pressen 247 5.3.5 Vliestrocknung 247 5.3.5.1 Zylindertrocknung 248 5.3.5.2 Durchströmtrockner 248 5.3.5.3 Kanaltrockner 248 5.3.5.4 Strahlungstrocknung 249 5.3.6 Aufrollung 249 5.4 Verfahren zur Herstellung von Spinnvliesstoffen aus natürlichen Polymeren 249 6 Vliesverfestigung 255 6.1 Vernadelungsverfahren 255 6.1.1 Einfluss des Vliesbildungsverfahrens 256 6.1.2 Vernadelungsprinzip 259 6.1.2.1 Nadelbalkensystem 259 6.1.2.2 Einstichtechnologie 260 6.1.2.3 Einstichtiefe 261 6.1.2.4 Niederhalterstellung 261 6.1.2.5 Einstichdichte 267 6.1.3 Vlieszufuhr und Vorvernadelung 270 6.1.4 Vernadelungszone 271 6.1.4.1 Nadelbild 272 6.1.5 Vliesabzug 274 6.1.5.1 Positiver Vliestransport 274 6.1.5.2 Nadelvliesverstreckung 279 6.1.6 Arten der Nachvernadelung 282 6.1.6.1 Beidseitig alternierend 283 6.1.6.2 Beidseitig simultan 283 6.1.6.3 Vernadelungslinie 283 6.1.6.4 Vernadeln mehrschichtiger Vliese 284 6.1.6.5 Hochleistungsvernadelung 285 6.1.7 Papiermaschinenbespannungen (PMF) 290 6.1.7.1 PMF-Vorvernadelung 290 6.1.7.2 PMF-Endvernadelung 290 6.1.7.3 BELTEX-Verfahren 292 6.1.8 Modifizierte Vernadelungstechniken 293 6.1.8.1 Rundvernadelungsverfahren 293 6.1.8.2 Schrägvernadelungsverfahren 294 6.1.9 Einflussparameter für Nadelvliesstoffeigenschaften 296 6.1.9.1 Vernadelungsparameter 297 6.1.10 Oberflächenstrukturierung 307 6.1.10.1 Strukturierung mit positivem Vliestransport 309 6.1.11 Nadelcharakteristik 311 6.1.11.1 Filznadelgruppen 311 6.2 Maschenbildungsverfahren 318 6.2.1 Verfahrenssystematik 320 6.2.1.1 Vlies-Nähwirkverfahren 321 6.2.1.2 Faser-Vlieswirkverfahren 327 6.2.1.3 Polfaser-Vlieswirkverfahren mit Grundbahn 332 6.2.1.4 Polfaser-Vlieswirkverfahren ohne Grundbahn 334 6.2.1.5 Maschen-Vlieswirkverfahren 336 6.2.2 Kettenwirken 338 6.2.3 Stricken 339 6.3 Verwirbelungsverfahren 340 6.3.1 Verfahrensentwicklung 340 6.3.1.1 Physikalische Grundlagen 343 6.3.1.2 Verwirbelungsvorgang 345 6.3.1.3 Wirbelvliesstoffe 348 6.3.2 Faserstoff- und Prozesseinflüsse 349 6.3.2.1 Faserstoffeinflüsse 349 6.3.2.2 Prozesseinflüsse 351 6.3.3 Verfestigungsanlagen 352 6.3.4 Vliesverfestigung mit Dampfstrahlen 357 6.4 Thermische Verfahren 359 6.4.1 Trocknung 359 6.4.1.1 Konvektionstrocknung 360 6.4.1.2 Kontakttrocknung 373 6.4.1.3 Strahlungstrocknung 374 6.4.2 Heißluftverfestigung 375 6.4.2.1 Grundsätzliches 375 6.4.2.2 Verfahrenstechnik 377 6.4.2.3 Anlagentechnik 380 6.4.3 Thermofixierung 382 6.4.4 Thermische Kalanderverfestigung (Thermobonding Prozess) 385 6.4.4.1 Verfahrenstechnik 385 6.4.4.2 Anlagentechnik 389 6.4.5 Ultraschall-Verfestigung 391 6.4.5.1 Definition Ultraschall 391 6.4.5.2 Systemkomponenten 392 6.4.5.3 Funktionsprinzip 393 6.4.5.4 Vorteile des Ultraschallverfahrens 394 6.5 Chemische Verfahren 395 6.5.1 Adhäsion und Kohäsion 395 6.5.2 Kohäsive Verfestigung 397 6.5.3 Adhäsive Verfestigung 397 6.6 Verbundstoffe 398 6.6.1 Vliesverbundstoffe 398 6.6.1.1 Aus Schichten aufgebaute Vliesverbundstoffe 398 6.6.1.2 Durch Fadenschlingen verstärkte Vliesverbundstoffe 398 6.6.1.3 Verfahrensvarianten 399 6.6.1.4 Verbinden durch Vernadeln 399 6.6.1.5 Verbinden durch Nähwirken 405 6.6.1.6 Verbinden durch Verwirbeln 405 6.6.1.7 Verbinden durch Verkleben 406 6.6.2 Vliesstoffe für Verbundwerkstoffe 409 7 Mechanische und chemische Ausrüstung von Vliesstoffen 417 7.1 Schrumpfen 417 7.1.1 Entstehen und Beseitigung von Verzügen 417 7.1.2 Gewolltes Schrumpfen 417 7.2 Stauchen und Kreppen 417 7.2.1 Stauchen – das Clupakverfahren 418 7.2.2 Kreppen – das Micrexverfahren 418 7.3 Glätten, Kalandern, Pressen 418 7.3.1 Glätt- bzw. Rollkalander 418 7.3.2 Präge- oder Gaufrierkalander 418 7.3.3 Muldenpressen 419 7.3.4 Formpressen, Stanzen 419 7.4 Perforieren, Schlitzen, Brechen 419 7.4.1 Perforieren 419 7.4.2 Schlitzen 420 7.4.3 Brechen 420 7.5 Spalten, Schleifen, Velourieren, Scheren, Rauen 420 7.5.1 Spalten 420 7.5.2 Schleifen, Velourieren 420 7.5.3 Scheren, Rauen 421 7.6 Sengen 421 7.7 Nähen, Steppen, Schweißen 421 7.7.1 Nähen und Steppen 421 7.7.2 Ultraschallschweißen 421 7.7.3 Hochfrequenzschweißen 422 7.7.4 Plasma- und Coronabehandlungen 422 7.8 Sonstige mechanische Ausrüstungsverfahren 423 7.9 Waschen 423 7.10 Färben 424 7.10.1 Flocke- und Spinnfärbung 424 7.10.2 Färben und Binden 424 7.10.3 Nachträgliches Färben 424 7.10.4 Verschiedene Färbemethoden 425 7.10.5 Kaltverweilverfahren 425 7.10.6 Kontinuefärben 425 7.11 Drucken 425 7.11.1 Drucken von Leichtvliesstoffen 426 7.11.2 Drucken schwerer Vliesstoffe (Fußbodenbeläge) 426 7.11.3 Spritz-, Tintenstrahl-, Inkjetdruck 426 7.11.4 Transferdruck 427 7.12 Appretieren, Weichmachen, Spezialeffekte 427 7.12.1 Maschinelle Gegebenheiten und Möglichkeiten 428 7.12.2 Steifappreturen 428 7.12.3 Weichmachen 429 7.12.4 Antistatische Ausrüstung 429 7.12.5 Schmutzabweisende Ausrüstung 430 7.12.6 Hydrophobieren, Oleophobieren 430 7.12.7 Hygieneausrüstung, Kosmeto- und Wellnesstextilien 430 7.12.8 Flammfestausrüstung 431 7.12.9 Saugfähige und wasserbindende Ausrüstung 431 7.12.10 Staubbindende Behandlung 432 7.13 Beschichten 433 7.13.1 Beschichtungsverfahren 433 7.13.1.1 Pflatschen 433 7.13.1.2 Beschichten durch Tiefdruck 433 7.13.1.3 Beschichten durch Rotationsdruck 433 7.13.1.4 Streichen oder Rakeln 434 7.13.1.5 Extrudieren 434 7.13.1.6 Berührungsloses Beschichten 434 7.13.1.7 Umkehrverfahren (Release-Coating) 434 7.13.2 Beschichtungseffekte 435 7.13.2.1 Rutschfestausrüstung 435 7.13.2.2 Verformbare Beschichtung 435 7.13.2.3 Selbstklebebeschichtung 435 7.13.2.4 Schaumbeschichtung 436 7.13.2.5 Selbstliegebeschichtung 437 7.13.2.6 Mikroporöse Beschichtung 437 7.13.2.7 Drainagebeschichtung 438 7.13.2.8 Heißsiegelbeschichtung 438 7.14 Kaschieren 440 7.14.1 Nasskaschierung 440 7.14.2 Trockenkaschierung 440 7.14.2.1 Anwendung von Klebevliesstoffen 441 7.14.3 Beispiele für Kaschierungen 441 7.15 Beflocken 441 7.16 Neue Verfahren und Produkte 442 7.16.1 Ökologie und Ökonomie 443 III Konfektionen von Vliesstoffen 449 8 Konfektion von Fertigprodukten 451 8.1 Begriffe und Definitionen 451 8.2 Produktentwicklung 453 8.2.1 Produktentwicklung für Bekleidungstextilien 453 8.2.2 Produktentwicklung für Wohn- und Heimtextilien 457 8.2.3 Produktentwicklung für technische Textilien 457 8.3 Produktionsvorbereitung 458 8.4 Produktion 460 8.4.1 Legen der Stofflagen 460 8.4.2 Zuschnitt 462 8.4.2.1 Konventionelle Zuschnitttechnik 463 8.4.2.2 Automatische Zuschnittanlagen 465 8.4.3 Verbindungsprozess und Montage 467 8.4.4 Bügeln 474 8.5 Verpacken 475 8.6 Mechanisierung und Automatisierung 476 IV Eigenschaften und Anwendung der Vliesstoffe 479 9 Hygieneerzeugnisse 481 9.1 Inkontinenzprodukte (Windeln) 482 9.2 OP-Textilien 484 9.3 Bereichs- und Berufsbekleidung 485 9.4 Antimikrobiell ausgerüstete Vliese 485 9.5 Damenhygieneprodukte (Binden, Tampons) 486 10 Vliesstoffe für Medizin 489 10.1 Gesetzliche Grundlagen 489 10.2 Einwegtextilien oder Mehrwegtextilien 490 10.3 Vliesstoffe für Medizinprodukte 491 10.4 Weiterentwicklung 492 11 Vliesstoffe für Reinigungsprodukte und Oberflächenpflege 493 11.1 Marktsituation 494 11.2 Nass- und Feuchtreinigungsprodukte 494 11.2.1 Bodentücher und Materialien für Bodenreinigungssysteme 496 11.2.2 Wischtücher (Mehrweg) 497 11.2.3 Einwegtücher (Disposables) 497 11.2.3.1 Trockene Staubentfernung am Boden mit Einwegtüchern 497 11.2.3.2 Feuchte Reinigung am Boden mit Einwegtüchern 498 11.2.3.3 Spezielle Oberflächenreinigungsverfahren mit Einwegtüchern 498 11.2.4 Syntheseleder-Tücher 498 11.3 Trocken- und Feuchtreinigungsprodukte 499 11.3.1 Mikrofaservliesstoffe 499 11.3.2 Polyvinylalkohol-Vliesstoffprodukte 500 11.3.3 Imprägnierte Tücher 501 11.4 Scheuermedien 501 11.4.1 Topfreiniger, Scheuerschwämme und -pads 501 11.4.2 Bodenreinigungsscheiben 502 12 Vliesstoffe für Heimtextilien 505 12.1 Vliesstoffe in Polstermöbeln 505 12.2 Vliesstoffe in Matratzen 507 12.3 Vliesstoffe in Fußbodenbelägen 508 12.4 Vliesstoffe als Dekorationsmaterialien 510 12.5 Tuftingträger 512 12.5.1 Gegenüberstellung der zwei unterschiedlichen Flächenkonstruktionen 513 12.5.2 Definition der an den Träger gestellten Anforderungen 514 13 Vliesstoffe für Bekleidung 517 13.1 Einlagevliesstoffe 517 13.1.1 Einleitung 517 13.1.2 Geschichte der Einlagevliesstoffe 517 13.1.3 Funktionen von Einlagevliesstoffen 518 13.1.3.1 Einlagestoffe zur Formgebung und Formunterstützung 519 13.1.3.2 Einlagevliesstoff zur Stabilisierung und/oder Versteifung 519 13.1.3.3 Einlagevliesstoff zur Volumengebung 519 13.1.4 Eigenschaften der Einlagevliesstoffe 519 13.1.5 Funktionsträger der Einlagevliesstoffe 521 13.2 Vliesstoffe für Schutzkleidung 521 13.2.1 Anforderungen an Schutzkleidung 522 13.2.2 Chemikalien/Aerosol/Staubschutz-Bekleidung 524 13.2.3 Nässe- und Kälteschutzbekleidung 527 13.2.4 Hitzeschutzbekleidung 528 13.3 Trägervliesstoffe für Schuhe 529 14 Vliesstoffe für technische Anwendungen 539 14.1 Isolation 539 14.1.1 Feuer, Wärme, Schall 539 14.1.1.1 Isolation gegen Feuer/Hitze 539 14.1.1.2 Wärmeisolierung 542 14.1.1.3 Schallisolation 546 14.1.2 Vliesstoffanwendungen in der Elektrotechnik 548 14.1.3 Kabelummantelung 553 14.1.3.1 Allgemeines 553 14.1.3.2 Klebebänder aus Maliwatt 554 14.1.3.3 Klebebänder aus Malivlies 555 14.1.3.4 Klebebänder aus Kunit-Multiknit 556 14.2 Filtration 557 14.2.1 Trockenfiltration 562 14.2.1.1 Allgemeines 562 14.2.1.2 Funktionelle Anforderungen, Eigenschaften 565 14.2.1.3 Oberflächenfilter 566 14.2.1.4 Tiefenfilter 569 14.2.2 Flüssigkeitsfiltration 573 14.2.2.1 Flüssigkeitsfilter auf Vliesstoffbasis 575 14.2.2.2 Bauarten für Flüssigkeitsfilter 577 14.3 Bauwesen 579 14.3.1 Geovliesstoffe 579 14.3.1.1 Grundlagen 579 14.3.1.2 Funktionen und Anforderungen 581 14.3.1.3 Anwendungsfälle für Vliesstoffe 584 14.3.2 Dachbahnen 588 14.3.2.1 Einleitung 588 14.3.2.3 Eingesetzte Polyestervliesstoffe 589 14.3.2.4 Herstellung von Dachbahnen / Bitumierung 589 14.3.2.5 Entwicklungstrends 590 14.3.2.6 Recycling von Dachbahnen 590 14.4 Landwirtschaft 591 14.4.1 Einleitung 591 14.4.2 Anforderungen an Agrarvliesstoffe 591 14.4.3 Technologische Verfahren 592 14.4.4 Anwendungsbeispiele 592 14.4.5 Markttendenz 594 14.5 Fahrzeugindustrie 595 14.5.1 Markt 595 14.5.2 Automobilindustrie 596 14.5.2.1 Eigenschaftsanforderungen 600 14.5.2.2 Sitzpolster, Laminiervliesstoffe, Verkleidungsteile 605 14.5.2.3 Schall- und Wärmeisolation im Automobil 609 14.5.2.4 Synthetische Filtermedien für den mobilen Einsatz 613 14.5.3 Flugzeugindustrie, Schiffsbau, Eisenbahn 619 14.5.4 Ausblick 620 14.6 Papiermaschinenbespannungen 620 14.7 Simulation von Vliesstoffeigenschaften 624 14.7.1 Generierung virtueller Vliesstoffe 625 14.7.2 Eigenschaftsberechnung 626 14.7.2.1 Geometrische Charakterisierung 626 14.7.2.2 Strömungseigenschaften 626 14.7.2.3 Filtrationseigenschaften 627 14.7.2.4 Optimierung von Vliesstoffeigenschaften 628 14.7.3 Zukünftige Entwicklungen 628 15 Verwertung von Vliesstoffen 639 15.1 Produktionsabfälle aus der Vliesstoffherstellung 639 15.2 Vliesstoffabfälle nach dem Gebrauch 641 15.2.1 Einwegprodukte 641 15.2.2 Dauerhafte Produkte 641 15.3 Verwertungsmöglichkeiten für Vliesstoffabfälle 642 15.3.1 Mechanische Verfahren zur Faserrückgewinnung 642 15.3.2 Regranulierung 642 15.3.3 Herstellung von Textilschnitzeln und deren Verwendungsmöglichkeiten 643 15.3.4 Verarbeitung von Vliesstoffrandstreifen auf KEMAFIL®-Maschinen 644 15.3.5 Zweitverwertung von Vliesstoffabfällen 644 V Richtlinien und Prüfverfahren für Vliesrohstoffe und Vliesstoffe 647 16 Prüfverfahren 649 16.1 Allgemeine Grundlagen 649 16.1.1 Probenahme und Statistik 649 16.1.2 Prüfklima 650 16.1.3 Normen und Richtlinien 650 16.2 Vliesrohstoffe 651 16.2.1 Fasern 651 16.2.1.1 Faserstoffanalyse 651 16.2.2 Granulate 655 16.2.3 Bindemittel 656 16.3 Vliesstoffe 657 16.3.1 Textilphysikalische Prüfungen 657 16.3.2 Prüfung von Echtheiten 667 16.3.3 Prüfung des Brennverhaltens 674 16.3.4 Prüfung des Pflegeverhaltens 679 16.3.5 Humanökologische Prüfungen 680 16.4 Einsatzbezogene Prüfverfahren 683 16.4.1 Hygiene- und Medizinerzeugnisse 683 16.4.2 Reinigungstücher und Haushalterzeugnisse 684 16.4.3 Heimtextilien 684 16.4.4 Schutzkleidung 685 16.4.5 Filterstoffe 687 16.4.6 Geovliesstoffe 692 17 Qualitätsüberwachungs- und Qualitätssicherungssysteme für Produkte, Maschinen und Anlagen 699 18 Ausblick auf die zukünftige Entwicklung der Vliesstoffindustrie 711 Index 717

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Book SynopsisWritten by one of the top scientists in this field, this is a systematic overview of the fundamental concepts and powerful applications. The author presents the central theories and mechanisms in electron transfer, followed by several systems in nature where this is important, while also covering modern green applications. An invaluable resource for graduate students and researchers working in this field in academia and industry. Table of ContentsAcknowledgments vii 1 Introduction 1 2 Marcus Theory of Electron Transfer 5 3 Photosynthetic Reaction Center Models 7 4 Electron Donor–Acceptor Dyads 11 5 Supramolecular Electron Transfer 25 5.1 Cation–Anion Binding 25 5.2 π-Complexes 35 5.3 Electron-Transfer Switching 46 5.4 Dendrimers 53 5.5 Supramolecular Solar Cells 55 6 Effects of Metal Ions on Photoinduced Electron Transfer 65 7 Photoredox Catalysis 69 7.1 Photocatalytic Oxygenation 69 7.2 Photocatalytic Oxibromination 77 7.3 Carbon—Carbon Bond Formation 77 7.4 DNA Cleavage 81 7.5 Anti-Markovnikov Hydroetherification 81 7.6 Photocatalytic Cycloaddition 83 7.7 Photocatalytic Hydrotrifluoromethylation 85 7.8 Photocatalytic Hydrogen Evolution 86 8 Hydrogen Storage 93 8.1 Interconversion Between Hydrogen and Formic Acid 95 8.2 Interconversion Between Hydrogen and NADH 101 8.3 Hydrogen Evolution from Alcohols 104 8.4 Hydrogen Evolution from Paraformaldehyde 107 9 Metal Ion-Coupled Electron Transfer (MCET) 109 9.1 MCET of O2 109 9.2 Binding Modes of Metal Ions 114 9.3 Self-Organized MCET 124 9.4 Accelerating and Decelerating Effects of Metal Ions 132 9.5 Driving Force Dependence of MCET Rate Constants 137 9.6 MCET Coupled with Hydrogen Bonding 143 9.7 MCET Catalysis 148 9.7.1 Hydride Transfer vs. Cycloaddition 148 9.7.2 Suproxode Disumutase (SOD) Models 152 9.8 MCET of Metal-Oxo Complexes 157 9.9 PCET of Metal-Oxo Complexes 162 9.10 Unified Mechanism of MCET and PCET of Metal-Oxo Complexes 165 9.11 MCET of Metal-Peroxo Complexes 169 10 Catalytic Reduction of O2 173 11 Catalytic Oxidation of H2O 181 12 Production of Hydrogen Peroxide from Water and Oxygen as a Solar Fuel 187 13 Production and Usage of Hydrogen Peroxide as a Solar Fuel in Seawater 193 14 Photosystem II Mimic 197 15 Conclusion and Perspective 201 References 203 Index 225

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Book SynopsisMedical Product Regulatory Affairs Hands-on guide through the jungle of medical regulatory affairs for every professional involved in bringing new products to market Based on a module prepared by the authors for an MSc course offered by the University of Limerick, Ireland, Medical Product Regulatory Affairs is a comprehensive and practical guide on how pharmaceutical and medical devices are regulated within the major global markets. The Second Edition builds on the success of the first with an even wider scope and full coverage of new EU regulations on the safe use of medical devices. Following a look at drug development, complete sections are devoted to national and EU regulatory issues, manufacturing license application and retention, and regulation in the USA. Other topics dealt with include CDER, CBER and marketing and manufacturing licenses, the ICH process and Good Laboratory/Clinical/ Manufacturing Practices. Medical Product Regulatory Affairs includes information on: Aims and structure of regulation, covering purpose and principles of regulation, national and EU legislative processes, and pharmacopeia Regulatory strategy, covering product development and manufacturing, market vigilance, quality assurance systems, personnel, and documentation Drug discovery and development, covering prescription status, physical properties, therapeutic use, and drug discovery, development, and delivery Non-clinical studies, covering non-clinical study objectives and timing, pharmacological and pharmacodynamic studies, and bioavailability and bioequivalence Clinical trials, covering trial protocol, monitoring of trials, trial master files, and FDA communications The wide coverage of different product types and the main global markets makes Medical Product Regulatory Affairs ideal for training courses on regulatory affairs in academia and industry. It is also a valuable reference for pharmacologists, bioengineers, pharma engineers, and students in pharmacy to familiarize themselves with the topic.Table of Contents1 The Aims and Structure of Regulations 1 1.1 Introduction 1 1.2 Purpose and Principles of Regulation 1 1.3 The Legal Framework for Regulation 3 1.3.1 National Legislative Process 3 1.3.2 EU Legislative Process 4 1.3.3 Working with Legal Texts 6 1.3.4 Guidance Documents 7 1.3.5 Pharmacopoeia 7 1.4 Basic Legislation 7 1.4.1 EU Legislation 7 1.4.2 US Legislation 12 1.5 Scope of the Legislation 15 1.6 Chapter Review 20 1.7 Further Reading 21 2 Regulatory Strategy 23 2.1 Chapter Introduction 23 2.2 Basic Regulatory Strategy 23 2.2.1 Product Development 23 2.2.2 Product Manufacture 23 2.2.3 Market Vigilance 24 2.3 Quality Assurance Systems 25 2.3.1 Personnel 25 2.3.2 Documentation 25 2.3.3 Facilities and Equipment 26 2.3.4 Corrective and Preventative Action 27 2.4 Validation 27 2.5 Regulatory Bodies 29 2.5.1 European Commission 29 2.5.2 The EMA 30 2.5.3 National Competent Authorities 32 2.5.4 Notified Bodies 34 2.5.5 The FDA 35 2.5.6 US Department of Agriculture (USDA) 39 2.5.7 Pharmacopoeia Authorities 39 2.6 International Harmonisation Bodies 40 2.7 International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use 41 2.7.1 VICH 43 2.7.2 The International Medical Device Regulators Forum (IMDRF) 43 2.8 Pharmaceutical Inspection Cooperation Scheme (PICS) 44 2.9 The World Health Organisation (WHO) 45 2.10 Chapter Review 45 2.11 Further Reading 46 3 Drug Discovery, Classification and Early Stage Development 47 3.1 Chapter Introduction 47 3.2 Drug Categorisation 47 3.2.1 Prescription Status 47 3.2.2 Physical Properties 48 3.2.3 Mode of Action 48 3.2.4 Therapeutic Use 49 3.3 Drug Discovery 51 3.3.1 Target Discovery and Validation 52 3.3.2 Lead Discovery, Validation and Optimisation 57 3.4 Drug Development 58 3.4.1 Manufacture and Control 59 3.5 Drug Delivery 59 3.5.1 Location 60 3.5.2 Drug Characteristics 60 3.5.3 Speed and Duration of Therapeutic Effect 62 3.5.4 Stability 63 3.6 Chapter Review 63 3.7 Further Reading 63 4 Non-clinical Studies 65 4.1 Chapter Introduction 65 4.2 Non-clinical Study Objectives and Timing 65 4.3 Pharmacological Studies 69 4.3.1 Pharmacodynamic Studies 70 4.3.2 Pharmacokinetic/Toxicokinetic Studies 72 4.4 Bioavailability and Bioequivalence 73 4.5 Toxicology Studies 74 4.5.1 Toxicity Studies 74 4.5.2 Genotoxicity Studies 75 4.5.3 Carcinogenicity Studies 76 4.5.4 Reproductive Toxicology Studies 76 4.6 Chemistry, Manufacturing and Control Development (CMC) 77 4.7 Quality by Design (QbD) 77 4.8 Quality of Biotech Products 78 4.8.1 Stability Studies 78 4.9 Good Laboratory Practice (GLP) 78 4.10 Chapter Review 80 4.11 Further Reading 83 5 Clinical Trials 85 5.1 Chapter Introduction 85 5.2 Clinical Trials 85 5.2.1 Phase I Trials 86 5.2.2 Phase II Trials 86 5.2.3 Phase III Trials 87 5.3 Clinical Trial Design 88 5.4 Good Clinical Practice 90 5.5 Clinical Trials in the EU 90 5.5.1 Sponsor 93 5.5.2 Investigator’s Brochure (IB) 93 5.5.3 Investigator 94 5.5.4 Trial Protocol 94 5.5.5 Investigational Medicinal Product Dossier (IMPD) 94 5.5.6 Informed Consent 94 5.5.7 Manufacture of Investigational Medicinal Product 95 5.5.8 Clinical Trial Authorisation 95 5.5.9 Independent Ethics Committee Opinion 96 5.5.10 Amendments to Clinical Trials 97 5.5.11 Case Report Forms (CRFs) 97 5.5.12 Adverse Event Reporting 97 5.5.13 Annual Safety Report 98 5.5.14 Monitoring of Trials 98 5.5.15 End of Trial 98 5.5.16 Trial Master File 98 5.6 Clinical Trials in the US 100 5.6.1 Investigational New Drug Application (IND) 100 5.6.2 Institutional Review Board (IRB) 103 5.6.3 Communication with the FDA 104 5.6.4 Labelling of Investigational Drugs 105 5.6.5 Registry of Clinical Trial Information 105 5.7 Chapter Review 105 5.8 Further Reading 106 6 Marketing Authorisation 109 6.1 Chapter Introduction 109 6.2 The Application Dossier 109 6.3 CTD 110 6.3.1 Module Structure 112 6.3.2 Module 3 – Quality 113 6.3.3 Drug Master Files 116 6.3.4 Module 4 – Non-clinical Study Reports 116 6.3.5 Module 5 – Clinical Study Reports 116 6.3.6 Module 2 – Summaries 118 6.3.7 Module I – Region Specific 120 6.3.8 Module 1 – EU 121 6.3.9 Module 1 – US 123 6.4 Submission and Review Process in the EU 127 6.4.1 Union Authorisation 128 6.4.2 Scientific Evaluation Process 129 6.4.3 Decision Making Process 130 6.4.4 National Authorisations 132 6.4.5 Decentralised Procedure 132 6.4.6 Mutual Recognition Procedure 134 6.4.7 Plasma Master Files and Vaccine Antigen Master Files 134 6.5 Submission and Review Process in the US 134 6.6 Chapter Review 138 6.7 Further Reading 138 7 Authorisation of Veterinary Medicines 139 7.1 Chapter Introduction 139 7.2 Overview of Development Process for Veterinary Medicines 139 7.2.1 Pre-clinical Studies 140 7.2.2 Clinical Trials 141 7.2.3 Good Clinical Practices 141 7.3 Authorisation of Clinical Trials in the EU 145 7.4 Authorisation of Clinical Trials in the US 146 7.5 Maximum Residue Limits (MRLs) 147 7.6 Authorisation of Veterinary Medicines in the EU 149 7.6.1 Applications to Establish MRLs 149 7.6.2 Review of Applications and Establishment of MRLs 152 7.6.3 Marketing Authorisations 156 7.6.4 Presentation of the Dossier 156 7.7 Approval of Veterinary Medicines in the US 158 7.7.1 New Animal Drug Application (NADA) 158 7.7.2 Approval of Veterinary Biological Products 163 7.8 Chapter Review 164 7.9 Further Reading 164 8 Variations to the Drug Authorisation Process 165 8.1 Chapter Introduction 165 8.2 Provisions in Support of Special Drug Applications 165 8.2.1 Orphan Drugs 165 8.2.2 Paediatric Applications 167 8.3 Accelerated Access to New Drug Therapies 170 8.3.1 EMA Accelerated Review and Conditional Marketing Routes 170 8.3.2 EU Compassionate Use 171 8.3.3 Expedited Pathways in the US 171 8.3.4 Expanded Access and Emergency Use Authorization (EUA) 174 8.4 Approval of New Drugs When Human Efficacy Studies Are Not Ethical or Feasible 175 8.5 Animal Drugs for Minor Use and Minor Species 176 8.5.1 Conditional Approval 176 8.5.2 Indexing 176 8.5.3 Designation 176 8.6 Special Provisions to Facilitate Access to Drugs for Animal Treatment in the EU 177 8.7 Changes to an Authorised Drug 177 8.8 EU System for Processing Changes 177 8.8.1 Extension Applications 178 8.8.2 Major Variation (Type II) 178 8.8.3 Minor Variation (Type IA or IB) 179 8.9 Processing Changes in the US 179 8.9.1 Manufacturing Change Supplements 180 8.9.2 Major Changes 180 8.9.3 Moderate Changes 180 8.9.4 Minor Changes 181 8.10 Authorisation of Generic Drugs 181 8.10.1 EU Regulations 181 8.10.2 US Regulations 182 8.11 Biosimilars 183 8.11.1 EU Regulations 184 8.11.2 US Regulations 185 8.12 Reference Drug Exclusivity 189 8.13 Other Authorisation Procedures 191 8.13.1 Well-Established Medical Use Products 191 8.13.2 Combination Products 191 8.13.3 Homeopathic Medicines 192 8.13.4 Traditional Herbal Medicines 192 8.13.5 US Regulation of OTC Drugs 193 8.14 Chapter Review 193 8.15 Further Reading 194 9 Medical Devices 195 9.1 Chapter Introduction 195 9.2 Regulatory Strategy for Medical Devices in the EU 195 9.2.1 Use of Standards to Establish Conformity 200 9.2.2 Classification of Devices 201 9.3 Regulatory Strategy for Medical Devices in the US 210 9.3.1 Classification of Devices 210 9.3.1.1 Class I 211 9.3.1.2 Class II 211 9.3.1.3 Class III 211 9.3.2 Classification of New Devices 212 9.4 Development of Devices 212 9.4.1 Design Controls 213 9.4.2 Design and Development Planning 214 9.4.3 Design Input 214 9.4.4 Design Output 216 9.4.5 Design Verification and Design Validation 216 9.4.6 Design Review 217 9.4.7 Risk Analysis 218 9.4.8 Design Changes 218 9.5 Chapter Review 218 9.6 Further Reading 219 10 Authorisation of Medical Devices 221 10.1 Chapter Introduction 221 10.2 Evaluation of Medical Devices in Europe 221 10.2.1 Clinical Evaluation 221 10.2.2 Clinical Investigations 222 10.2.3 Performance Evaluation of IVDs 225 10.2.4 Performance Studies of IVDs 225 10.3 Evaluation of Medical Devices in the US 226 10.3.1 Exempted Investigations 227 10.3.2 Abbreviated Requirement Investigations 227 10.3.3 IDE Investigations 227 10.3.4 Labelling of Devices for Investigational Use 229 10.4 Placing of Devices on the Market in the EU 230 10.4.1 Designation of Notified Bodies 230 10.4.2 Conformity Assessment Procedures 232 10.4.2.1 Conformity Assessment Based on a Quality Management System and Assessment of Technical Documentation 233 10.4.2.2 EU Type-Examination 235 10.4.2.3 Production Quality Assurance 235 10.4.2.4 EU Verification 235 10.4.2.5 EU (Self) Declaration of Conformity 236 10.4.3 Technical Documentation 236 10.4.4 Labelling Requirements 236 10.4.5 Registration of Economic Operators and Devices 238 10.5 Placing of Devices on the Market in the US 238 10.5.1 510(k) Pre-market Notification 239 10.5.2 Traditional 510(k) 239 10.5.3 Abbreviated 510(k) 239 10.5.4 Special 510(k) 239 10.5.5 De Novo 510(k) 240 10.5.6 Notification and Review Procedures 240 10.5.7 Pre-market Approval (PMA) 240 10.5.8 Changes to a PMA-Approved Device 241 10.5.9 Humanitarian Use Devices (HUDs) 243 10.5.10 Labelling of Devices 243 10.6 Chapter Review 243 10.7 Further Reading 244 11 Good Manufacturing Practice (GMP) 245 11.1 Chapter Introduction 245 11.2 Drug GMP Regulations and Guidance 245 11.3 Essential GMP Requirements 248 11.3.1 Quality Assurance System 248 11.3.2 Personnel 248 11.3.3 Premises and Equipment 249 11.3.4 Documentation 257 11.3.5 Production 257 11.3.6 Quality Control 258 11.3.7 Work Contracted Out 259 11.3.8 Complaints, Product Recall and Emergency Un-blinding 259 11.3.9 Self-inspection 259 11.4 Validation 260 11.4.1 Facilities and Equipment Validation 261 11.4.2 Process Validation 262 11.4.3 Computer Systems Validation 262 11.4.4 Methods Validation 265 11.4.5 Cleaning Validation 266 11.4.6 Validation of Sterilisation Procedures 267 11.4.7 Water Purification System Validation 268 11.5 GMP Requirements for Devices 268 11.6 Chapter Review 273 11.7 Further Reading 273 12 Oversight and Vigilance 275 12.1 Chapter Introduction 275 12.2 Registration of Manufacturers and Other Entities 275 12.3 Manufacturing Authorisation of Medicinal Products in the EU 275 12.3.1 Wholesale Distribution of Medicinal Products 276 12.3.2 Registration of Economic Operators for Medical Devices on the EU market 278 12.4 Registration of Producers of Drugs and Devices in the US 278 12.5 Additional Licensing Requirements 279 12.6 Inspections 279 12.6.1 Inspection Techniques 280 12.6.2 Audit Findings and Consequences 286 12.7 Market Vigilance and Oversight of Drugs 289 12.7.1 Pharmacovigilance in the EU 289 12.7.2 Pharmacovigilance Risk Assessment Committee (PRAC) and the EudraVigilance System 290 12.7.3 Pharmacovigilance and Marketing Authorisation Holders 293 12.7.4 Pharmacovigilance Inspections and Audits 294 12.7.5 Renewal of Marketing Authorisations 295 12.7.6 Pharmacovigilance and Reporting in the US 295 12.7.7 Periodic Reports 296 12.8 Advertising and Promotion 297 12.9 Market Vigilance and Oversight of Devices 298 12.9.1 Market Vigilance in the EU 298 12.9.2 Medical Device Vigilance in the US 299 12.9.3 Medical Device Reporting 299 12.9.4 Reports of Corrections and Removals 300 12.9.5 Post-market Surveillance 302 12.10 Chapter Review 303 12.11 Further Reading 303 Index 305

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Book SynopsisThis updated and up-to-date version of the first edition continues with the really interesting stuff to spice up a standard biophysics and biophysical chemistry course. All relevant methods used in current cutting edge research including such recent developments as super-resolution microscopy and next-generation DNA sequencing techniques, as well as industrial applications, are explained. The text has been developed from a graduate course taught by the author for several years, and by presenting a mix of basic theory and real-life examples, he closes the gap between theory and experiment. The first part, on basic biophysical chemistry, surveys fundamental and spectroscopic techniques as well as biomolecular properties that represent the modern standard and are also the basis for the more sophisticated technologies discussed later in the book. The second part covers the latest bioanalytical techniques such as the mentioned super-resolution and next generation sequencing methods, confocal fluorescence microscopy, light sheet microscopy, two-photon microscopy and ultrafast spectroscopy, single molecule optical, electrical and force measurements, fluorescence correlation spectroscopy, optical tweezers, quantum dots and DNA origami techniques. Both the text and illustrations have been prepared in a clear and accessible style, with extended and updated exercises (and their solutions) accompanying each chapter. Readers with a basic understanding of biochemistry and/or biophysics will quickly gain an overview of cutting edge technology for the biophysical analysis of proteins, nucleic acids and other biomolecules and their interactions. Equally, any student contemplating a career in the chemical, pharmaceutical or bio-industry will greatly benefit from the technological knowledge presented. Questions of differing complexity testing the reader's understanding can be found at the end of each chapter with clearly described solutions available on the Wiley-VCH textbook homepage under: www.wiley-vch.de/textbooksTable of ContentsIntroduction: What is Biophysical Chemistry? - An Example from Drug Screening PART I: Basic Methods in Biophysical Chemistry BASIC OPTICAL PRINCIPLES Introduction What Does the Electronic Structure of Molecules Look Like? Orbitals, Wave Functions and Bonding Interactions How Does Light Interact with Molecules? Transition Densities and the Transition Dipole Moment Absorption Spectra of Molecules in Liquid Environments. Vibrational Excitation and the Franck-Condon Principle What Happens After Molecules have Absorbed Light? Fluorescence, Nonradiative Transitions and the Triplet State Quantitative Description of all Processes: Quantum Efficiencies, Kinetics of Excited State Populations and the Jablonski Diagram Problems OPTICAL PROPERTIES OF BIOMOLECULES Introduction Experimental Determination of Absorption and Fluorescence Spectra Optical Properties of Proteins and DNA Optical Properties of Important Cofactors BASIC FLUORESCENCE TECHNQUES Introduction Fluorescent Labelling and Linking Techniques Fluorescence Detection Techniques Fluorscence Polarization Anisotropy Forster Resonance Energy Transfer Fluorescence Kinetics Fluorescence Recovery after Photobleaching Biochemiluminescence CHIROPTICAL AND SCATTERING METHODS Chiroptical Methods Light Scattering Vibrational Spectra of Biomolecules MAGNETIC RESONANCE TECHNIQUES Nuclear Magnetic Resonance of Biomolecules Electron Paramagnetic Resonance MASS SPECTROMETRY Introduction MALDI-TOF ESI-MS Structural and Sequence Analysis Using Mass Spectrometry PART II: Advanced Methods in Biophysical Chemistry FLUORESCENCE MICROSCOPY Introduction Conventional Fluorescence Microscopy Total Internal Reflection Fluorescence Microscopy Light-Sheet Microscopy SUPER-RESOLUTION FLUORESCENCE MICROSCOPY Stimulated Emission Depletion (STED) Microscopy Photoactivated Localization Microscopy (PALM) and Stochastic Optical Reconstruction Microscopy (STORM) 3D Super-Resolution Fluorescence Microscopy Imaging of Live Cells Multicolour Super-Resolution Fluorescence Microscopy Structured Illumination Microscopy SOFI Final Comparison SINGLE-BIOMOLECULE TECHNIQUES Introduction Optical Single-Molecule Detection Fluorescence Correlation Spectroscopy Optical Tweezers Atomic Force Microscopy of Biomolecules Patch Clamping ULTRAFAST- AND NONLINEAR SPECTROSCOPY Introduction Nonlinear Microscopy and Spectroscopy Ultrafast Spectroscopy DNA SEQUENCING AND NEXT-GENERATION SEQUENCING METHODS Sanger Method Next-Generation Sequencing Methods SPECIAL TECHNIQUES Introduction Fluorescing Nanoparticles Surface Plasmon Resonance Detection DNA Origami DNA Microarrays Flow Cytometry Fluorescence In Situ Hybridization Microspheres and Nanospheres ASSAY DEVELOPMENT, READERS AND HIGH-THROUGHPUT SCREENING Introduction Assay Development and Assay Quality Microtitre Plates and Fluorescence Readers Application Example: Drug Discovery and High-Throughput Screening Index

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Book SynopsisCharge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.Table of ContentsPreface to the Fourth Edition xiii Preface to the Third Edition xv Preface to the Second Edition xvii Preface to the First Edition xix 1 Introduction 1 2 Electronic and Vibrational Molecular States 7 2.1 Introduction 7 2.2 Molecular Schrödinger Equation 9 2.3 Born–Oppenheimer Separation 11 2.3.1 Born–Oppenheimer Approximation 13 2.4 Electronic Structure Methods 15 2.4.1 The Hartree–Fock Equations 17 2.4.2 Density Functional Theory 19 2.5 Potential Energy Surfaces 21 2.5.1 Harmonic Approximation and Normal Mode Analysis 24 2.5.2 Operator Representation of the Normal Mode Hamiltonian 27 2.5.3 Construction of System–Bath Models 31 2.6 Adiabatic versus Diabatic Representation of the Molecular Hamiltonian 36 2.6.1 Adiabatic Picture 36 2.6.2 Diabatic Picture 37 2.6.3 Two-State Case 40 2.7 Condensed-phase Approaches 42 2.7.1 Dielectric Continuum Model 43 2.7.1.1 Medium Electrostatics 43 2.7.1.2 Reaction Field Model 47 2.7.2 Explicit Quantum-classical Solvent Model 49 2.8 Supplement 51 2.8.1 Franck–Condon Factors 51 2.8.2 The Two-level System 52 2.8.3 The Linear Molecular Chain and the Molecular Ring 55 References 57 Further Reading 57 3 Dynamics of Isolated and Open Quantum Systems 59 3.1 Introduction 60 3.2 Time-dependent Schrödinger Equation 66 3.2.1 Wave Packets 66 3.2.2 The Interaction Representation 69 3.2.3 Multidimensional Wave Packet Dynamics 71 3.3 The Golden Rule of Quantum Mechanics 75 3.3.1 Transition from a Single State into a Continuum 75 3.3.2 Transition Rate for a Thermal Ensemble 78 3.3.3 Green’s Function Approach 81 3.4 The Nonequilibrium Statistical Operator and the Density Matrix 84 3.4.1 The Density Operator 84 3.4.2 The Density Matrix 86 3.4.3 Equation of Motion for the Density Operator 88 3.4.4 Wigner Representation of the Density Operator 90 3.4.5 Dynamics of Coupled Multilevel Systems in a Heat Bath 93 3.5 The Reduced Density Operator and the Reduced Density Matrix 96 3.5.1 The Reduced Density Operator 96 3.5.2 Equation of Motion for the Reduced Density Operator 97 3.5.3 Mean-field Approximation 98 3.5.4 The Interaction Representation of the Reduced Density Operator 99 3.5.5 The Nakajima–Zwanzig Equation 101 3.5.6 Second-order Equation of Motion for the Reduced Density Operator 105 3.6 Quantum Master Equation 107 3.6.1 Markov Approximation 109 3.7 The Reservoir Correlation Function 112 3.7.1 General Properties of C uv (t) 112 3.7.2 Harmonic Oscillator Reservoir 114 3.7.3 The Spectral Density 116 3.7.4 Linear Response Theory for the Reservoir 120 3.7.5 Classical Description of C uv (t) 122 3.8 Reduced Density Matrix in Energy Representation 123 3.8.1 The Quantum Master Equation in Energy Representation 123 3.8.2 Multilevel Redfield Equations 126 3.8.2.1 Population Transfer: a = b, c = d 127 3.8.2.2 Coherence Dephasing: a ≠ b, a = c, b = d 129 3.8.2.3 Remaining Elements of R ab,cd 129 3.8.3 The Secular Approximation 130 3.8.4 State Expansion of the System–Reservoir Coupling 131 3.8.4.1 Some Estimates 132 3.9 Coordinate and Wigner Representation of the Reduced Density Matrix 133 3.10 The Path Integral Representation of the Density Matrix 135 3.11 Hierarchy Equations of Motion Approach 140 3.12 Coherent to Dissipative Dynamics of a Two-level System 143 3.12.1 Coherent Dynamics 143 3.12.2 Dissipative Dynamics Using Eigenstates 144 3.12.3 Dissipative Dynamics Using Zeroth-order States 147 3.13 Trajectory-based Methods 149 3.13.1 The Mean-field Approach 149 3.13.2 The Surface Hopping Method 152 3.14 Generalized Rate Equations: The Liouville Space Approach 155 3.14.1 Projection Operator Technique 156 3.14.2 Generalized Rate Equations 157 3.14.3 Rate Equations 159 3.14.4 The Memory Kernels 159 3.14.5 Second-order Rate Expressions 161 3.14.6 Fourth-order Rate Expressions 164 3.14.6.1 Three-level System with Sequential Coupling 165 3.15 Supplement 168 3.15.1 Thermofield Dynamics 168 3.15.2 Stochastic Schrödinger Equation 172 References 175 Further Reading 176 4 Interaction of Molecular Systems with Radiation Fields 177 4.1 Introduction 178 4.2 Absorption of Light 182 4.2.1 Linear Absorption Coefficient 182 4.2.2 Dipole–Dipole Correlation Function 184 4.3 Nonlinear Optical Response 186 4.3.1 Nonlinear Polarization 186 4.3.2 Nonlinear Response Functions 189 4.3.3 Eigenstate Expansion of the Response Functions 191 4.3.4 Cumulant Expansion of the Response Functions 194 4.3.5 Rotating Wave Approximation 197 4.3.6 Pump–Probe Spectroscopy 198 4.3.7 Two-dimensional Spectroscopy 202 4.4 Field Quantization and Spontaneous Emission of Light 206 References 208 Further Reading 209 5 Vibrational Dynamics: Energy Redistribution, Relaxation, and Dephasing 211 5.1 Introduction 211 5.2 Intramolecular Vibrational Energy Redistribution 215 5.2.1 Zeroth-order Basis and State Mixing 215 5.2.2 Golden Rule and Beyond 219 5.3 Intermolecular Vibrational Energy Relaxation 223 5.3.1 The System–Reservoir Hamiltonian 223 5.3.2 Instantaneous Normal Modes 226 5.3.3 Generalized Langevin Equation 228 5.3.4 Classical Force–Force Correlation Functions 231 5.3.5 Dissipative Dynamics of a Harmonic Oscillator 234 5.4 Polyatomic Molecules in Solution 237 5.4.1 System–Reservoir Hamiltonian 237 5.4.2 Higher Order Multiquantum Relaxation 238 5.5 Quantum–Classical Approaches to Relaxation and Dephasing 243 References 247 Further Reading 247 6 Intramolecular Electronic Transitions 249 6.1 Introduction 249 6.1.1 Optical Transitions 250 6.1.2 Internal Conversion Processes 255 6.2 The Optical Absorption Coefficient 255 6.2.1 Golden Rule Formulation 255 6.2.2 The Density of States 258 6.2.3 Absorption Coefficient for Harmonic Potential Energy Surfaces 260 6.2.4 Absorption Lineshape and Spectral Density 263 6.2.5 Cumulant Expansion of the Absorption Coefficient 264 6.2.6 Absorption Coefficient for Model Spectral Densities 266 6.3 Absorption Coefficient and Dipole–Dipole Correlation Function 269 6.3.1 Absorption Coefficient and Wave Packet Propagation 269 6.3.2 Absorption Coefficient and Reduced Density Operator Propagation 273 6.3.3 Mixed Quantum–Classical Computation of the Absorption Coefficient 275 6.4 The Emission Spectrum 280 6.5 Optical Preparation of an Excited Electronic State 281 6.5.1 Wave Function Formulation 281 6.5.1.1 Case of Short Pulse Duration 284 6.5.1.2 Case of Long Pulse Duration 284 6.5.2 Density Matrix Formulation 284 6.6 Internal Conversion Dynamics 286 6.6.1 The Internal Conversion Rate 287 6.6.2 Ultrafast Internal Conversion 288 6.7 Supplement 290 6.7.1 Absorption Coefficient for Displaced Harmonic Oscillators 290 References 294 Further Reading 294 7 Electron Transfer 295 7.1 Classification of Electron Transfer Reactions 295 7.2 Theoretical Models for Electron Transfer Systems 305 7.2.1 The Electron Transfer Hamiltonian 305 7.2.2 The Electron–Vibrational Hamiltonian of a Donor–Acceptor Complex 310 7.2.2.1 The Spin-Boson Model 312 7.2.2.2 Two Independent Sets of Vibrational Coordinates 313 7.2.3 Electron–Vibrational State Representation of the Hamiltonian 314 7.3 Regimes of Electron Transfer 315 7.3.1 Landau–Zener Theory of Electron Transfer 319 7.4 Nonadiabatic Electron Transfer in a Donor–Acceptor Complex 323 7.4.1 High-temperature Case 323 7.4.2 High-temperature Case: Two Independent Sets of Vibrational Coordinates 327 7.4.3 Low-temperature Case: Nuclear Tunneling 330 7.4.4 The Mixed Quantum–Classical Case 333 7.4.5 Description of the Mixed Quantum–Classical Case by a Spectral Density 335 7.5 Bridge-Mediated Electron Transfer 336 7.5.1 The Superexchange Mechanism 338 7.5.2 Electron Transfer Through Arbitrary Large Bridges 340 7.5.2.1 Case of Small Intrabridge Transfer Integrals 340 7.5.2.2 Case of Large Intrabridge Transfer Integrals 341 7.6 Nonequilibrium Quantum Statistical Description of Electron Transfer 343 7.6.1 Unified Description of Electron Transfer in a Donor–Bridge–Acceptor System 344 7.6.2 Transition to the Adiabatic Electron Transfer 347 7.7 Heterogeneous Electron Transfer 347 7.7.1 Nonadiabatic Charge Injection into the Solid State Described in a Single-Electron Model 348 7.7.1.1 Low-temperature Case 351 7.7.1.2 High-temperature Case 352 7.7.1.3 HET-induced Lifetime 352 7.7.2 Ultrafast Photoinduced HET from a Molecule into a Semiconductor. A Case Study 354 7.7.3 Nonadiabatic Electron Transfer from the Solid State into the Molecule 355 7.8 Charge Transmission Through Single Molecules 356 7.8.1 Inelastic Charge Transmission 359 7.8.1.1 An Example 360 7.8.2 Elastic Charge Transmission 361 7.8.2.1 An Example 364 7.8.2.2 Inclusion of Vibrational Levels 365 7.9 Photoinduced Ultrafast Electron Transfer 367 7.9.1 Quantum Master Equation for Electron Transfer Reactions 372 7.9.2 Rate Expressions 377 7.10 Supplement 378 7.10.1 Landau–Zener Transition Amplitude 378 7.10.2 The Multimode Marcus Formula 379 7.10.3 Second-order Electron Transfer Rate 380 7.10.4 Fourth-order Donor–Acceptor Transition Rate 382 7.10.5 Rate of Elastic Charge Transmission Through a Single Molecule 385 References 387 Further Reading 388 8 Proton Transfer 389 8.1 Introduction 389 8.2 Proton Transfer Hamiltonian 395 8.2.1 Hydrogen Bonds 395 8.2.2 Reaction Surface Hamiltonian for Intramolecular Proton Transfer 399 8.2.3 Tunneling Splittings 400 8.2.4 The Proton Transfer Hamiltonian in the Condensed Phase 404 8.2.4.1 Adiabatic Representation 405 8.2.4.2 Diabatic Representation 406 8.3 Adiabatic Proton Transfer 407 8.4 Nonadiabatic Proton Transfer 410 8.5 The Intermediate Regime: From Quantum to Quantum–Classical Hybrid Methods 412 8.5.1 Multidimensional Wave Packet Dynamics 413 8.5.2 Surface Hopping 415 8.6 Proton-coupled Electron Transfer 417 References 419 Further Reading 419 9 Excitation Energy Transfer 421 9.1 Introduction 421 9.2 The Aggregate Hamiltonian 427 9.2.1 The Intermolecular Coulomb Interaction 430 9.2.1.1 Dipole–Dipole Coupling 432 9.2.2 The Two-level Model 433 9.2.2.1 Classification of the Coulomb Interactions 433 9.2.3 Single and Double Excitations of the Aggregate 436 9.2.3.1 The Ground State Matrix Element 438 9.2.3.2 The Single Excited State Matrix Elements 438 9.2.3.3 The Double Excited State Matrix Elements 439 9.2.3.4 Off-Diagonal Matrix Elements and Coupling to the Radiation Field 440 9.2.3.5 Neglect of Intermolecular Electrostatic Coupling 441 9.2.4 Introduction of Delocalized Exciton States 441 9.2.4.1 The Molecular Heterodimer 443 9.2.4.2 The Finite Molecular Chain and the Molecular Ring 443 9.3 Exciton–Vibrational Interaction 444 9.3.1 Exclusive Coupling to Intramolecular Vibrations 445 9.3.2 Coupling to Aggregate Normal Mode Vibrations 448 9.3.3 Differentiating Between Intramolecular and Reservoir Normal Mode Vibrations 449 9.3.4 Exciton–Vibrational Hamiltonian and Excitonic Potential Energy Surfaces 449 9.4 Regimes of Excitation Energy Transfer 450 9.4.1 Quantum Statistical Approaches to Excitation Energy Transfer 452 9.5 Transfer Dynamics in the Case of Weak Excitonic Coupling: Förster Theory 453 9.5.1 The Transfer Rate 454 9.5.2 The Förster Rate 456 9.5.3 Nonequilibrium Quantum Statistical Description of Förster Transfer 458 9.5.3.1 Case of Common Vibrational Coordinates 462 9.5.3.2 Case of Vibrational Modulation of the Excitonic Coupling 464 9.6 Transfer Dynamics in the Case of Strong Excitonic Coupling 465 9.6.1 Rate Equations for Exciton Dynamics 465 9.6.2 Density Matrix Equations for Exciton Dynamics 466 9.6.3 Site Representation 468 9.6.4 Excitation Energy Transfer Among Different Aggregates 471 9.6.5 Exciton Transfer in the Case of Strong Exciton–Vibrational Coupling 472 9.6.6 Nonperturbative and Non-Markovian Exciton Dynamics 475 9.7 Optical Properties of Aggregates 477 9.7.1 Case of No Exciton–Vibrational Coupling 479 9.7.1.1 Static Disorder 481 9.7.2 Inclusion of Exciton–Vibrational Coupling 484 9.7.2.1 The n-Particle Expansion 484 9.7.2.2 Weak Exciton–Vibrational Coupling 487 9.7.2.3 Strong Exciton–Vibrational Coupling 488 9.8 Excitation Energy Transfer Including Charge-transfer States 490 9.8.1 Excitation Energy Transfer Via Two-electron Exchange 490 9.8.2 Charge-transfer Excitons and Charge Separation 493 9.9 Exciton–Exciton Annihilation 496 9.9.1 Three-level Description of the Molecules in the Aggregate 498 9.9.2 The Rate of Exciton–Exciton Annihilation 499 9.10 Supplement 500 9.10.1 Second Quantization Notation of the Aggregate Hamiltonian 500 9.10.2 Photon-mediated Long-range Excitation Energy Transfer 501 9.10.2.1 Preparatory Considerations for the Rate Computation 503 9.10.2.2 Photon Correlation Functions 505 9.10.2.3 The Rate of Photon-mediated Excitation Energy Transfer 506 9.10.2.4 Some Estimates 508 9.10.3 Fourth-order Rate of Two-electron-transfer-assisted EET 509 References 513 Further Reading 514 Index 515

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Book SynopsisAfter the great success now in its 2nd Edition: This textbook covers all aspects of catalysis, including computational methods, industrial applications and green chemistryTable of ContentsPreface xi 1 Introduction 1 1.1 Green Chemistry and Sustainable Development 1 1.1.1 What Is ‘Green Chemistry’? 2 1.1.2 Quantifying Environmental Impact: Efficiency, E-Factors, and Atom Economy 4 1.1.3 Just How ‘Green’ Is This Process? 6 1.1.4 Product and Process Life-Cycle Assessment (LCA) 10 1.2 What Is Catalysis and Why Is It Important? 12 1.2.1 Homogeneous Catalysis, Heterogeneous Catalysis, and Biocatalysis: Definitions and Examples 14 1.2.2 Connecting Catalysis and Sustainability: Saving Resources by Using Catalytic Cycles 20 1.2.3 Industrial Example: the BHC Ibuprofen Process 22 1.3 Tools in Catalysis Research 24 1.3.1 Catalyst Synthesis and Testing Tools 24 1.3.2 Catalyst Characterisation Tools 27 1.3.3 Modelling/Mechanistic Studies Tools 28 1.4 Exercises 30 References 38 Further Reading 41 2 The Basics of Catalysis 43 2.1 Catalysis Is a Kinetic Phenomenon 43 2.1.1 Reaction Rates, Reaction Orders, Rate Equations and Rate-Determining Steps 45 2.1.2 The Reaction Profile and the Reaction Coordinate 49 2.1.3 Zero-Order, First-Order and Second-Order Kinetics 52 2.1.4 Langmuir–Hinshelwood Kinetics 58 2.1.5 The Steady-State Approximation 61 2.1.6 Michaelis–Menten Kinetics 62 2.1.7 Consecutive and Parallel First-Order Reactions 66 2.1.8 Pre-equilibrium, ‘Catalyst Reservoirs’, and Catalyst Precursors 67 2.2 Practical Approaches in Kinetic Studies 70 2.2.1 Initial Reaction Rates and Concentration Effects 70 2.2.2 Creating Pseudo-Order Conditions 71 2.2.3 What You See vs. What You Get 72 2.2.4 Learning from Stoichiometric Experiments 73 2.3 An Overview of Some Basic Concepts in Catalysis 74 2.3.1 Catalyst-Substrate Interactions and Sabatier’s Principle 74 2.3.2 Catalyst Deactivation, Sintering, and Thermal Degradation 75 2.3.3 Catalyst Inhibition 78 2.4 Exercises 79 References 85 3 Homogeneous Catalysis 89 3.1 Metal Complex Catalysis in the Liquid Phase 90 3.1.1 Elementary Steps in Homogeneous Catalysis 91 3.1.2 Structure-Activity Relationships in Homogeneous Catalysis 100 3.1.3 Asymmetric Homogeneous Catalysis 106 3.1.4 Industrial Examples 109 3.2 Homogeneous Catalysis without Metals 117 3.2.1 Classic Acid/Base Catalysis 117 3.2.2 Organocatalysis 117 3.3 Scaling Up Homogeneous Reactions: Pros and Cons 119 3.3.1 Catalyst Recovery and Recycling 120 3.3.2 Immobilised Complexes and Ship-In-A-Bottle Catalysts 122 3.4 ‘Click Chemistry’ and Homogeneous Catalysis 122 3.5 Exercises 124 References 131 4 Heterogeneous Catalysis 137 4.1 Classic Gas/Solid Systems 139 4.1.1 The Concept of the Active Site 141 4.1.2 Model Catalyst Systems 143 4.1.3 Real Catalysts: Promoters, Modifiers, and Poisons 144 4.1.4 Preparation of Solid Catalysts: Black Magic Revealed 146 4.1.5 Selecting the Right Support 154 4.1.6 Catalyst Characterisation 157 4.1.7 The Catalytic Converter: an Example from Everyday Life 166 4.1.8 Surface Organometallic Chemistry 168 4.2 Liquid/Solid and Liquid/Liquid Catalytic Systems 171 4.2.1 Aqueous Biphasic Catalysis 171 4.2.2 Fluorous Biphasic Catalysis 173 4.2.3 Biphasic Catalysis Using Ionic Liquids 175 4.2.4 Phase-Transfer Catalysis 176 4.3 Advanced Process Solutions Using Heterogeneous Catalysis 178 4.3.1 The BP AVADA Ethyl Acetate Process 178 4.3.2 The CB&I Lummus/Albemarle AlkyClean Process 179 4.3.3 The IFP and Yellowdiesel Processes for Biodiesel Production 180 4.3.4 The ABB Lummus/UOP SMART Process 184 4.4 Exercises 186 References 196 5 Biocatalysis 205 5.1 The Basics of Enzymatic Catalysis 206 5.1.1 Terms and Definitions – the Bio Dialect 206 5.1.2 Active Sites and Substrate Binding Models 210 5.1.3 Intramolecular Reactions and Proximity Effects 212 5.1.4 Common Mechanisms in Enzymatic Catalysis 213 5.2 Applications of Enzyme Catalysis 215 5.2.1 Whole-Cell Systems vs. Isolated Enzymes 216 5.2.2 Immobilised Enzymes: Bona Fide Heterogeneous Catalysis 218 5.2.3 Replacing ‘Conventional Routes’ with Biocatalysis 221 5.2.4 Combining ‘Bio’ and ‘Chemo’ Catalysis 223 5.3 Developing New Biocatalysts: Better than Nature’s Best 225 5.3.1 Prospecting Natural Diversity 226 5.3.2 Rational Design 226 5.3.3 Directed Evolution 227 5.4 Non-enzymatic Biocatalysts 229 5.4.1 Catalytic Antibodies (Abzymes) 229 5.4.2 Catalytic RNA (Ribozymes) 230 5.5 Industrial Examples 232 5.5.1 High-Fructose Corn Syrup: 11 Million Tons per Year 232 5.5.2 The Mitsubishi Rayon Acrylamide Process 233 5.5.3 The BMS Paclitaxel Process 235 5.5.4 The Tosoh/DSM Aspartame Process 236 5.6 Exercises 237 References 243 6 Computer Applications in Catalysis Research 249 6.1 Computers as Research Tools in Catalysis 249 6.2 Modelling of Catalysts and Catalytic Cycles 251 6.2.1 A Short Overview of Modelling Methods 251 6.2.2 Simplified Model Systems vs. Real Reactions 253 6.2.3 Modelling Large Catalyst Systems Using Classical Mechanics 254 6.2.4 In-Depth Reaction Modelling Using Quantum Mechanics 256 6.3 Predictive Modelling and Rational Catalyst Design 258 6.3.1 Catalysts, Descriptors, and Figures of Merit 259 6.3.2 Three-Dimensional (3D) Descriptors of Homogeneous Catalysts 260 6.3.3 Two-Dimensional (2D) Descriptors of Homogeneous Catalysts 263 6.3.4 Descriptors of Heterogeneous (Solid) Catalysts 267 6.3.5 Predictive Modelling in Biocatalysis 271 6.3.6 Generating Virtual Catalyst Libraries in Space A 272 6.3.7 Understanding Catalyst Diversity 273 6.3.8 Virtual catalyst Screening: connecting Spaces A, B, and c 276 6.4 An Overview of Data Mining Methods in Catalysis 277 6.4.1 Principal Components Analysis (PCA) 279 6.4.2 Partial Least-Squares (PLS) Regression 281 6.4.3 Artificial Neural Networks (ANNs) 283 6.4.4 Classification Trees 284 6.4.5 Model Validation: Separating Knowledge from Garbage 284 6.5 Exercises 287 References 291 Index 297

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Book SynopsisExplore the latest advances involving organo/metal combined catalysts from leading contributors in the field In Asymmetric Organo-Metal Catalysis: Concepts, Principles, and Applications, accomplished chemist Liu-Zhu Gong delivers a comprehensive discussion of how to design efficient organo/metal combined catalyst systems, new cooperatively catalyzed asymmetric reactions, relay catalytic cascades, and multicomponent reactions. The distinguished author covers critical topics, like the combined catalysis of chiral phase transfer catalysts, enamine, iminium, nucleophilic Lewis base, or Bronsted acids with metal complexes, while also covering the cooperative catalysis of photocatalysts and organocatalysts. The book offers readers an exploration of the general concepts and principles of bond activation and reorganization, together with a comprehensive introduction to the historical developments and recent advances in the field. Readers will also benefit from the descriptions of new chemistry and new synthetic methods included within. Asymmetric Organo-Metal Catalysis also provides: Thorough introductions to chiral PTC-metal cooperative catalysis and enamine-metal cooperative catalysis Comprehensive explorations of iminum-metal relay catalysis and cooperative catalysis of bronsted acids and transition metals Practical discussions of metal-bronsted acid relay catalysis and Lewis base–Lewis acid cooperative catalysis In-depth examinations of Lewis base-transition metal cooperative catalysis and photocatalysis combined with organocatalysis Perfect for organic, catalytic, and pharmaceutical chemists, Asymmetric Organo-Metal Catalysis: Concepts, Principles, and Applications is also an invaluable resource for chemists working with or on organometallics.Table of ContentsPreface ix 1 Why Is Organo/Metal Combined Catalysis Necessary? 1 1.1 Introduction 1 1.2 Early Stage of Organo/Metal Combined Catalysis and General Principles 3 1.3 Organo/Metal Cooperative Catalysis 7 1.3.1 Control of Stereochemistry 7 1.3.2 Cooperative Activation of Chemical Bonds 9 1.4 Organo/Metal Relay and Sequential Catalysis 11 1.5 Conclusion 16 References 16 2 Metal/Phase-Transfer Catalyst Combined Catalysis 19 2.1 Introduction 19 2.1.1 Early Racemic Examples: PTC and Transition Metal Co-catalyzed Reactions 19 2.2 Asymmetric Metal/Phase-Transfer Catalyst Combined Catalysis 20 2.2.1 Combination of Cationic PTC and Transition Metal in Asymmetric Catalysis 22 2.2.2 Combination of Anionic PTC and Transition Metal in Asymmetric Catalysis 29 2.3 Conclusion 33 References 34 3 Enamine-Metal Combined Catalysis 39 3.1 Introduction: Combined Enamine Activation and Metal Catalysis 39 3.2 Catalytic Asymmetric α-Allylation of Carbonyls 39 3.2.1 Oxidative Addition-Initiated Allylic Alkylation 39 3.2.2 Metal Hydride-Initiated Allylic Alkylation 48 3.2.3 Lewis Acid-Mediated SN1 or SN2 Reaction 50 3.3 Catalytic Asymmetric Substitution 51 3.4 Catalytic Asymmetric α-Alkenylation, α-Arylation, and α-Trifluoromethylation of Carbonyl Compounds 55 3.5 Asymmetric Addition to Alkynes by Cooperative Catalysis with π-Lewis Acids 59 3.6 Catalytic Asymmetric Propargylic Substitution Reaction of Carbonyl Compounds 61 3.7 Catalytic Asymmetric α-Oxidation of Aldehydes 63 3.8 Relay Catalysis 64 3.8.1 Catalytic Asymmetric Cross Dehydrogenative Coupling 64 3.8.2 Transformation of Olefins 68 3.9 Conclusion 70 References 71 4 Iminium and Metal Combined Catalysis 75 4.1 Introduction: Iminium Activation and Metal Combined Catalysis 75 4.2 Iminium Activation and Palladium Catalysis 76 4.2.1 Enantioselective Conjugate Addition Reaction 76 4.2.2 Asymmetric [3+2] Cycloaddition Via Ring-Opening Oxidative Addition 77 4.2.3 Asymmetric Michael Addition and Carbocyclization Cascade 81 4.2.4 Asymmetric Oxidative Cascade Reaction 83 4.3 Iminium Activation and Coinage Metal Catalysis 83 4.4 Iminium Activation and Other Metal Catalysis 85 4.5 Conclusion 87 References 88 5 Brønsted Acid and Transition Metal Cooperative Catalysis 91 5.1 Introduction 91 5.2 Early Stage of Metal/Brønsted Acid Cooperative Catalysis 93 5.3 Metal Alkynylide-Mediated Transformations 93 5.4 π-Allyl-Metal-Mediated Transformation 95 5.5 Asymmetric Hydrogenation of C—N Double Bond 107 5.6 Metal Carbene-Mediated Transformations 110 5.7 π-Lewis Acid Mediated Transformations 116 5.8 Summary and Outlook 119 References 120 6 Metal-Brønsted Acid Relay Catalysis 125 6.1 Introduction 125 6.2 π-Lewis Acid-Chiral Brønsted Acid Relay Catalysis 125 6.2.1 Hydroamination-Initiated Cascade Reaction 127 6.2.2 Hydroalkoxylation Mediated Relay Catalysis 132 6.2.3 Hydrosiloxylation Mediated Relay Catalysis 136 6.2.4 Relay Catalysis Involving the Addition of Nitrone or Nitro Group to Alkynes 138 6.2.5 Relay Catalysis Involving the Addition of Carbon Nucleophiles to Alkynes 139 6.3 Metal/Brønsted Acid Relay Catalysis Involving Alkene Metathesis 141 6.4 Metal/Brønsted Acid Relay Catalysis Involving Alkene Isomerization 144 6.5 Metal/Brønsted Acid Relay Catalysis Involving Hydrogenation 151 6.6 Palladium/Brønsted Acid Relay Catalytic Asymmetric Allylation of Carbonyls 155 6.7 Metal/Brønsted Acid Relay Catalysis Involving Hydroformylation 157 6.8 Metal/Brønsted Acid Relay Catalysis Involving Metal Carbene Formation 160 6.8.1 Cascade Metal Carbene Formation and Asymmetric Protonation 160 6.8.2 Multiple Cascade Reaction Initiated with Metal Carbene 165 6.9 Lewis Acid/Chiral Brønsted Acid Relay Catalysis 167 6.10 Miscellaneous 169 6.11 Summary and Outlook 172 References 173 7 Lewis Base–Lewis Acid Cooperative Catalysis 179 7.1 Introduction: Combined Lewis Base and Lewis Acid Activations 179 7.1.1 Early Examples in Lewis Base–Lewis Acid Cooperative Catalysis 183 7.2 Asymmetric Reactions Driven by Tertiary Amine-Mediated Ammonium Enolates 184 7.2.1 Asymmetric Baylis–Hillman Reactions 184 7.2.2 Asymmetric [2+2] Reactions 186 7.2.3 Asymmetric [4+2] Reactions 192 7.2.4 Asymmetric α-Functionalization of Carbonyl Compounds 196 7.3 Asymmetric Reactions Driven by NHC-Mediated Homoenolates 198 7.3.1 Asymmetric Annulation Reactions 201 7.3.2 Asymmetric β-Protonation Reactions 211 7.3.3 Asymmetric Kinetic Resolutions 215 7.4 Asymmetric Reactions Driven by NHC-Mediated Azolium Enolates 216 7.5 Asymmetric Reactions Driven by Ammonium Salts 221 7.6 Asymmetric Reactions Driven by NHC-Mediated α,β-Unsaturated Acyl Azoliums 225 7.6.1 Asymmetric [3+3] Reactions 225 7.6.2 Asymmetric Cascade Reactions 229 7.6.3 Asymmetric Kinetic Resolutions 231 7.7 Conclusion 235 References 235 8 Lewis Base-Transition Metal Cooperative Catalysis 241 8.1 Introduction 241 8.2 Phosphine and Transition Metal Cooperative Catalysis 243 8.3 N-Heterocyclic Carbene and Transition Metal Cooperative Catalysis 244 8.3.1 π-Allyl Metal Mediated Transformations 245 8.3.2 Alkynyl-metal Mediated Transformations 253 8.3.3 Metal-allenylidene Mediated Transformations 254 8.4 Tertiary Amine and Transition Metal Cooperative Catalysis 258 8.4.1 π-Allyl Metal Mediated Transformations 258 8.4.2 π-Benzyl-metal Mediated Transformations 263 8.4.3 Metal-allenylidene Mediated Transformations 265 8.4.4 Other Transition Metal Mediated Transformations 267 8.5 Conclusions 271 References 271 9 Chiral Organocatalyst Combined with Transition Metal Based Photoredox Catalyst 277 9.1 Introduction 277 9.2 Covalent-Based Organocatalytic Activation in Combination with Transition Metal-Based Photoredox Catalyst 279 9.2.1 Chiral Amine/Photoredox Combined Catalysis 279 9.3 Photoredox-Mediated SOMO Catalysis 284 9.4 Nucleophilic Organocatalyst in Combination with Photoredox Catalyst 288 9.5 Noncovalent-Based Organocatalytic Activation in Combination with Transition Metal-Based Photoredox Catalyst 290 9.5.1 Chiral Phosphate/Photoredox Combined Catalysis 290 9.6 Asymmetric Ion-Pair/Photoredox Combined Catalysis 295 9.7 Summary and Outlook 297 References 297 10 Applications in Organic Synthesis 301 10.1 Introduction 301 10.2 Applications of Chiral Phosphoric Acid-Metal Cooperative Catalysis 301 10.3 Application of Transition Metal Catalysis Combined with Secondary Amine Catalysis 305 10.4 Application of Photocatalysis Combined with Organocatalysis 310 10.5 Application of Lewis Base–Lewis Acid Cooperative Catalysis 312 10.6 Application of Lewis Base–Transition Metal Relay Catalysis 316 10.7 Application of Metal-Brønsted Acid Relay Catalysis 316 10.8 Conclusion 320 References 320 Index 325

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Book SynopsisInducing Targeted Protein Degradation Enables drug developers in academia and industry to expand the range of accessible drug targets through induced protein degradation Since the breakthrough of the PROTAC technology in 2015, targeted protein degradation has revolutionized drug discovery, enabling pharma companies to develop completely novel therapeutics. Inducing Targeted Protein Degradation is a timely guide to navigating the complexities of the subject and understanding its practical application, with an eye on expanding the druggable space. In Inducing Targeted Protein Degradation, readers will find the most recent information on: Cellular mechanisms of targeted protein degradation and current approaches to utilize these mechanisms for drug discovery A comparison of different induced degradation approaches, including PROTAC, molecular glues, LYTACs and ATTECs as well as additional post translational modifications Drug development aspects such as DMPK optimization and criteria for the selection of clinical candidates A discussion of the potential of targeted degradation for expanding the druggable space Inducing Targeted Protein Degradation will serve as a practice-oriented reference on induced protein degradation for drug discovery professionals and for researchers employing chemical biology approaches.Table of ContentsTargeted Protein Degradation - The Story So Far Cellular Principles of Targeted Protein Degradation E3 Ubiquitin Ligases as Molecular Machines and Platforms for Drug Development A Structural and Biophysical Perspective of Degrader Activity through Ternary Complex Formation Computational Modeling of PROTAC Ternary Complexes and Linker Design Molecular Glue Degraders: From Serendipity to Hunting and Design Targeted Protein Degradation as a Therapeutic Strategy in Neurodegenerative Diseases Insights and Future Perspectives of Covalent Protein Degraders Extending the Degradation Toolkit - mRNA targeting as Alternative Means to Affect Protein Levels The Future of Heterobifunctional Compounds: PROTACs and Beyond Destruction with a Purpose: Targeted Protein Degradation in Drug Discovery Taming the Beast: How to Optimize DMPK-PD Properties of Oral Degraders PROTAC® Protein Degraders: Bridging the Divide from Chemical Biology Tools to Clinical Candidates

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Phases of Matter and their Transitions An all-in-one, comprehensive take on matter and its phase properties In Phases of Matter and their Transitions, accomplished materials scientist Dr. Gijsbertus de With delivers an accessible textbook for advanced students in the molecular sciences. It offers a balanced and self-contained treatment of the thermodynamic and structural aspects of phases and the transitions between them, covering solids, liquids, gases, and their interfaces. The book lays the groundwork to describe particles and their interactions from the perspective of classical and quantum mechanics and compares phenomenological and statistical thermodynamics. It also examines materials with special properties, like glasses, liquid crystals, and ferroelectrics. The author has included an extensive appendix with a guide to the mathematics and theoretical models employed in this resource. Readers will also find: Thorough introductions to classical and quantum mechanics, intermolecular interactions, and continuum mechanics Comprehensive explorations of thermodynamics, gases, liquids, and solids Practical discussions of surfaces, including their general aspects for solids and liquids Fulsome treatments of discontinuous and continuous transitions, including discussions of irreversibility and the return to equilibrium Perfect for advanced students in chemistry and physics, Phases of Matter and their Transitions will also earn a place in the libraries of students of materials science.

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Book SynopsisComprehensive resource covering fundamental principles of electrochemical energy conversion and storage technologies including fuel cells, batteries, and capacitors Starting with the importance and background of electrochemical foundations, Principles of Electrochemical Conversion and Storage Devices explains the working principles and electrochemistry of electrochemical cells. After a summary of thermodynamic and kinetics, different types of fuel cells as well as batteries and capacitors are covered. This book is written in the style of a textbook, providing illustrative examples and inspiring problems to facilitate the understanding of essential principles of electrochemical cells while offering practical insights for research pursuits. Various application examples are provided at the end of each chapter to strengthen reader understanding of energy storage from a practical point of view. Written by a highly qualified and awarded academic and based on a culmination of his two decades of personal teaching and research experience in the field, Principles of Electrochemical Conversion and Storage Devices includes information on: Common reference electrodes and potentials, standard electrode potentials in aqueous solutions, and current functions for the charge transfer processStandard Gibbs free energy of formation of selected compounds, standard heat of combustion of common fuels, and commonly used physical constantsLatest developments in the field, especially surrounding clean energy technologies, and various experimental methods essential for conducting rigorous electrochemical researchCharacterizing methods, key materials, and governing principles behind all of the covered devices Providing comprehensive coverage of the subject, Principles of Electrochemical Conversion and Storage Devices is an excellent resource tailored for researchers and students from all technical and natural science disciplines seeking to understand more about the most promising energy-related devices and the potential they hold to change the world.

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Book SynopsisRecycling of Power Lithium-Ion Batteries Explore the past, present, and future of power lithium-ion battery recycling, from the governing regulatory framework to predictions of the future of the industry In Recycling of Power Lithium-Ion Batteries: Technology, Equipment, and Policies, a team of distinguished researchers and engineers delivers an authoritative and illuminating exploration of the industrial status and development trends in the global power lithium-ion battery sector. The book examines the development of advanced battery materials and new recycling technologies, as well as typical case studies in enterprise battery recycling. The authors provide a roadmap to the development of spent power battery recycling enterprises that can provide support to the sustainable development industry. Recycling of Power Lithium-Ion Batteries discusses a wide variety of topics with immediate applications to modern industry, including new application scenarios for power lithium-ion batteries, as well as an examination of the laws, regulations, and standards governing battery recycling. Readers will also find: A thorough introduction to the status and development of the lithium-ion battery and its key materials Fulsome discussions of battery recycling technologies and equipment, including pre-treatment technology for battery recycling Comprehensive explorations of the life cycle of power lithium-ion batteries and the impact of battery recycling Expansive treatments of the technology outlook in the lithium-ion battery space, including green battery design and recovery systems Perfect for materials scientists, environmental chemists, and power technology engineers, Recycling of Power Lithium-Ion Batteries: Technology, Equipment, and Policies will also earn a place in the libraries of chemical and process engineers, electrochemists, and professionals working at waste disposal sites.Table of Contents1. Status and Development of Lithium-Ion Power Battery and Key Materials 2. Battery Recycling Technologies 3. Industry Typical 4. Lithium-Ion Power Battery Life Cycle Analysis Current Status and Its Influences on Recycling 5. Laws, Regulations and Standards for Battery Recycling 6. Application Scenarios for Lithium-Ion Power Batteries 7. Battery Recycling Technology Outlook

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Book SynopsisCovers the concepts, perspectives, and skills that many researches working on phthalocyanine chemistry need for their work.

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Book SynopsisComprehensive discussion of production and purification strategies for microbial enzymes important to various industries, from food and beverages to pharmaceuticals Microbial Enzymes provides expert insight into diverse aspects of microbial enzymes, highlighting strategies for their production, purification, and manipulation, elucidating eco-friendly industrial applications, and discussing several production processes, such as the production of cellulose and non-synthetic indigo dye. This book emphasizes recent technological interventions in microbial enzyme technology like metagenomics, system biology, molecular biology, genomics, directed evolution, and bioinformatics. The important microbial enzymes highlighted in this book include xylanases, ureases, methane monooxygenase, polyhydroxyalkanoates, pectinases, peroxidases, a-L-rhamnosidase, alkane hydroxylases, laccases, proteases, gallic acid decarboxylase, chitinases, beta-glucosidase, lipases, inulinases, tannase, mycozyme, ACC deaminase, ligninolytic enzymes, and many more. Novel treatment methods involving strains of microorganisms with desirable properties applicable in the process of bioremediation through mitigating climate concern, increasing green production technology, improving agriculture productivity, and providing a means of earning a livelihood are discussed. Readers will also gain state-of-the-art background knowledge on existing technologies and their current challenges and future prospects. Contributed to by leading experts in the field and edited by four highly qualified academics, Microbial Enzymes explores important topics including: Strategies for the discovery and enhancement of enzyme function, and potentials of system biology to better understand the kinetics of industrially important enzymesProduction and therapeutic applications of monoclonal antibodies in cancer and other diseases, and characterization of tannase as a virulence factorOpportunities to produce enzymes through food waste and byproducts, and recent developments in computational toolsUse of Omics tools in the discovery of fungal enzymes and secondary metabolites Microbial Enzymes is a thorough and highly practical reference on the subject for students, scientists, biotechnologists, microbiologists, and policymakers working in environmental microbiology, biotechnology, and environmental sciences.

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Book SynopsisSeit mehr als 25 Jahren ist dieses Lehrbuch das Standardwerk zum Einstieg in die Makromolekulare Chemie. Kompakt, übersichtlich und verständlich werden die Synthese, Charakterisierung, Eigenschaften und Reaktionen sowie Anwendungen von Polymeren beschrieben. Für die vierte Auflage wurde das Buch komplett überarbeitet, aktualisiert und um wichtige Kapitel erweitert, wie z.B. natürliche Polymere und Biomakromoleküle, Dendrimere, hyperverzweigte Polymere und Sternpolymere, Synthesemöglichkeiten mittels Click-Chemie, Additive für Polymere, selbstheilende Polymere, Elektrospinnen, 3D-Druck von Polymeren und Mikroplastik. Durch die Änderungen sind der Materialaspekt und die technische Seite der Makromolekularen Chemie stärker betont worden. Neben einer Zusammenfassung der wichtigsten Inhalte am Ende jedes Kapitels sind erstmals auch Fragen und Antworten enthalten, die es ermöglichen, das erworbene Wissen selbstständig zu überprüfen und sich erfolgreich auf Prüfungen vorzubereiten. Mit seinem bewährten Konzept ist das Buch der ideale Begleiter für alle Studierenden der Chemie im Haupt- und Nebenfach sowie der Materialwissenschaften. Für Chemiker und Ingenieure, die sich in das Thema schnell einlesen wollen, sei dieses Buch ebenfalls wärmstens empfohlen!

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Table of ContentsPreface.- Introduction: Chemistry of the Troposphere — Some Problems and Their Temporal Frameworks.- Factors Governing the pH, Availability of H+, and Oxidation Capacity of Rain.- The Chemical Composition of Precipitation: A Southern Hemisphere Perspective.- Some Influences of the Atmospheric Water Cycle on the Removal of Atmospheric Trace Constituents.- Aqueous Chemistry in the Atmosphere.- The History of Atmospheric Composition As Recorded in Ice Sheets.- Lake and Wetland Sediments As Records of Past Atmospheric Composition.- The History of the Atmosphere As Recorded by Carbon Isotopes.- Changes in Atmospheric Composition.- The Production and Fate of Reduced Volatile Species from Oxic Environments.- The Production and Fate of Reduced C, N, and S Gases from Oxygen-deficient Environments.- The Production and Fate of Volatile Molecular Species in the Environment: Metals and Metalloids.- Biogenic Contributions to Atmospheric Chemistry.- Physics and Chemistry of Atmospheric Ions.- Homogeneous Gas Phase Oxidation Processes in the Troposphere.- The Global Distribution of Hydroxyl.- Non-methane Organics in the Remote Troposphere.- Tropospheric Gases, Aerosols and Photochemical Reactions.- List of Participants.- Author Index.

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Book SynopsisThe GmeLin series "Organometallic Compounds" comprises compounds containing at least one carbon-to-metal bond (except cyano compounds, which are considered inorganic). It includes all information in scientific journals, but patents, conference reports, and disserta- tions generally were not reviewed. The volumes published so far are listed on p. V/' Organometallic compounds are classified according to their nuclearity and the bonding mode of the organic ligands nL. Nuclearity means the number of atoms of the title metal in the formula unit disregarding any additional metals that may be present. The term nL designates a ligand bonded by n carbon atoms to one or different atoms of the title metal. As usual, a-bonded 1 L ligands are designated by R. Inorganic ligands (Le., ligands bonded exclusively by elements other than carbon) are generally designated by 0 or X. 0 means donor ligands such as pyridine or phosphanes; m-electron donors are specified by mO. X is reserved for negatively charged ligands or other one-electron donors such as halogens or SnR; bridging X ligands may donate one 3 2 2 2 (~-H), three (~-Cl, ~-OR), or five (~3-1) electrons. Terms such as lL_ 0, 20-X, or 20_ 0_ 0 may be used for multidentate ligands. Heterometals are often designated by M, and bridging elements, bridging groups, or nonmetallic cluster constituents by E. The symbols 1] and ~ follow the IUPAC nomenclature.Table of Contents3 Trinuclear Compounds (continued).- Empirical Formula Index.- Ligand Formula Index.- Transition Metal Cross Reference.- Physical Constants and Conversion Factors.

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Book SynopsisEs ist eines der besonderen Ziele des Gmelin-lnstituts, den neuesten Kenntnisstand über das gesamte Gebiet der Actinidenelemente zu vermitteln. Der erste Schritt in dieser Richtung war die Be­ arbeitung der Transurane, die jetzt komplett vorliegt. Die entsprechenden Bände über die Elemente Protactinium und Uran sind in Bearbeitung und werden voraussichtlich 1977 bzw. 1978!1980 erscheinen. Der vorliegende Ergänzungsband· "Thorium'" C 2 über "Ternäre und polynäre Oxide'" ist der erste Band der Reihe, die dem Element Thorium gewidmet ist. Entsprechend der Unterteilung der Uran- und Transuranebände ist die Beschreibung des Thoriums in vier Teile gegliedert: Teil A "Das Element'" Teil C ,. Verbindungen'" Teil B "Metall und Legierungen"' Teil D "Chemie in Lösung'" Die vorgezogene Herausgabe dieses Bandes wird durch die Tatsache gefördert, daß Th0 und 2 ThOrUOrMischoxide speziell für Hochtemperaturkernreaktoren als Brutstoffe für die Erzeugung 233 von U von Bedeutung sind. Daher ist es auch von Interesse, nähere Einzelheiten über die mög­ lichen Wechselwirkungen von Spaltproduktoxiden mit Th02 zu erfahren. Der vorliegende Band gibt dazu die Möglichkeit, als er die Literatur bis Ende 1975 umfaßt. Daneben ist es sicher gut, Kenntnis zu erhalten von Lücken experimenteller Ergebnisse auf diesem Gebiet. Dies mag einen Anstoß zu neuen Arbeiten geben. Um einen vollständigen Überblick und eine geschlossene Darstellung über das im Titel genannte Gebiet zu geben, wurden alle ternären und polynären Metalloxid-Systeme des Thoriums aufgenommen, für die nicht ein neuer Gmelin-Band vorlag, ferner sind einige der im Thorium-Hauptband von 1954 aufgeführten Literaturzitate mit eingearbeitet.Table of Contents/ Table of Contents.- 1 Verbindungen mit Elementen der 1. Hauptgruppe / Compounds with Group la Elements.- 2 Verbindungen mit Elementen der 2. Hauptgruppe / Compounds with Group IIa Elements.- 3 Verbindungen mit Elementen der 3. Hauptgruppe / Compounds with Group IIIa Elements.- 4 Verbindungen mit Elementen der 4. Hauptgruppe / Compounds with Group IVa Elements.- 5 Verbindungen mit Elementen der 5. Hauptgruppe / Compounds with Group Va Elements.- 6 Verbindungen mit Elementen der 1. Nebengruppe / Compounds with Group Ib Elements.- 7 Verbindungen mit Elementen der 2. Nebengruppe / Compounds with Group IIb Elements.- 8 Verbindungen mit Elementen der 3. Nebengruppe / Compounds with Group IIIb Elements.- 9 Verbindungen mit Elementen der 4. Nebengruppe / Compounds with Group IVb Elements.- 10 Verbindungen mit Elementen der 5. Nebengruppe / Compounds with Group Vb Elements.- 11 Verbindungen mit Elementen der 6. Nebengruppe / Compounds with Group VIb Elements.- 12 Verbindungen mit Elementen der 7. Nebengruppe / Compounds with Group VIIb Elements.- 13 Verbindungen mit Elementen der 8. Nebengruppe / Compounds with Group VIIIb Elements.

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Book SynopsisThis textbook introduces the industrial production and processing of natural resources. It is divided into six major topics (fats and oils, carbohydrates, lignin, terpenoids, other natural products, biorefinery), which are divided into a total of 20 chapters.Each chapter is self-contained and therefore a compact learning unit, which can be worked on by students in self-study or presented by lecturers. Clear illustrations, flow diagrams, apparatus drawings and photos facilitate the understanding of the subject matter. All chapters end with a succinct summary, the "Take Home Messages". Each chapter is supplemented by ten short test questions, which can be solved quickly after working through the chapter; the answers are at the end of the book. All chapters contain bibliographical references that focus on essential textbooks and reference works. As a prior knowledge, only basic knowledge of chemistry is required. Table of Contents1 Overview/Introduction.- I Fats and Oils.- 2 Plant Oils.- 3 Fat Products/Oleochemicals.- 4 Reactions of fatty acid chains/Special Oleochemical Products.- 5 The by-product of Oleochemistry/Glycerol.- II Carbohydrate.- 6 Sugar Chemistry.- 7 From wood to pulp/Cellulose.- 8 Starch Chemistry.- 9 Carbohydrates from the sea.- 10 Cyclodextrins.- III Lignin.- 11 Woods' essential ingredient/Lignin.- IV Terpenoids.- 12 Tree Balm/Terpenes.- 13 Natural rubber and its processing.- V Other Natural Products.- 14 Building blocks of life/Amino acids and proteins.- 15 Natural Dyes.- 16 Natural Pharmaceuticals.- 17 The essential 'amines'.- 18 Natural Fragrances and Flavours.- 19 Plastics from nature/Biopolymers.- VI Biorefineries.- 20 Smart raw materials.- Answers to the 'Quickies'.- Index.

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Book SynopsisThis study guide for the Chemistry Olympiad contains summarized concepts and examples in all areas of chemistry. The chapters are arranged in a logical manner and establishes connections between concepts. Undergraduate chemistry concepts are explained clearly: every equation in physical chemistry is derived and justified while every organic reaction has its reaction mechanism shown and explained, without assuming that readers have university-level background in the subject. The book also contains original Chemistry Olympiad sample problems that readers may use to test their knowledge.This is a first book of its kind, written by Nan Zhihan, International Chemistry Olympiad (IChO) gold medallist and winner of the International Union of Pure and Applied Chemistry (IUPAC) Prize for achieving the highest score in the experimental exam, and experienced Chemistry Olympiad trainer Dr Zhang Sheng, who has served as head mentor of Singapore IChO team for many years. It builds on the experience of both a participant and trainer to help any aspiring Chemistry Olympiad student understand the challenging concepts in chemistry.

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Book SynopsisThe Extraordinary Elements presents the periodic table as you have never seen before! These fun, surrealist postcards from the fantastic Ximo Abadía are the perfect way to get familiar with all 118 elements.Featuring Alice Cooper (Arsenic), Freddie (Mercury), Kurt Cobain (Lithium) and a whole host of weird and wonderful characters both real and imagined, this stunning postcard set presents the personified elements as you've never seen them before! Including 118 postcards printed on beautiful, thick card, and presented in a stunning gift box with the periodic table printed on the lid, this is the perfect gift for anyone who is zany about chemistry.

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Book SynopsisWith a wide range of backgrounds, this book covers both inorganic and organic as well as their hybrids of various persistently luminescent materials.

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Book SynopsisIntroduction to Continuous Symmetries Powerful and practical symmetry-based approaches to quantum phenomena In Introduction to Continuous Symmetries, distinguished researcher Franck Laloë delivers an insightful and thought-provoking work demonstrating that the underlying equations of quantum mechanics emerge from very general symmetry considerations without the need to resort to artificial or ambiguous quantization rules. Starting at an elementary level, this book explains the computational techniques such as rotation invariance, irreducible tensor operators, the Wigner—Eckart theorem, and Lie groups that are necessary to understand nuclear physics, quantum optics, and advanced solid-state physics. The author offers complementary resources that expand and elaborate on the fundamental concepts discussed in the book’s ten accessible chapters. Extensively explained examples and discussions accompany the step-by-step physical and mathematical reasoning. Readers will also find: A thorough introduction to symmetry transformations, including fundamental symmetries, symmetries in classical mechanics, and symmetries in quantum mechanics Comprehensive explorations of group theory, including the general properties and linear representations of groups Practical discussions of continuous groups and Lie groups, in particular SU(2) and SU(3) In-depth treatments of representations induced in the state space, including discussions of Wigner’s Theorem and the transformation of observables Perfect for students of physics, mathematics, and theoretical chemistry, Introduction to Continuous Symmetries will also benefit theoretical physicists and applied mathematicians.Table of ContentsI Symmetry transformations 1 A Basic symmetries 1 B Symmetries in classical mechanics 5 C Symmetries in quantum mechanics 26 AI Eulerian and Lagrangian points of view in classical mechanics 31 1 Eulerian point of view 32 2 Lagrangian point of view 34 BI Noether’s theorem for a classical field 38 1 Lagrangian density and Lagrange equations for continuous variables 38 2 Symmetry transformations and current conservation 40 3 Generalization, relativistic notation 41 4 Local conservation of energy 42 II Some ideas about group theory 45 A General properties of groups 46 B Linear representations of a group 56 AII Left coset of a subgroup; quotient group 65 1 Left cosets 65 2 Quotient group 66 III Introduction to continuous groups and Lie groups 69 A General properties 70 B Examples 85 C Galilean and Poincaré groups 98 AIII Adjoint representation, Killing form, Casimir operator 109 1 Adjoint representation of a Lie algebra 109 2 Killing form ; scalaire product and change of basis in L 111 3 Completely antisymmetric structure constants 113 4 Casimir operator 114 IV Induced representations in the state space 117 A Conditions imposed on the transformations in the state space 119 B Wigner’s theorem 121 C Transformations of observables 126 D Linear representations in the state space 128 E Phase factors and projective representations 133 AIV Unitary projective representations, with finite dimension, of connected Lie groups. Bargmann’s theorem 141 1 Case where G is simply connected 142 2 Case where G is p-connected 145 BIV Uhlhorn-Wigner theorem 149 1 Real space 149 2 Complex space 153 V Representations of Galilean and Poincaré groups: mass, spin, and energy 157 A Representations in the state space 158 B Galilean group 159 C Poincaré group 173 AV Proper Lorentz group and SL(2C) group 191 1 Link to the SL(2, C) group 191 2 Little group associated with a four-vector 198 3 W2 operator 202 BV Commutation relations of spin components, Pauli–Lubanski four-vector 205 1 Operator S 205 2 Pauli–Lubanski pseudovector 207 3 Energy-momentum eigensubspace with any eigenvalues 210 CV Group of geometric displacements 213 1 Brief review: classical properties of displacements 214 2 Associated operators in the state space 223 DV Space reflection (parity) 233 1 Action in real space 233 2 Associated operator in the state space 235 3 Parity conservation 237 VI Construction of state spaces and wave equations 241 A Galilean group, the Schrödinger equation 242 B Poincaré group, Klein–Gordon, Dirac, and Weyl equations 254 AVI Relativistic invariance of Dirac equation and non-relativistic limit 273 1 Relativistic invariance 273 2 Non-relativistic limit of the Dirac equation 276 BVI Finite Poincaré transformations and Dirac state space 281 1 Displacement group 281 2 Lorentz transformations 283 3 State space and Dirac operators 287 CVI Lagrangians and conservation laws for wave equations 293 1 Complex fields 293 2 Schrödinger equation 295 3 Klein–Gordon equation 297 4 Dirac equation 300 VII Rotation group, angular momenta, spinors 303 A General properties of rotation operators 304 B Spin 1/2 particule; spinors 323 C Addition of angular momenta 329 AVII Rotation of a spin 1/2 and SU(2) matrices 339 1 Modification of a spin 1/2 polarization induced by an SU(2) matrix 340 2 The transformation is a rotation 341 3 Homomorphism 342 4 Link with the chapter VII discussion 344 5 Link with double-valued representations 346 BVII Addition of more than two angular momenta 347 1 Zero total angular momentum; 3-j coefficients 347 2 6-j Wigner coefficients 351 VIII Transformation of observables under rotation 355 A Scalar and vector operators 358 B Tensor operators 363 C Wigner–Eckart theorem 379 D Applications and examples 384 AVIII Short review of classical tensors 397 1 Vectors 397 2 Tensors 398 3 Properties 401 4 Criterium for a tensor 403 5 Symmetric and antisymmetric tensors 403 6 Specific tensors 404 7 Irreducible tensors 405 BVIII Second-order tensor operators 409 1 Tensor product of two vector operators 409 2 Cartesian components of the tensor in the general case 411 CVIII Multipole moments 415 1 Electric multipole moments 416 2 Magnetic multipole moments 428 3 Multipole moments of a quantum system with a given angular momentum J 434 DVIII Density matrix expansion on tensor operators 439 1 Liouville space 439 2 Rotation transformation 441 3 Basis of the T[K]Q operators 442 4 Rotational invariance in a system’s evolution 444 IX Internal symmetries, SU(2) and SU(3) groups 449 A System of distinguishable but equivalent particles 451 B SU(2) group and isospin symmetry 466 C SU(3) symmetry 472 AIX The nature of a particle is equivalent to an internal quantum number 497 1 Partial or complete symmetrization, or antisymmetrization, of a state vector 497 2 Correspondence between the states of two physical systems 499 3 Physical consequences 501 BIX Operators changing the symmetry of a state vector by permu-tation 503 1 Fermions 503 2 Bosons 506 X Symmetry breaking 507 A Magnetism, breaking of rotational symmetry 508 B A few other examples 515 Appendix 521 Time reversal 521 1 Time reversal in classical mechanics 522 2 Antilinear and antiunitary operators in quantum mechanics 527 3 Time reversal and antilinearity 534 4 Explicit form of the time reversal operator 542 5 Applications 546

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Book SynopsisMathematica for Physicists and Engineers Hands-on textbook for learning how to use Mathematica to solve real-life problems in physics and engineering Mathematica for Physicists and Engineers provides the basic concepts of Mathematica for scientists and engineers, highlights Mathematica’s several built-in functions, demonstrates mathematical concepts that can be employed to solve problems in physics and engineering, and addresses problems in basic arithmetic to more advanced topics such as quantum mechanics. The text views mathematics and physics through the eye of computer programming, fulfilling the needs of students at master’s levels and researchers from a physics and engineering background and bridging the gap between the elementary books written on Mathematica and the reference books written for advanced users. Mathematica for Physicists and Engineers contains information on: Basics to Mathematica, its nomenclature and programming language, and possibilities for graphic output Vector calculus, solving real, complex and matrix equations and systems of equations, and solving quantum mechanical problems in infinite-dimensional linear vector spaces Differential and integral calculus in one and more dimensions and the powerful but elusive Dirac Delta function Fourier and Laplace transform, two integral transformations that are instrumental in many fields of physics and engineering for the solution of ordinary and partial differential equations Serving as a complete first course in Mathematica to solve problems in science and engineering, Mathematica for Physicists and Engineers is an essential learning resource for students in physics and engineering, master’s students in material sciences, geology, biological sciences theoretical chemists. Also lecturers in these and related subjects will benefit from the book.Table of ContentsPreface xiii Foreword xvii About the Authors xix 1 Preliminary Notions 1 1.1 Introduction 1 1.2 Versions of Mathematica 1 1.3 Getting Started 2 1.4 Simple Calculations 2 1.4.1 Arithmetic Operations 2 1.4.2 Approximate Numerical Results 3 1.4.3 Algebraic Calculations 3 1.4.4 Defining Variables 4 1.4.5 Using the Previous Results 5 1.4.6 Suppressing the Output 6 1.4.7 Sequences of Operations 6 1.5 Built-in Functions 7 1.6 Additional Features 9 1.6.1 Arbitrary-Precision Calculations 9 1.6.2 Value for Symbols 10 1.6.3 Defining Naming and Evaluating Functions 10 1.6.4 Composition of Functions 11 1.6.5 Conditional Assignment 12 1.6.6 Warnings and Messages 13 1.6.7 Interrupting Calculations 13 1.6.8 Using Symbols to Tag Objects 13 2 Basic Mathematical Operations 15 2.1 Introduction 15 2.2 Basic Algebraic Operations 15 2.3 Basic Trigonometric Operations 20 2.4 Basic Operations with Complex Numbers 21 3 Lists and Tables 25 3.1 Introduction 25 3.2 Lists 25 3.3 Arrays 26 3.4 Tables 26 3.5 Extracting the Elements from the Arrays/Tables 29 4 Two-Dimensional Graphics 31 4.1 Introduction 31 4.2 Plotting Functions of a Single Variable 31 4.3 Additional Commands 34 4.4 Plot Styles 44 4.5 Probability Distribution 58 4.5.1 Binomial Distribution 58 4.5.2 Poisson Distribution 58 4.5.3 Normal or Gaussian Distribution 59 4.6 Some More Useful Commands 61 5 Parametric, Polar, Contour, Density, and List Plots 65 5.1 Introduction 65 5.2 Parametric Plotting 65 5.3 Polar Plots 72 5.3.1 Polar Plots of Circles 72 5.3.2 Polar Plots of Ellipse, Parabola, and Hyperbola 72 5.4 Implicit Plot 80 5.5 Contour Plots 81 5.6 Density Plot 85 5.7 ListPlot and ListLinePlot 85 5.8 LogPlot, LogLogPlot, ErrorListPlot 88 5.9 Least Square Fit 89 5.10 Plotting of Complex Numbers 92 6 Three-Dimensional Graphics 97 6.1 Introduction 97 6.2 Plotting Function of Two Variables 97 6.3 Parametric Plots 101 6.4 3D Plots in Cylindrical and Spherical Coordinates 102 6.5 ContourPlot3D 105 6.6 ListContourPlot3D 108 6.7 ListSurfacePlot3D 110 6.8 Surface of Revolution 112 6.9 Conicoids 114 7 Matrices 123 7.1 Introduction 123 7.2 Properties of Matrices 123 7.2.1 Matrix Multiplication 123 7.3 Types of Matrices 123 7.4 The Rank of the Matrix 124 7.5 Special Matrices 124 7.6 Creation of a Matrix and Matrix Operations 125 7.6.1 Extraction of the Submatrices or the Elements of the Matrices 126 7.7 Properties of the Special Matrices 133 7.8 Direct Sum of Matrices 137 7.9 Direct Product of Matrices 137 7.10 Examples from Group Theory 138 7.10.1 SO(3) Group 138 7.10.2 SU(n)Group 139 7.10.3 SU(2) Group 140 7.10.4 SU(3) Group 141 8 Solving Algebraic and Transcendental Equations 143 8.1 Introduction 143 8.2 Solving System of Linear Equations 143 8.2.1 Number of Equations Equal to Number of Unknowns 144 8.2.2 Number of Equations Less than the Number of Unknowns 146 8.2.3 Number of Equations More than Number of Unknowns 146 8.3 Nonlinear Algebraic Equations 147 8.4 Solving Complex Equations 149 8.5 Solving Transcendental Equations 153 9 Eigenvalues and Eigenvectors of a Matrix 161 9.1 Introduction 161 9.2 Eigenvalues and Eigenvectors 161 9.2.1 Distinct Eigenvalues Having Independent Eigenvectors 162 9.2.2 Multiple Eigenvalues Having Independent Eigenvectors 163 9.2.3 Multiple Eigenvalues Not Having Independent Eigenvectors 165 9.3 Cayley–Hamilton Theorem 166 9.4 Diagonalization of a Matrix 167 9.4.1 Gram–Schmidt Orthogonalization Method 167 9.4.2 Diagonalizability of a Matrix 169 9.4.3 Case of a Non-diagonalizable Matrix 170 9.5 Some More Properties of the Special Matrices 172 9.6 Power of a Matrix 173 9.6.1 Roots of a Matrix 174 9.6.2 Exponential of a Matrix 174 9.6.3 Logarithm of a Matrix 174 9.6.4 Matrix Power Series 174 9.7 Power of a Matrix by Diagonalization 174 9.8 Bilinear, Quadratic, and Hermitian Forms 177 9.9 Principal Axes Transformation 178 10 Differential Calculus 183 10.1 Introduction 183 10.2 Limits 183 10.2.1 Evaluation of the Limits Using L’Hospital’s Rule 184 10.2.2 Application of L’Hospital’s Rule for the “Indeterminate Form” ∞ 185 ∞ 10.2.3 Evaluation of the Limit Using Taylor’s Theorem of Mean 186 10.3 Differentiation 188 10.3.1 Computation of Partial Derivatives 191 10.3.2 Total Derivative 193 10.4 Derivatives of Functions in Parametric Forms 195 10.4.1 Chain Rule for a Function of Two Independent Variables 196 10.4.2 Chain Rule for a Function of Three Independent Variables 196 10.5 Rolle’s Theorem 198 10.6 Mean Value Theorem 198 10.7 Series 200 10.8 Maxima and Minima 209 10.8.1 First Derivative Test 210 10.8.2 Second Derivative Test 211 10.8.3 Maximum and Minimum Values of a Function in a Closed Interval 213 10.8.4 Maxima and Minima of Two Variables 218 10.9 Differential Equations 222 10.9.1 Simple Harmonic Oscillator 225 10.9.2 LCR Circuit – Discharging of a Condenser Through an LR Circuit 227 11 Integral Calculus 235 11.1 Introduction 235 11.1.1 Indefinite Integral 235 11.1.2 Definite Integral 235 11.1.3 Numerical Value of the Integral 235 11.1.4 Assumptions While Evaluating the Integral 236 11.1.5 Multiple Integrals 236 11.1.6 Triple Integral 236 11.2 Evaluation of Indefinite Integrals 236 11.3 Evaluation of Definite Integrals 238 11.3.1 Numerical Value of the Integral 238 11.3.2 Options for Integration 239 11.4 Two and Three-Dimensional Integrals 240 11.5 Evaluation of the Integral in Polar Coordinates 242 11.6 Evaluation of Special Integrals 242 11.7 Orthogonal Polynomials 248 11.8 Area Between Curves 252 11.9 Application of Green’s Theorem in a Plane 256 11.10 Area of Surfaces of Revolution 257 12 Dirac Delta Function 263 12.1 Introduction 263 12.2 The Limiting Form of the Dirac Delta Function 263 12.3 Integral Representation of the Dirac Delta Function 265 12.4 Some Important Properties of the Dirac Delta Function 267 12.5 The Three-Dimensional Dirac Delta Function 270 13 Fourier Transforms 273 13.1 Introduction 273 13.2 Fourier Transforms 273 13.3 Scaling Property 280 13.4 Shifting Property 280 13.5 Fourier Sine and Cosine Transforms 281 13.6 Fourier Transform of the Derivative 282 13.7 Inverse Fourier Transform 282 13.8 Convolution 283 13.9 Convolution Theorem for Fourier Transforms 291 13.10 Parseval’s Theorem 293 14 Laplace Transforms 295 14.1 Introduction 295 14.2 Some Simple Examples 296 14.3 Properties of the Laplace Transforms 297 14.3.1 Linearity 297 14.3.2 Shifting Property 297 14.3.3 Scaling Property 297 14.4 Laplace Transform of the Derivative 298 14.5 Laplace Transform of Certain Special Functions 299 14.6 The Laplace Transform of Error and Complementary Error Functions 300 14.7 The Evaluation of a Certain Class of Definite Integrals Using Laplace Transforms 300 14.8 The Inverse Laplace Transform 302 14.8.1 Inverse Laplace Transform of Standard Functions 303 14.8.2 Shifting Properties 303 14.8.3 Inverse Laplace Transforms of Derivatives 305 14.9 Solving the Differential Equation by Laplace Transform 306 14.10 Convolution Theorem 307 14.11 Graphical Treatment of the Convolution 308 15 Vectors 315 15.1 Introduction 315 15.2 Properties 315 15.3 Vector Differentiation 319 15.4 Directional Derivative 320 15.5 Unit Vector Normal to the Surface 320 15.6 Gradient, Divergence, and Curl in the Cartesian Coordinate System 320 15.6.1 Gradient 320 15.6.2 Divergence 321 15.6.3 Curl 321 15.6.4 Laplacian Operator (∇ 2) 321 15.6.5 Examples 322 15.7 Expressing the Gradient, Divergence, and Curl in Other Coordinate Systems 326 15.7.1 Spherical Coordinate System 326 15.7.2 Cylindrical Coordinate System 330 15.8 Vector Plots 337 16 Linear Vector Spaces and Quantum Mechanics 343 16.1 Introduction 343 16.2 Linear Independence, Basis, and Dimension 343 16.3 Dimension of the Vector Space 343 16.4 Basis of the Vector Space 343 16.5 Completeness 344 16.6 Scalar Product in a Linear Vector Space 344 16.7 Norm of the Vector 344 16.8 Orthonormal Basis 344 16.9 Linear Independence of Functions 348 16.10 Hilbert Space 349 16.11 Completeness in Functional Space 350 16.12 The Dirac Ket and Bra Notation 351 16.12.1 The Scalar Product of Kets and Bras 351 16.12.2 Schwartz Inequality 352 16.12.3 The Orthonormal States 352 16.12.4 Basis 352 16.12.5 Probability Density 352 16.13 The Hermitian and Skew-Hermitian Operators in Dirac Ket and Bra Notation 352 16.14 Expectation Values 353 16.15 Matrix Representation of the Linear Operator 359 17 Application of Mathematica to Quantum Mechanics 361 17.1 Introduction 361 17.2 A Particle in a One-Dimensional Box 361 17.3 A Particle in a Two-Dimensional Box 365 17.4 The Hydrogen Atom Problem 368 17.4.1 The Orthonormal Property of the Hydrogen Atom Wave Functions 371 17.5 The One-Dimensional Linear Harmonic Oscillator Atom Problem 373 17.6 Three-Dimensional Harmonic Oscillator 377 17.7 Miscellaneous Problems 382 References 385 Index 387

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Book SynopsisThe fifth edition of the Kirk-Othmer Encyclopedia of Chemical Technology builds upon the solid foundation of the previous editions, which have proven to be a mainstay for chemists, biochemists, and engineers at academic, industrial, and government institutions since publication of the first edition in 1949.

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Book SynopsisA revolutionary new guide to pairing ingredients, based on a famous chef's groundbreaking research into the chemical basis of flavour.Trade Review"The food-pairing bible you never knew you needed." —Smithsonian Magazine "Do chicken, mushrooms, and strawberries go together? What about banana and chili sauce? In 2012, James Briscione the Director of Culinary Development at the Institute of Culinary Education in New York had the opportunity to work with IBM’s supercomputer Watson. Drawing on a wealth of data, the computer would generate a list of ingredients, often ones you wouldn’t think would go together, for the chefs to make a dish with. The results were surprisingly good. But, as Briscione points out, few people have access to Watson. Briscione took the ideas from his time with the supercomputer and offers a scientific look at how flavors break down and pair up. Using a modified color wheel for foods like brassicas and crustaceans, he reveals unexpected pairings, offering recipes to prove his case." —Food & Wine, "The 18 Spring Cookbooks We're Most Excited About" "Unlock[s] a whole world of information about why flavors work together...Full of detailed infographics, this book also includes Briscione's original recipes." —Epicurious, "Spring 2018 Cookbook Preview: The 37 New Cookbooks to Buy This Spring" "A fascinating collection of matrices that break down the best flavor combinations to make main ingredients shine...Visually, this book is stunning, like a science text for foodies, with a particularly helpful introduction...[The Flavor Matrix] is a treat for gourmands and food science geeks." —Library Journal "Briscione, director of culinary research at the Institute of Culinary Education, along with cowriter and wife Parkhurst, will delight food nerds with this scientific exploration of flavor profiles of common ingredients...Professional chefs and home cooks who enjoy experimentation will welcome this insightful new approach." —Publishers Weekly "Flavor pairing is a fundamental building block of what separates the cook from the chef. The Flavor Matrix will help you think like a chef." —Madeline Puckette, co-author of Wine Folly “A gifted and creative chef, James Briscione puts the algorithms of taste to use in this wonderfully researched new book. The Flavor Matrix uses science to expand our universe of possible ingredient combinations, and in the process points the way to the future of cooking.” —Frank Stitt, author of Frank Stitt's Southern Table and Bottega Favorita "This comprehensive book is a great tool for any student looking to strengthen his or her knowledge of ingredients, flavors, and textures. The opportunity to study and understand the science of these elements is a great advantage to today’s generation of cooks. They should all make use of it!" —Daniel Boulud, author of Letters to a Young Chef and Daniel: My French Cuisine “The Flavor Matrix isn’t just a high quality cookbook filled with delicious recipes and insights. It is that. But more importantly, it’s sure to be a requirement for the professional and passionate home cook alike.” —Richard Blais, author of Try This At Home and So Good “The Flavor Matrix is full of interesting insights into the way chefs build dynamic relationships between ingredients. Whether professional chefs or home cooks, we can all use these diagrams as a starting point for endless c —

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