A. Krishna Prasad, editor ; sponsored by the ACS Division of Carbohydrate Chemistry, ADS Division of Cellulose and Renewable Materials
出版情報:
Washington DC : American Chemical Society , [Oxford] : Distributed in print by Oxford University Press, c2018 xii, 397 p., 10 p. of col. plates ; 24 cm
Targeted Therapeutic Genome Engineering: Opportunities and Bottlenecks in Medical Translation / Jessica A. Kretzmann and David C. Luther and Marck Norret and Vincent M. Rotello and K. Swaminathan Iyer1:
Aerosol Delivery to the Airways Using Cationic Lipid Nanocomplexes in a Perspective of Cystic Fibrosis Treatment / Mathieu Berchel and Paul-Alain Jaffrès and Tony Le Gall and Tristan Montier2:
Hybrid Nucleic Acid Nanocapsules for Targeted, Enzyme-Specific Drug Delivery and Intracellular Gene Regulation / Joshua J. Santiana and Saketh Gudipati and Alyssa K. Hartmann and Jessica L. Rouge3:
A Novel Polysaccharide Carrier for Functional Oligonucleotides: Immunocyte Targeting through ß-Glucan Receptors / Noriko Miyamoto and Shinichi Mochizuki and Kazuo Sakurai4:
Thiourea-Functional Bioreducible Poly(amido amine)s in Gene Delivery / M. Rachel Elzes and Guoying Si and Johan F. J. Engbersen and Jos M. J. Paulusse5:
Non-Crosslinking Aggregation of DNA-Functionalized Gold Nanoparticles for Gene Diagnosis and Directed Assembly / Guoqing Wang and Yoshitsugu Akiyama and Naoki Kanayama and Tohru Takarada and Mizuo Maeda6:
Self-Assembly of Noble Metal-Based Hybrid Nanostructures Using a Combination of Colloidal and Aerosol-Based Approaches / Hung-Li Wang and De-Hao Tsai7:
Mechanisms of Actively Triggered Drug Delivery from Hard Nanoparticle Carriers / Ajmeeta Sangtani and Megan E. Muroski and James B. Delehanty8:
Inclusion Complexes in Drug Delivery and Drug Targeting: Formation, Characterization, and Biological Applications / Rajesh K. K. Sanku and Ozlem O. Karakus and Monica Ilies and Marc A. Ilies9:
Drug Delivery to Hypoxic Tumors Targeting Carbonic Anhydrase IX / Ahmed M. Shabana and Marc A. Ilies10:
Light-Induced Reactive-Oxygen-Species- (ROS-) Mediated Activation of Self-Assembled Nanoplatforms for On-Demand Drug Delivery / Gurusamy Saravanakumar and Won Jong Kim11:
Redox Polyion Complex Micelle-Based Injectable Hydrogel as Local Reactive Oxygen Species Scavenging Therapeutics / Long Binh Vong and Yukio Nagasaki12:
Colon-Targeted Delivery Systems for Therapeutic Applications: Drug Release from Multiparticulate, Monolithic Matrix, and Capsule-Filled Delivery Systems / Safa Cyrus Fassihi and Rahmat Talukder and Reza Fassihi13:
Editors' Biographies
Indexes
Author Index
Subject Index
Preface
Targeted Therapeutic Genome Engineering: Opportunities and Bottlenecks in Medical Translation / Jessica A. Kretzmann and David C. Luther and Marck Norret and Vincent M. Rotello and K. Swaminathan Iyer1:
Aerosol Delivery to the Airways Using Cationic Lipid Nanocomplexes in a Perspective of Cystic Fibrosis Treatment / Mathieu Berchel and Paul-Alain Jaffrès and Tony Le Gall and Tristan Montier2:
Wastewater-Based Epidemiology as a Complementary Approach to the Conventional Survey-Based Approach for the Estimation of Community Consumption of Drugs / Bikram Subedi and Dan Burgard1:
Analytical Techniques for the Identification and Quantification of Drugs and Metabolites in Wastewater Samples / Nicole Centazzo and Marta Concheiro-Guisan2:
GC-MS Methods for Monitoring Illicit Drug Biomarkers in Wastewater: A Critical Review / Kevin J. Bisceglia and Gianna Kroening and Bikram Subedi3:
Uncertainties Associated with Wastewater-Based Epidemiology for the Estimation of Community Consumption of Drugs / Bikram Subedi4:
Wastewater-Based Epidemiological Engineering-Modeling Illicit Drug Biomarker Fate in Sewer Systems as a Means To Back-Calculate Urban Chemical Consumption Rates / Benedek Gy. Plósz and Pedram Ramin5:
Applications
Application of Wastewater-Based Epidemiology in China-From Wastewater Monitoring to Drug Control Efforts / Xiqing Li and Peng Du and Wei Zhang6:
Wastewater-Based Epidemiology as an Input to National Statistics on Recreational Drug Use: A Canadian Pilot Study / Viviane Yargeau and Tim Werschler7:
Utilizing Wastewater-Based Epidemiology To Determine Temporal Trends in Illicit Stimulant Use in Seattle, Washington / Rosie Rushing and Daniel A. Burgard8:
Detection in Sewage and Community Consumption of Stimulant Drugs in Northeastern United States / Sheree Pagsuyoin and Jiayue Luo and Dhimiter Bello9:
WBE Applications beyond Drugs
Assessing the Potential To Monitor Plant-Based Diet Trends in Communities Using a Wastewater-Based Epidemiology Approach / Arjun K. Venkatesan and Jing Chen and Erin Driver and Adam Gushgari and Rolf U. Halden10:
Editors' Biographies
Indexes
Author Index
Subject Index
Preface
Methodology
Wastewater-Based Epidemiology as a Complementary Approach to the Conventional Survey-Based Approach for the Estimation of Community Consumption of Drugs / Bikram Subedi and Dan Burgard1:
Game of Thrones, Breaking Bad, Nicolas Cage, Harry Potter, Pulp Fiction, and More: The Key Ingredients in Teaching Biochemistry to Nonscience Majors / Sean P. Hickey1:
CHEMTERTAINMENT: Using Video Clips from Movies, Television Series, and YouTube To Enhance the Teaching and Learning Experience of an Introductory Chemistry Lecture Class / Elmer-Rico E. Mojica2:
Teaching with Videos and Animations: Tuning in, Getting Turned on, and Building Relationships / Laurie S. Starkey3:
What To Do with Class Time? / Jessica Parr4:
Use of Multimedia Tools in the Chemistry Classroom To Foster Student Participation / Rebecca M. Broyer5:
Video Assessment of Students' Lab Skills / Catherine Skibo6:
Videotaping Experiments in an Analytical Chemistry Laboratory Course at Pace University / Elmer-Rico E. Mojica and Rita K. Upmacis7:
Impact of Student-Created Mechanism Videos in Organic Chemistry 2 Labs / Nirzari Gupta and Jacqueline Nikles8:
Final Thoughts on Videos in Chemistry Education / 9:
Editor Biography
Indexes
Author Index
Preface
Game of Thrones, Breaking Bad, Nicolas Cage, Harry Potter, Pulp Fiction, and More: The Key Ingredients in Teaching Biochemistry to Nonscience Majors / Sean P. Hickey1:
CHEMTERTAINMENT: Using Video Clips from Movies, Television Series, and YouTube To Enhance the Teaching and Learning Experience of an Introductory Chemistry Lecture Class / Elmer-Rico E. Mojica2:
Overview: Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces / Mark R. Hoffmann ; Kenneth G. Dyall1.:
Coupled Cluster Approaches
Simultaneous Account of Dynamic and Nondynamic Correlations Based on Complementarity of CI and CC Approaches / Xiangzhu Li ; Josef Paldus2.:
Method of Moments of Coupled-Cluster Equations: A New Theoretical Framework for Designing "Black-Box" Approaches for Molecular Potential Energy Surfaces / Piotr Piecuch ; Karol Kowalski ; Ian S. O. Pimienta ; Stanislaw A. Kucharski3.:
The Photoelectron Spectrum of the NO[subscript 3] Radical Revisited: A Theoretical Investigation of Potential Energy Surfaces and Conical Intersections / Mark Wladyslawski ; Marcel Nooijen4.:
Coupled Cluster Methods for Bond-Breaking / Martin Head-Gordon ; Troy Van Voorhis ; Steven R. Gwaltney ; Edward F. C. Byrd5.:
State-Specific Multireference Coupled Cluster-Based Methods for Potential Energy Surfaces and Their Approximate Variants / Sudip Chattopadhyay ; Uttam Sinha Mahapatra ; Pradipta Ghosh ; Debashis Mukherjee6.:
Other Electronic Structure Methods
The Excited and Ion States of Allene / Rajat K. Chaudhuri ; Karl F. Freed ; Davin M. Potts7.:
Hamiltonian Matrix Elements for the Table-CI Method Using Genealogical Configuration State Functions / Yuriy G. Khait8.:
Jacob's Ladder for Time-Dependent Density-Functional Theory: Some Rungs on the Way to Photochemical Heaven / Mark E. Casida9.:
Spectral Theory of Chemical Bonding / P. W. Langhoff ; J. A. Boatz ; R. J. Hinde ; J. A. Sheehy10.:
Comparison of CaF, ZnF, CaO, and ZnO: Their Anions and Cations in Their Ground and Low-Lying Excited States / J. F. Harrison ; R. W. Field ; C. C. Jarrold11.:
The X[subscript 1]([superscript 2 Pi subscript 3/2]) and X[subscript 2]([superscript 2 Pi subscript 1/2]) Potentials of the Halogen Monoxides: A Comparison of RKR and Ab Initio Results / Charles E. Miller12.:
Symmetry in Spin-Orbit Coupling / Dmitri G. Fedorov ; Mark S. Gordon13.:
Chemical Dynamics
Non-Adiabatic Bending Dissociation of OCS Induced by Orbital Unlocking / Toshinori Suzuki ; Shinkoh Nanbu14.:
Electronic Structure and Dynamics in the O[subscript 4] System / Ramon Hernandez Lamoneda15.:
Model Studies of Intersystem Crossing Effects in the O + H[subscript 2] Reaction / George C. Schatz16.:
The Challenge of High-Resolution Dynamics: Rotationally Mediated Unimolecular Dissociation of HOCl / Joel M. Bowman ; Sergei Skokov ; Shengli Zou ; Kirk Peterson17.:
The Electronic Adiabatic-to-Diabatic Transformation Matrix and the Irreducible Representation of the Rotation Group / Michael Baer18.:
Larger Systems
Spectroscopic Determination of Potential Energy Surfaces for the Out-of-Plane Ring Vibrations of Indan and Related Molecules in Their S[subscript 0] and S[subscript 1] ([pi], [pi]*) States / J. Laane ; Z. Arp ; S. Sakurai ; K. Morris ; N. Meinander ; T. Klots ; E. Bondoc ; K. Haller ; J. Choo19.:
Semiclassical Time Evolution in the Forward-Backward Stationary-Phase Limit / Nancy Makri ; Jiushu Shao20.:
Development and Application of an Ab Initio Methane-Water Potential for the Study of Phase Equilibria of Methane Hydrates / Zhitao Cao ; Brian J. Anderson ; Jefferson W. Tester ; Bernhardt L. Trout21.:
Indexes
Author Index
Subject Index
Preface
Overview: Accurate Description of Low-Lying Electronic States and Potential Energy Surfaces / Mark R. Hoffmann ; Kenneth G. Dyall1.:
Paramagnetic Resonance of Metallobiomolecules: Introduction and Overview / Joshua Telser1.:
Electron Paramagnetic Resonance and Related Techniques
Electron Spin Echo Methods: A Tutorial / R. David Britt2.:
The Past, Present, and Future of Orientation-Selected ENDOR Analysis: Solving the Challenges of Dipolar-Coupled Nuclei / Peter E. Doan3.:
Effects of Electron Spin Delocalization and Non-Collinearity of Interaction Terms in EPR Triplet Powder Patterns / Steven O. Mansoorabadi ; George H. Reed4.:
EPR Characterization of the Heme Oxygenase Reaction Intermediates and Its Implication for the Catalytic Mechanism / Masao Ikeda-Saito ; Hiroshi Fujii5.:
Paramagnetic Resonance in Mechanistic Studies of Fe-S/Radical Enzymes / Joan B. Broderick ; Charles Walsby ; William E. Broderick ; Carsten Krebs ; Wei Hong ; Danilo Ortillo ; Jennifer Cheek ; Boi Hanh Huynh ; Brian M. Hoffman6.:
EPR and ENDOR Studies of [NiFe] Hydrogenase: Contributions to Understanding the Mechanism of Biological Hydrogen Conversion / Wolfgang Lubitz ; Marc Brecht ; Stefanie Foerster ; Maurice van Gastel ; Matthias Stein7.:
Q-Band ENDOR Studies of the Nitrogenase MoFe Protein under Turnover Conditions: Substrate-Inhibitor-Binding to and Metal-Ion Valencies of the FeMo-Cofactor / Hong-In Lee ; Linda M. Cameron ; Jason Christiansen ; Patricia D. Christie ; Robert C. Pollock ; Rutian Song ; Morten Sorlie ; W. H. Orme-Johnson ; Dennis R. Dean ; Brian J. Hales8.:
Variable Frequency Pulsed EPR Studies of Molybdenum Enzymes: Structure of Molybdenum Enzymes / John H. Enemark ; Andrei V. Astashkin ; Arnold M. Raitsimring9.:
Mn[superscript 2+] Sites Investigated by Advanced EPR Techniques: In-Depth Study of Mn[superscript 2+] Ion-Binding Sites in the Hammerhead Ribozyme / Matthew Vogt ; Victoria J. DeRose10.:
Nuclear Paramagnetic Resonance
Structure and Dynamics of Paramagnetic Proteins by NMR / Milka Kostic ; Thomas C. Pochapsky11.:
An Approach to NMR Treatment of Structural Perturbations in Paramagnetic Proteins too Big for Solution Structure Determination / Judith M. Nocek ; Kai Huang12.:
Proton NMR Characterization of Recombinant Ferric Heme Domains of the Oxygen Sensors FixL and Dos: Evidence for Protein Heterogeneity / James D. Satterlee ; Christine M. Suquet ; Marina I. Savenkova ; Chenyang Lian13.:
NMR Investigation of the Iron-Sulfur Cluster Environment in the Hyperthermostable Ferredoxin from Pyrococcus furiosus / Luigi Calzolai ; Halvard Haarklau ; Philip S. Brereton ; Michael W. W. Adams ; Gerd N. La Mar14.:
Electronic Isomerism in Oxidized High-Potential Iron-Sulfur Proteins Revisited / Ivano Bertini ; Francesco Capozzi ; Claudio Luchinat15.:
Paramagnetic NMR of Electron Transfer Copper Proteins / Claudio O. Fernandez ; Alejandro J. Vila16.:
Applications of Paramagnetic NMR Spectroscopy for Monitoring Transition Metal Complex Stoichiometry and Speciation / Debbie C. Crans ; Luqin Yang ; Ernestas Gaidamauskas ; Raza Khan ; Wenzheng Jin ; Ursula Simonis17.:
Magnetic Circular Dichroism and Related Techniques
Variable-Temperature Variable-Field Magnetic Circular Dichroism Combined with Electron Paramagnetic Resonance: Polarizations of Electronic Transitions in Solution / Edward I. Solomon ; Mindy I. Davis ; Frank Neese ; Monita Y. M. Pau18.:
Magnetic Circular Dichroism Spectroscopy of Pyranopterin Molybdenum Enzymes / Martin L. Kirk19.:
X-ray Magnetic Circular Dichroism: A Primer for Chemists / Stephen P. Cramer20.:
Indexes
Author Index
Subject Index
Preface
Paramagnetic Resonance of Metallobiomolecules: Introduction and Overview / Joshua Telser1.:
Electron Paramagnetic Resonance and Related Techniques
Lawrence B. Ebert, editor ; developed from a symposium sponsored by the Division of Petroleum Chemistry at the 192nd Meeting of the American Chemical Society, Anaheim, California, September 7-12, 1986
出版情報:
Washington, D.C. : American Chemical Society, 1988 xii, 396 p. ; 24 cm
Andrea L. Wayda, editor, Marcetta Y. Darensbourg, editor ; developed from a symposium sponsored by the Division of Inorganic Chemistry at the 190th meeting of the American Chemical Society, Chicago, Illinois, September 8-13, 1985
出版情報:
Washington, D.C. : American Chemical Society, 1987 xii, 299 p. ; 24 cm
Juan A. Asenjo, editor, Juan Hong, editor ; developed from a symposium sponsored by the Division of Microbial and Biochemical Technology at the 190th Meeting of the American Chemical Society, Chicago, Illinois, September 8-13, 1985
出版情報:
Washington, DC : American Chemical Society, 1986 x, 228 p. ; 24 cm
George R. Waller, editor ; developed from a symposium sponsored by the Division of Agricultural and Food Chemistry at the 190th Meeting of the American Chemical Society, Chicago, Illinois, September 8-13, 1985
出版情報:
Washington, DC : The Society, 1987 xviii, 606 p. ; 24 cm
Douglas R. Lloyd, editor ; based on a symposium sponsored by the Division of Polymeric Materials: Science and Engineering at the 187th Meeting of the American Chemical Society, St. Louis, Missouri, April 9-11, 1984
Introduction to Scattering from Polymers / Peggy Cebe1.:
Scattering Methods
Characteristics of Small-Angle Diffraction Data from Semicrystalline Polymers and Their Analysis in Elliptical Coordinates / N. S. Murthy ; D. T. Grubb ; K. Zero2.:
Analysis of SAXS Fiber Patterns by Means of Projections / N. Stribeck3.:
Studying Polymer Interfaces Using Neutron Reflection / D. G. Bucknall ; S. A. Butler ; J. S. Higgins4.:
Neutron Diffraction by Crystalline Polymers / Yasuhiro Takahashi5.:
Simulation of Melting Transitions in Crystalline Polymers / Lucio Toma ; Juan A. Subirana6.:
Neutron Spin Echo Spectroscopy at the NIST Center for Neutron Research / N. Rosov ; S. Rathgeber ; M. Monkenbusch7.:
Polymer Crystallization and Morphology
Isothermal Thickening and Thinning Processes in Low Molecular Weight Poly(ethylene oxide) Fractions Crystallized from the Melt: Effects of Molecular Configurational Defects on Crystallization, Melting, and Annealing / Er-Qiang Chen ; Song-Wook Lee|cAnqiu Zhang ; Bon-Suk Moon ; Ian Mann ; Frank W. Harris ; Stephen Z. D. Cheng ; Benjamin S. Hsiao ; Fengji Yeh ; Ernst D. von Meerwall8.:
Investigating the Mechanisms of Polymer Crystallization by SAXS Experiments / G. Hauser ; J. Schmidtke ; G. Strobl ; T. Thurn-Albrecht9.:
Simultaneous In-Situ SAXS and WAXS Study of Crystallization and Melting Behavior of Metallocene Isotactic Poly(propylene) / Patrick S. Dai ; Malcolm Capel ; Rufina G. Alamo ; Leo Mandelkern10.:
Lamellar Morphology of Narrow PEEK Fractions Crystallized from the Glassy State and from the Melt / M. Dosiere ; C. Fougnies ; M. H. J. Koch ; J. Roovers11.:
Real-Time Crystallization and Melting Study of Ethylene-Based Copolymers by SAXS, WAXD, and DSC Techniques / Weidong Liu ; Henglin Yang ; Richard S. Stein ; Shengsheng Liu ; Baotong Huang12.:
A Scattering Study of Nucleation Phenomena in Homopolymer Melts / Anthony J. Ryan ; Nicholas J. Terrill ; J. Patrick A. Fairclough13.:
Crystallization and Solid-State Structure of Model Poly(ethylene oxide) Blends / James Runt14.:
Transient Rotator Phase Induced Nucleation in n-Alkanes / E. B. Sirota ; A. B. Herhold15.:
Complex Fluids and Biopolymers
Highly Ordered Supramolecular Structures from Self-Assembly of Ionic Surfactants in Oppositely Charged Polyelectrolyte Gels / Shuiqin Zhou ; Christian Burger ; Benjamin Chu16.:
Some Thermodynamic Considerations of the Lower Disorder-to-Order Transition of Diblock Copolymers / M. Pollard ; O. K. C. Tsui ; T. P. Russell ; A. V. Ruzette ; A. M. Mayes ; Y. Gallot17.:
Analysis of the Structure, Interaction, and Viscosity of Pluronic Micelles in Aqueous Solutions by Combined Neutron and Light Scatterings / Yingchun Liu ; S-H Chen18.:
Optical Probe Study of Solutionlike and Meltlike Solutions of High Molecular Weight Hydroxypropylcellulose / Kiril A. Streletzky ; George D. J. Phillies19.:
SANS Studies of Polymers in Organic Solvents and Supercritical Fluids in the Poor, Theta, and Good Solvent Domains / Y. B. Melnichenko ; E. Kiran ; K. Heath ; S. Salaniwal ; H. D. Cochran ; M. Stamm ; W. A. Van Hook ; G. D. Wignall20.:
Destruction of Short-Range Order in Polycarbonate-Ionomer Blends / Ryan Tucker ; Barbara Gabrys ; Wojciech Zajac ; Ken Andersen ; M. S. Kalhoro ; R. A. Weiss21.:
Scattering from Magnetically Oriented Microtubule Biopolymers / Wim Bras ; Gregory P. Diakun ; Richard C. Denny ; Anthony Gleeson ; Claudio Ferrero ; Yehudi K. Levine ; J. Fernando Diaz22.:
Polymers Under Flow
What Is a Model Liquid Crystalline Polymer Solution?: Solvent Effects on the Flow Behavior of LCP Solutions / S. Chidambaram ; P. D. Butler ; W. A. Hamilton ; M. D. Dadmun23.:
X-ray Scattering Measurements of Molecular Orientation in Thermotropic Liquid Crystalline Polymers under Flow / Wesley R. Burghardt ; Victor M. Ugaz ; David K. Cinader, Jr.24.:
X-ray Rheology of Structured Polymer Melts / Geoffrey R. Mitchell ; Elke M. Andresen25.:
Phase Separation Kinetics during Shear in Compatibilized Polymer Blends / Alan I. Nakatani26.:
Block Copolymers
Ultra-Small-Angle X-ray Scattering and Transmission Electron Microscopy Studies Probing Grain Size of Lamellar Sytrene-Butadiene Block Copolymers / Randall T. Myers ; Alexander Karbach ; Anuj Bellare ; Robert E. Cohen27.:
Block Crystallization in Model Triarm Star Block Copolymers with Two Crystallizable Blocks: A Time-Resolved SAXS-WAXD Study / G. Floudas ; G. Reiter ; O. Lambert ; P. Dumas ; F.-J. Yeh ; B. Chu28.:
Temperature- and Pressure-Induced Microphase Separation Transitions of a Polystyrene-block-Butadiene Copolymer Melt / W. De Odorico ; H. Ladynski29.:
Ordering Kinetics between HEX and BCC Microdomains for SI and SIS Block Copolymers / Hee Hyun Lee ; Jin Kon Kim30.:
SAXS and Rheological Studies on the Order-Disorder and Order-Order Transitions in Mixtures of Polystyrene-b-Polyisoprene-b-Polystyrene and Low Molecular Weight PS / Seung-Heon Lee ; Kookheon Char31.:
Thermoreversible Order-Order Transition between Spherical and Cylindrical Microdomain Structures of Block Copolymer / Kohtaro Kimishima ; Tadanori Koga ; Yuko Kanazawa ; Takeji Hashimoto32.:
Indexes
Author Index
Subject Index
Preface
Introduction
Introduction to Scattering from Polymers / Peggy Cebe1.:
Quantitation in Analysis of Polymers by Multiple Detector SEC / Bernd Trathnigg1.:
Use of Multidetector SEC for Determining Local Polydispersity / T. H. Mourey ; K. A. Vu ; S. T. Balke2.:
The Chevron Approach to GPC Axial Dispersion Correction / Wallace W. Yau3.:
Axial Dispersion Correction for the Goldwasser Method of Absolute Polymer M[subscript n] Determination Using SEC-Viscometry / 4.:
Polymer Characterization by High Temperature Size Exclusion Chromatography Employing Molecular Weight Sensitive Detectors / S. J. O'Donohue ; E. Meehan5.:
Use of the Single-Capillary Viscometer Detector, On-Line to a Size Exclusion Chromatography System, with a New Pulse-Free Pump / Raniero Mendichi ; Alberto Giacometti Schieroni6.:
Molecular Weight Characterization of Polymers by Combined GPC and MALDI TOF Mass Spectroscopy / J. L. Dwyer7.:
Quantitation in the Analysis of Oligomers by HPLC with Evaporative Light Scattering Detector / Manfred Kollroser ; Dusan Berek ; Son Hoai Nguyen ; David Hunkeler8.:
Field Flow Fractionation and Coupled Liquid Chromatography Methods
Advantages of Determining the Molar Mass Distributions of Water-Soluble Polymers and Polyelectrolytes with FFFF-MALLS and SEC-MALLS / W.-M. Kulicke ; S. Lange ; D. Heins9.:
Cross-Fractionation of Copolymers Using SEC and Thermal FFF for Determination of Molecular Weight and Composition / Sun Joo Jeon ; Martin E. Schimpf10.:
Colloidal Particles as Immunodiagnostics: Preparation and FFF Characterization / Teresa Basinska ; Karin D. Caldwell11.:
Molecular Characterization of Complex Polymers by Coupled Liquid Chromatographic Procedures / 12.:
Two-Dimensional Liquid Chromatography of Functional Polyethers / M. Parth ; S. Roblreiter13.:
Liquid Chromatography under Limiting Conditions: A Tool for Copolymer Characterization / A. Bartkowiak ; D. Hunkeler14.:
Full Adsorption-Desorption/SEC Coupling in Characterization of Complex Polymers / 15.:
Polymer Applications
Size Exclusion Chromatography-FTIR Analysis of Polyethylene / James N. Willis ; James L. Dwyer ; Xiaojun Liu ; William A. Dark16.:
Factors Affecting Molecular Weight and Branching Analysis of Metallocene Catalyzed Polyolefins Using On-Line GPC with Light Scattering, and Viscometry Detection / Trevor Havard ; Peter Wallace17.:
Characterization of Polyesters and Polyamides Through SEC and Light Scattering Using 1,1,1,3,3,3-Hexafluoro-2-propanol as Eluent / Antonio Moroni18.:
Degradation of Substituted Polyacetylenes and Effect of This Process on SEC Analysis of These Polymers / Jiri Vohlidal ; Jan Sedlacek19.:
Analysis of Polysaccharides by SEC[superscript 3] / D. T. Gillespie ; H. K. Hammons20.:
Application of Multi-Detector SEC With a Post Column Reaction System: Conformational Characterization of PGG-Glucans / Y. A. Guo ; J. T. Park ; A. S. Magee ; G. R. Ostroff21.:
Indexes
Author Index
Subject Index
Preface
Detection and Data Analysis
Quantitation in Analysis of Polymers by Multiple Detector SEC / Bernd Trathnigg1.:
Polymeric Materials for Gas Separations / B. D. Freeman ; I. Pinnau1:
Synthesis and Gas Permeability of Poly(diphenylacetylenes) with Substituents / Toshio Masuda ; Masahiro Teraguchi ; Ryoji Nomura2:
Sorption and Diffusion of n-Alkanes and Alcohols in Poly(1-trimethylsilyl-1-propyne) / F. Doghieri et al3:
Mixed-Gas Permeation Properties and Physical Aging of Poly(4-methyl-2-pentyne) / A. Morisato ; Z. He4:
Aging of Gas Permeability in Poly[1-(trimethylsilyl)-1-propyne] (PTMSP) and PTMSP-Poly(tert-butylacetylene) Blends / T. Nakagawa et al5:
Physical Aging Phenomena in Poly(tert-butylacetylene) Solvent Cast Films: Influence of Operating Conditions / G. Costa et al6:
Effects of Physical Aging on Gas Permeability and Molecular Motion in Poly(1-trimethylsilvyl-1-propyne) / Kazukiyo Nagai et al7:
Free Volume in Polymeric Membrane Materials as Determined by Positron Annihilation Lifetime Spectroscopy / Yuri P. Yampolskii ; Victor P. Shantarovich8:
Facilitated Transport Membranes: Separation of Ethene from Ethane with Silver Ion-Exchanged NafionRG Hollow Fibers / Odd Ivar Eriksen et al9:
Poly(vinyl alcohol)-Silver Nitrate Facilitated Transport Membranes for the Separation of Aromatic and Aliphatic Compounds / Carl A. Koval et al.10:
Effect of Atmospheric Glow Discharge Plasma Treatment on CO2 Permeability and Chemical Structure of Poly(dimethylsiloxane) Membranes / Taisuke Maki et al.11:
Group Contribution Modeling of Gas Transport in Polymeric Membranes / D. V. Laciak ; L. M. Robeson ; C. D. Smith12:
Solubility of Gaseous Mixtures in Glassy Polymers: NELF Predictions / Ferruccio Doghieri ; Michele Canova ; Giulio C. Sarti13:
Relation between Gas Permeabilities and Structure of Polyimides / Yusei Hirayama et al.14:
Regiospecific Polyamide-Imides for Gas Separations / Michael Langsam15:
Permselectivities of Poly(amide imide)s and Similar Poly(ester imide)s as Dense Films and Thin-Film Composite Membranes / Detlev Fritsch16:
Crosslinked Diacetylene-Functionalized Polyimides for Gas Separation Membranes: Polymer Reactivity and Resultant Properties / Birgit Bayer et al.17:
Indan-Containing Polymers for Gas Separation Membranes / Gerhard Maier et al.18:
Gas Separation Properties of Modified Poly(ether ketone[sulfone]) with Phthalic Side Group: Role of Pendant Groups and Physical Cross-Linking on Gas Permeation Properties of Polymers / Jiping Xu ; Zhonggang Wang ; Tianlu Chen19:
Fundamental and Practical Aspects of Mixed Matrix Gas Separation Membranes / Rajiv Mahajan ; Catherine M. Zimmerman ; William J. Koros20:
CO2 Sorption Properties of Annealed Syndiotactic Polystyrene / K. Tsutsui et al.21:
Measurement of Oxygen Permeation in Mixed Gas Systems: An Alternative to Gas Chromatography / N. S. M. Stevens ; M. E. Rezac22:
Author Index
Subject Index
Preface
Polymeric Materials for Gas Separations / B. D. Freeman ; I. Pinnau1:
Synthesis and Gas Permeability of Poly(diphenylacetylenes) with Substituents / Toshio Masuda ; Masahiro Teraguchi ; Ryoji Nomura2:
Quantum Catalysis: The Modeling of Catalytic Transition States / Michael B. Hall ; Peter Margl ; Gabor Naray-Szabo ; Vern L. Schramm ; Donald G. Truhlar ; Rutger A. van Santen ; Arieh Warshel ; Jerry L. Whitten1.:
General and Comparative Studies
Performance of Density Functionals for Transition States / D. R. Salahub ; S. Chretien ; A. Milet ; E. I. Proynov2.:
Transition State Modeling of Asymmetric Epoxidation Catalysts / K. N. Houk ; Jian Liu ; Thomas Strassner3.:
Transition States in Catalysis and Biochemistry / Margareta R. A. Blomberg ; Per E. M. Siegbahn4.:
Enzymes, Abzymes, Chemzymes--Theozymes? / Claudia Muller ; Li-Hsing Wang ; Hendrik Zipse5.:
Solvent as Catalyst: Computational Studies of Organic Reactions in Solution / Dongchul Lim ; Corky Jenson ; Matthew P. Repasky ; William L. Jorgensen6.:
Organometallic Catalysts
Molecular Reaction Modeling from Ab-Initio Molecular Dynamics / Peter E. Blochl ; Hans Martin Senn ; Antonio Togni7.:
Transition States for Proton Transfer Reactions in Late Transition Metal Chemistry and Catalysis: [sigma]-Bond Metathesis Pathways / A. Dedieu ; F. Hutschka8.:
Reaction Mechanisms of Transition Metal Catalyzed Processes / Christian Boehme ; Stefan Dapprich ; Dirk Deubel ; Ulrich Pidun ; Martin Stahl ; Ralf Stegmann ; Gernot Frenking9.:
Catalysis of the Hydrosilation and Bis-Silylation Reactions / Brett M. Bode ; Farhang Raaii ; Mark S. Gordon10.:
Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms 13: Methane, Ethylene, and Acetylene Activation at a Cationic Iridium Center / Shuqiang Niu ; Douglas L. Strout ; Snezana Zaric ; Craig A. Bayse11.:
Transition States for Oxidative Addition to Three-Coordinate Ir (I): H-H, C-H, C-C, and C-F Bond Activation Processes / Karsten Krogh-Jespersen ; Alan S. Goldman12.:
Molecular Mechanics as a Predictive Tool in Asymmetric Catalysis / Per-Ola Norrby13.:
Combined QM/MM and Ab Initio Molecular Dynamics Modeling of Homogeneous Catalysis / T. K. Woo ; P. M. Margl ; L. Deng ; L. Cavallo ; T. Ziegler14.:
Theoretical Study of the Mechanism and Stereochemistry of Molybdenum Alkylidene Catalyzed Ring-Opening Metathesis Polymerization / Yun-Dong Wu ; Zhi-Hui Peng15.:
Theoretical Studies of the N[subscript 2] Cleavage by Three-Coordinate Group 6 Complexes ML[subscript 3] / Djamaladdin G. Musaev ; Qiang Cui ; Mats Svensson ; Keiji Morokuma16.:
Ethylene Polymerization by Zirconocene Catalysis / P. K. Das ; D. W. Dockter ; D. R. Fahey ; D. E. Lauffer ; G. D. Hawkins ; J. Li ; T. Zhu ; C. J. Cramer ; S. Dapprich ; R. D. J. Froese ; M. C. Holthausen ; Z. Liu ; K. Mogi ; S. Vyboishchikov ; D. G. Musaev ; K. Morokuma17.:
Metals and Metalloids as Catalysts
Modeling Transition States for Selective Catalytic Hydrogenation Paths on Transition Metal Surfaces / Matthew Neurock ; Venkataraman Pallassana18.:
Dissociation of N[subscript 2], NO, and CO on Transition Metal Surfaces / M. Mavrikakis ; L. B. Hansen ; J. J. Mortensen ; B. Hammer ; J. K. Norskov19.:
A Theoretical Study of the Mechanism of the Adsorptive Decomposition of Nitrous Oxide on Copper / Peter Wolohan ; William J. Welsh ; Robert Mark Friedman ; Jerry R. Ebner20.:
Theoretical Studies of Ethyl to Ethylene Conversion on Nickel and Platinum / J. L. Whitten ; H. Yang21.:
Electrostatic Stabilization of the Transition-State by a Solid Catalyst: Dissociative Chemisorption of NH[subscript 3] on the Stepped Si(111) Surface / Krisztina Kadas22.:
Catalysis by Metal Oxides and Zeolites
Kinetic Theory and Transition State Simulation of Dynamics in Zeolites / Chandra Saravanan ; Fabien Jousse ; Scott M. Auerbach23.:
Alkylation and Transalkylation Reactions of Aromatics / S. R. Blaszkowski ; R. A. van Santen24.:
Density Functional Study on the Transition State of Methane Activation over Ion-Exchanged ZSM-5 / Yusuke Ueda ; Hirotaka Tsuruya ; Tomonori Kanougi ; Yasunori Oumi ; Momoji Kubo ; Abhijit Chatterjee ; Kazuo Teraishi ; Ewa Broclawik ; Akira Miyamoto25.:
First Principles Study of the Activation of Methane on Defects of Heteropolyanion Structures: A Simple Way to Model Oxide Surfaces / J.-F. Paul ; M. Fournier26.:
Determination of Transition State Structures Using Large Scale Ab-Initio Techniques / E. Sandre ; M. C. Payne ; I. Stich ; J. D. Gale27.:
Acidic Catalysis by Zeolites: Ab Initio Modeling of Transition Structures / Joachim Sauer ; Marek Sierka ; Frank Haase28.:
Molecular Dynamics Simulations of Substrate Dephosphorylation by Low Molecular Weight Protein Tyrosine Phosphatase / Karin Kolmodin ; Tomas Hansson ; Jonas Danielsson ; Johan Aqvist29.:
Transition States in the Reaction Catalyzed by Malate Dehydrogenase / Mark A. Cunningham ; Paul A. Bash30.:
Modelling of Transition States in Condensed Phase Reactivity Studies / Neil A. Burton ; Martin J. Harrison ; Ian H. Hillier ; Nicholas R. Jones ; Duangkamol Tantanak ; Mark A. Vincent31.:
Transition States for N-AcetyIneuramic Acid Glycosyltransfer: Catalysis via a Transition State Hydrogen Bond / Benjamin A. Horenstein32.:
Molecular Dynamics and Quantum Chemical Study of Endonuclease V Catalytic Mechanism / M. Krauss ; N. Luo ; R. Nirmala ; R. Osman33.:
Charge Transfer Interactions in Biology: A New View of the Protein-Water Interface / Gautham Nadig ; Laura C. Van Zant ; Steve L. Dixon ; Kenneth M. Merz, Jr34.:
Modeling the Citrate Synthase Reaction: QM/MM and Small Model Calculations / Adrian J. Mulholland ; W. Graham Richards35.:
Isotope Effects on the ATCase-Catalyzed Reaction / J. Pawlak ; M. H. O'Leary ; P. Paneth36.:
Enzymatic Transition State Structures Constrained by Experimental Kinetic Isotope Effects: Experimental Measurement of Transition State Variability / Paul J. Berti37.:
Energetics and Dynamics of Transition States of Reactions in Enzymes and Solutions / Jorg Bentzien38.:
Indexes
Author Index
Subject Index
Preface
Introduction
Quantum Catalysis: The Modeling of Catalytic Transition States / Michael B. Hall ; Peter Margl ; Gabor Naray-Szabo ; Vern L. Schramm ; Donald G. Truhlar ; Rutger A. van Santen ; Arieh Warshel ; Jerry L. Whitten1.:
Overview of Rational Drug Design / M. Rami Reddy ; Abby L. Parrill1:
Conformational and Energetic Aspects of Receptor-Ligand Recognition / J. D. Hirst et al.2:
New Free Energy Calculation Methods for Structure-Based Drug Design and Prediction of Protein Stability / Lu Wang et al.3:
Binding Evaluation Using the Finite Difference Solution to the Linearized Poisson-Boltzmann Equation and Solvation Entropy Correction / Jian Shen4:
SmoG: A Ligand Design Method Based on Knowledge-Based Parametrization of a Solvent Reorganization Model / Robert S. DeWitte ; Eugene I. Shakhnovich5:
The Evaluation of Multi-Body Dynamics for Studying Ligand-Protein Interactions: Using MBO(N)D to Probe the Unbinding Pathways of Cbz-Val-Phe-Phe-Val-Cbz from the Active Site of HIV-1 Protease / Donovan N. Chin et al.6:
Calculation of Relative Hydration Free Energy Differences for Heteroaromatic Compounds: Use in the Design of AMP Deaminase Inhibitors / Mark D. Erion7:
New Tools for Rational Drug Design / Gregory D. Hawkins et al.8:
Rational Approaches to Inhibition of Human Osteoclast Cathepsin K and Treatment of Osteoporosis / Sherin S. Abdel-Meguid et al.9:
Building a Hypothesis for Nucleotide Transport Inhibitors / K. Raghavan ; Scott D. Kahn ; John K. Buolamwini10:
Unified Pharmacophoric Model for Cannabinoids and Aminoalkylindoles Derived from Molecular Superimposition of CB1 Cannabinoid Receptor Agonists CP55244 and WIN55212-2 / Joong-Youn Shim et al.11:
Structure-Based Design of Novel Conformationally Restricted HIV Protease Inhibitors / B. G. Rao et al.12:
"New Tricks for an Old Dog": Development and Application of Novel QSAR Methods for Rational Design of Combinatorial Chemical Libraries and Database Mining / A. Tropsha ; S. J. Cho ; W. Zheng13:
Molecular Hologram QSAR, Trevor / W. Heritage ; David R. Lowis14:
Adapting Structure-Based Drug Design in the Paradigm of Combinatorial Chemistry and High-Throughput Screening: An Overview and New Examples with Important Caveats for Newcomers to Combinatorial Library Design Using Pharmacophore Models or Multiple Copy Simultaneous Search Fragments / Arup K. Ghose ; Vellarkad N. Viswanadhan ; John J. Wendoloski15:
The Basic Shape Topology of Protein Interfaces / John Lawton ; Melanie Tudor ; W. Todd Wipke16:
Evolutionary Algorithms in Computer-Aided Molecular Design: A Review of Current Applications and a Look to the Future / David E. Clark17:
Further Development of a Genetic Algorithm for Ligand Docking and Its Application to Screening Combinatorial Libraries / Gareth Jones et al.18:
Reduced Dimensionality in Ligand-Protein Structure Prediction: Covalent Inhibitors of Serine Proteases and Design of Site-Directed Combinatorial Libraries / Daniel K. Gehlhaar ; Djamal Bouzida ; Paul A. Rejto19:
Development and Validation of the EVA Descriptor for QSAR Studies / David B ; Turner et al.20:
PRO_ANALOG: Automated Analog Building According to Principles of Medicinal Chemistry / Richard G. A. Bone et. al.21:
Is Rational Design Good for Anything? / Donald B. Boyd22:
Author Index
Subject Index
Preface
Overview of Rational Drug Design / M. Rami Reddy ; Abby L. Parrill1:
Conformational and Energetic Aspects of Receptor-Ligand Recognition / J. D. Hirst et al.2: