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Book
xix, 416 pages : illustrations (some color) ; 24 cm
Analytical Applications of Ionic Liquids reviews the current research in analytic chemistry, covering subjects as diverse as separation science, chromatography, spectroscopy and analytical electrochemistry.As scientific developments have moved into the 21st century, they have increasingly had to take into account the effects on the environment, both locally and globally. Ionic liquids promise entirely new methods for solution chemistry which could improve the quality of measurements and eliminate the negative impact of waste on the environment. Because of this, the search for applications of ionic liquids is growing in every area of analytical chemistry. Here, material is presented by specialists, giving a critical overview of the current literature surrounding this increasingly prominent topic. Analysis is carried out on latest achievements and applications, followed by critical discussion of possible future developments.As well as stimulating further research among established analytical chemists, this book can also be used for undergraduate and graduate courses on chemistry and chemical technology.
(source: Nielsen Book Data)9781786340719 20161219
Science Library (Li and Ma)
Book
1 online resource.
EBSCOhost Access limited to 1 user
Book
1 online resource
  • Front Cover; Applications in High Resolution Mass Spectrometry; Applications in HighResolution Mass Spectrometry: Food Safety and Pesticide Residue Analysis; Copyright; Contents; List of Contributors; Preface; 1
  • HRMS: Fundamentals and Basic Concepts; 1.1 INTRODUCTION (TO HIGH-RESOLUTION MASS SPECTROMETRY); 1.1.1 BASIC CONCEPTS (UNITS AND DEFINITIONS); 1.1.2 LOW-RESOLUTION MASS SPECTROMETRY VERSUS HIGH-RESOLUTION MASS SPECTROMETRY; 1.2 RESOLUTION AND MASS RESOLVING POWER; 1.3 ACCURATE MASS MEASUREMENT: EXACT MASS AND MASS DEFECT; 1.4 MASS CALIBRATION IN HIGH-RESOLUTION MASS SPECTROMETRY
  • 1.5 GENERAL CONSIDERATIONSAcknowledgments; REFERENCES; 2
  • HRMS: Hardware and Software; 2.1 INTRODUCTION; 2.2 PRINCIPLES OF HIGH-RESOLUTION MASS SPECTROMETRY ANALYZERS; 2.2.1 TIME-OF-FLIGHT; 2.2.2 FOURIER TRANSFORM ION CYCLOTRON RESONANCE; 2.2.3 ORBITRAP; 2.3 TIME-OF-FLIGHT MASS SPECTROMETRY: INSTRUMENT CONFIGURATION AND MAIN FEATURES; 2.3.1 STAND-ALONE ELECTROSPRAY IONIZATION TIME-OF-FLIGHT AND HYBRID QUADRUPOLE TIME-OF-FLIGHT INSTRUMENTATION; 2.3.2 IMPROVEMENTS OF CURRENT (QUADRUPOLE) TIME-OF-FLIGHT INSTRUMENTATION; 2.3.3 ION MOBILITY QUADRUPOLE TIME-OF-FLIGHT
  • 2.3.4 HYBRID ION TRAP TIME-OF-FLIGHT2.3.5 GAS CHROMATOGRAPHY-TIME-OF-FLIGHT AND GAS CHROMATOGRAPHY-QUADRUPOLE TIME-OF-FLIGHT; 2.4 ORBITRAP ANALYZERS: INSTRUMENT CONFIGURATIONS AND MAIN FEATURES; 2.5 ACQUISITION MODES IN HIGH-RESOLUTION MASS SPECTROMETRY; 2.5.1 DATA-DEPENDENT ACQUISITION; 2.5.2 DATA-INDEPENDENT ACQUISITION; 2.5.3 POSTACQUISITION APPROACHES; 2.6 DATABASES AND THE INTERNET RESOURCES FOR HIGH-RESOLUTION MASS SPECTROMETRY; Acknowledgments; REFERENCES; 3
  • Analytical Strategies Used in HRMS; 3.1 INTRODUCTION; 3.2 ADVANTAGES OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE ANALYSIS
  • 3.2.1 SELECTIVITY IN HIGH-RESOLUTION MASS SPECTROMETRY: ACCURATE MASS AND RESOLUTION IN QUALITATIVE ANALYSIS3.2.2 IMPROVING SELECTIVITY BY TANDEM MASS SPECTROMETRY INFORMATION; 3.2.3 QUANTITATIVE PERFORMANCE; 3.3 DATA ANALYSIS WORKFLOWS IN HIGH-RESOLUTION MASS SPECTROMETRY; 3.3.1 QUALITATIVE SCREENING METHOD VALIDATION; 3.3.2 NONTARGET ANALYSIS; 3.4 CONCLUSIONS; Acknowledgments; REFERENCES; FURTHER READING; 4
  • Current Legislation on Pesticides; 4.1 INTRODUCTION; 4.2 PESTICIDES; 4.2.1 IDENTITY AND PHYSICOCHEMICAL PROPERTIES; 4.2.2 PESTICIDES CLASSIFICATION
  • 4.2.3 PESTICIDE METABOLITES AND TRANSFORMATION PRODUCTS4.3 LEGISLATION; 4.3.1 PESTICIDES AUTHORIZATION; 4.3.2 MAXIMUM RESIDUE LIMITS; 4.3.3 MONITORING PROGRAMS; 4.4 ANALYTICAL QUALITY CONTROL-METHOD VALIDATION; 4.4.1 GUIDELINES FOR PESTICIDE RESIDUE ANALYSIS; 4.4.1.1 Method Validation for Pesticide Residues; 4.4.1.2 Quality Assurance; 4.4.1.3 Uncertainty; 4.5 MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS; 4.5.1 MASS SPECTROMETRY IDENTIFICATION AND CONFIRMATION; 4.5.2 POTENTIAL OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS; REFERENCES
  • 5
  • Advanced Sample Preparation Techniques for Pesticide Residues Determination by HRMS Analysis
Book
x, 383 pages : illustrations ; 25 cm
  • List of Abbreviations VII Symbols IX 1 What is Chemometrics? 1 1.1 The Computer-Based Laboratory 2 1.2 Statistics and Data Interpretation 10 1.3 Computer-Based Information Systems/Artificial Intelligence 11 General Reading 12 Questions and Problems 13 2 Basic Statistics 15 2.1 Descriptive Statistics 16 2.2 Statistical Tests 28 2.3 Analysis of Variance 44 General Reading 50 Questions and Problems 52 3 Signal Processing and Time Series Analysis 55 3.1 Signal Processing 56 3.2 Time Series Analysis 83 General Reading 90 Questions and Problems 91 4 Optimization and Experimental Design 93 4.1 Systematic Optimization 94 4.2 Objective Functions and Factors 95 4.3 Experimental Design and Response Surface Methods 102 4.4 Sequential Optimization: Simplex Method 125 General Reading 132 Questions and Problems 133 5 Pattern Recognition and Classification 135 5.1 Preprocessing of Data 137 5.2 Unsupervised Methods 140 5.3 Supervised Methods 184 General Reading 209 Questions and Problems 210 6 Modeling 213 6.1 Univariate Linear Regression 214 6.2 Multiple Linear Regression 231 6.3 Nonlinear Methods 258 General Reading 269 Questions and Problems 271 7 Analytical Databases 273 7.1 Representation of Analytical Information 274 7.2 Library Search 286 7.3 Simulation of Spectra 292 General Reading 294 Questions and Problems 295 8 Knowledge Processing and Soft Computing 297 8.1 Artificial Intelligence and Expert Systems 297 8.2 Neural Networks 306 8.3 Fuzzy Theory 321 8.4 Genetic Algorithms and Other Global Search Strategies 334 General Reading 342 Questions and Problems 344 9 Quality Assurance and Good Laboratory Practice 345 9.1 Validation and Quality Control 346 9.2 Accreditation and Good Laboratory Practice 351 General Reading 352 Questions and Problems 353 Appendix 355 Index 371.
  • (source: Nielsen Book Data)9783527340972 20170220
The third edition of this long-selling introductory textbook and ready reference covers all pertinent topics, from basic statistics via modeling and databases right up to the latest regulatory issues. The experienced and internationally recognized author, Matthias Otto, introduces the statistical-mathematical evaluation of chemical measurements, especially analytical ones, going on to provide a modern approach to signal processing, designing and optimizing experiments, pattern recognition and classification, as well as modeling simple and nonlinear relationships. Analytical databases are equally covered as are applications of multiway analysis, artificial intelligence, fuzzy theory, neural networks, and genetic algorithms. The new edition has 10% new content to cover such recent developments as orthogonal signal correction and new data exchange formats, tree based classification and regression, independent component analysis, ensemble methods and neuro-fuzzy systems. It still retains, however, the proven features from previous editions: worked examples, questions and problems, additional information and brief explanations in the margin.
(source: Nielsen Book Data)9783527340972 20170220
Science Library (Li and Ma)
Book
1 online resource.
  • List of Contributors xiii Foreword xv The Structure of "The HPLC-Expert 2" xvii 1 When Should I UseMy UHPLC as a UHPLC? 1Stavros Kromidas 1.1 Introduction 1 1.2 What Do IWant to Achieve and What Is a UHPLC Capable of? 2 1.3 What Is Required from an HPLC Method? 3 1.4 The UHPLC in Routine Use - A Brief Report 17 1.5 How Can the Potential of UHPLC Effectively Be Fully Exploited? (See Also Chapters 2, 3, and 9) 20 1.6 Summary and Outlook 22 References 25 Part I Hardware and Software, Separation Modes, Materials 27 2 The Modern HPLC/UHPLC Device 29 2.1 The Modern HPLC/UHPLC System 29Steffen Wiese and Terence Hetzel Acknowledgment 50 References 50 2.2 TheThermostate of Columns - A Minor Matter 52Michael Heidorn and Frank Steiner 3 The Issue of External Band Broadening in HPLC/UHPLC Devices 73Monika Dittmann 3.1 Introduction 73 3.2 Theoretical Background 74 3.3 Extracolumn Dispersion in (U)HPLC Systems 78 3.4 Impact of External Contributions in Different Application Areas 90 3.5 Optimization of HPLC/UHPLC Systems 94 3.6 Conclusions 97 References 98 4 The Gradient-- Requirements, Optimal Use, Hints, and Pitfalls 101Frank Steiner 4.1 Instrumental Influences in Gradient Elution - An Overview 101 4.2 Gradient Elution Technology and How to Systematically Characterize Gradient Instrumentation 117 References 169 5 Requirements of LC-Hardware for the Coupling of Different Mass Spectrometers 171Terence Hetzel, Thorsten Teutenberg, Christoph Portner, and Jochen Tuerk 5.1 Introduction 171 5.2 From Target Analysis to Screening Approaches 171 5.3 What Should Be Considered for UHPLC/MS Hyphenation? 173 5.4 Target Analysis Using Triple-Quadrupole Mass Spectrometry 178 5.5 Screening Approaches Using LC-MS 185 5.6 Miniaturization - LC-MS Quo Vadis? 189 References 192 6 2D chromatography - Opportunities and limitations 193Thorsten Teutenberg and Juri Leonhardt 6.1 Introduction 193 6.2 Why Two-Dimensional HPLC? 193 6.3 Peak Capacity of One- and Two-Dimensional Liquid Chromatography 195 6.4 Modulation 200 6.5 Practical Problems of Online LC Ã LC 203 6.6 Development of a Miniaturized LCÃ LC System 204 6.7 Real Applications 207 6.8 Advantages of the MS/MS Functionality 211 6.9 General Comments to Specific Aspects of an LC Ã LC System 211 6.10 Method Development and Gradient Programming 215 6.11 Presentations of the Instrument Manufacturers (in Alphabetical Order) 215 6.12 2D LC - Quo Vadis? 217 References 219 7 Materials in HPLC and UHPLC - What to Use for Which Purpose 223Tobias Fehrenbach and Steffen Wiese 7.1 Introduction 223 7.2 Requirements for Materials in UHPLC 225 7.3 Flow Paths in UHPLC Systems 227 7.4 Low-Pressure Flow Path 229 7.5 High-Pressure Flow Path 231 7.6 When and Why Can an Inert UHPLC System Be Required? 248 References 261 Part II Experience Reports, Trends 269 8 What a Software has to Possess in Order to Use the Hardware Optimally 271Arno Simon 8.1 Functionality and Handling 271 8.2 Data Exchange 277 8.3 From PCs Scalability to Global Installation 278 9 Aspects of the Modern HPLC Device - Experience Report of an Operator 281Steffen Wiese and Terence Hetzel 9.1 Introduction 281 9.2 Determination of the Gradient Delay Volume 281 9.3 High-Throughput Separations 285 9.4 Method Transfer between UHPLC Systems of Different Manufacturers 287 9.5 Application of Elevated Temperatures 290 9.6 Large-Volume Injection (LVI) 293 9.7 UHPLC Separation with 1mm ID Columns 296 Acknowledgment 299 References 299 10 Experiences of an Independent Service Engineer - Hints and Recommendations for an Optimal Operation of Agilent and Waters-Devices 301Siegfried Chroustovsky 10.1 Introduction 301 10.2 The Degasser, Principles 301 10.3 The Pump, Principles 303 10.4 The Autosampler, Principles 306 10.5 The UV Detector, Principles 308 11 The Analyte, the Question, and the UHPLC - The Use of UHPLC in Practice 311Stefan Lamotte 11.1 Introduction 311 11.2 When Does It Make Sense to Use UHPLC and When Should I Better Use Conventional HPLC? 311 11.3 Dissolution Tests in Pharmaceutical Industry 313 11.4 Method Development and Optimization 314 11.5 Typical "Classical" Liquid Chromatographic Analysis 314 11.6 Fast (Most Second) Dimension of Multidimensional Chromatography 315 11.7 Separation of (Bio)polymers 316 11.8 Process Analysis (PAT) 316 11.9 Conclusion 316 References 316 12 Report of Device Manufacturers - Article by Agilent, Shimadzu, and ThermoScientific 319 12.1 Agilent Technologies 319Jens Trafkowski References 328 12.2 HPLC Current Status and Future Development 328Bjorn-Thoralf Erxleben 12.3 Thermo Fisher Scientific, Germering 334Frank Steiner About the Authors 349 Index 355.
  • (source: Nielsen Book Data)9783527694952 20170403
How can I use my HPLC/UHPLC equipment in an optimal way, where are the limitations of the technique? These questions are discussed in detail in the sequel of the successful "HPLC Expert" in twelve chapters written by experts in the respective fields. The topics encompass - complementary to the first volume - typical HPLC users' problems and questions such as gradient optimization and hyphenated techniques (LC-MS). An important key aspect of the book is UHPLC: For which analytical problem is it essential, what should be considered? Besides presentation of latest developments directly from the main manufacturers, also UHPLC users and independent service engineers impart their knowledge. Consistent with the target groups, the level is advanced, but the emphasis is on practical applications.
(source: Nielsen Book Data)9783527694952 20170403
Book
1 online resource (xviii, 343 pages).
  • Background
  • Chemical measurement systems and their errors
  • The response, net response and content domains
  • Traditional limits of detection
  • Modern limits of detection
  • Receiver operating characteristics
  • Statistics of an ideal model CMS
  • If only the true intercept is unknown
  • If only the true slope is unknown
  • If the true intercept and true slope are both unknown
  • If only the population standard deviation is unknown
  • If only the true slope is known
  • If only the true intercept is known
  • If all three parameters are unknown
  • Bootstrapped detection limits in a real CMS
  • Four relevant considerations
  • Neyman-Pearson hypothesis testing
  • Heteroscedastic noises
  • Limits of quantitation
  • The sampled step function
  • The sampled rectangular pulse
  • The sampled triangular pulse
  • The sampled Gaussian pulse
  • Parting considerations.
Details methods for computing valid limits of detection. * Clearly explains analytical detection limit theory, thereby mitigating incorrect detection limit concepts, methodologies and results * Extensive use of computer simulations that are freely available to readers * Curated short-list of important references for limits of detection * Videos, screencasts, and animations are provided at an associated website, to enhance understanding * Illustrated, with many detailed examples and cogent explanations.
(source: Nielsen Book Data)9781119188971 20170403

7. Nanobiosensors [2017]

Book
1 online resource.
Nanobiosensors: Nanotechnology in the Agri-Food Industry, Volume 8, provides the latest information on the increasing demand for robust, rapid, inexpensive, and safe alternative technologies that monitor, test, and detect harmful or potentially dangerous foods. Due to their high sensitivity and selectivity, nanobiosensors have attracted attention for their use in monitoring not only biological contaminants in food, but also potential chemical and physical hazards. This book offers a broad overview regarding the current progress made in the field of nanosensors, including cutting-edge technological progress and the impact of these devices on the food industry. Special attention is given to the detection of microbial contaminants and harmful metabolotes, such as toxins and hormones, which have a great impact on both humans and animal health and feed.
Book
1 online resource.
  • List of Contributors xv Series Preface xix Preface xxi 1 Model -Based Preparative Chromatography Process Development in the QbD Paradigm 1 Arne Staby, Satinder Ahuja, and Anurag S. Rathore 1.1 Motivation 1 1.2 Regulatory Context of Preparative Chromatography and Process Understanding 1 1.3 Application of Mathematical Modeling to Preparative Chromatography 6 Acknowledgements 8 References 8 2 Adsorption Isotherms: Fundamentals and Modeling Aspects 11 Jorgen M. Mollerup 2.1 Introduction 11 2.2 Definitions 12 2.3 The Solute Velocity Model 14 2.4 Introduction to the Theory of Equilibrium 17 2.5 Association Equilibria 21 2.6 The Classical Adsorption Isotherm 24 2.7 The Classical Ion Exchange Adsorption Isotherm 26 2.8 Hydrophobic Adsorbents, HIC and RPC 38 2.9 Protein Protein Association and Adsorption Isotherms 47 2.10 The Adsorption Isotherm of a GLP -1 Analogue 51 2.11 Concluding Remarks 59 Appendix 2.A Classical Thermodynamics 60 References 77 3 Simulation of Process Chromatography 81 Bernt Nilsson and Niklas Andersson 3.1 Introduction 81 3.2 Simulation -Based Prediction of Chromatographic Processes 82 3.3 Numerical Methods for Chromatography Simulation 94 3.4 Simulation -Based Model Calibration and Parameter Estimation 96 3.5 Simulation -Based Parametric Analysis of Chromatography 97 3.6 Simulation -Based Optimization of Process Chromatography 101 3.7 Summary 106 Acknowledgement 107 References 108 4 Simplified Methods Based on Mechanistic Models for Understanding and Designing Chromatography Processes for Proteins and Other Biological Products 111 Noriko Yoshimoto and Shuichi Yamamoto 4.1 Introduction 111 4.2 HETP and Related Variables in Isocratic Elution 114 4.3 Linear Gradient Elution (LGE) 120 4.4 Applications of the Model 130 4.5 Summary 145 Appendix 4.A Mechanistic Models for Chromatography 149 Appendix 4.B Distribution Coefficient and Binding Sites [20- 149 References 152 5 Development of Continuous Capture Steps in Bioprocess Applications 159 Frank Riske and Tom Ransohoff 5.1 Introduction 159 5.2 Economic Rationale for Continuous Processing 160 5.3 Developing a Continuous Capture Step 162 5.4 The Operation of MCC Systems 165 5.5 Modeling MCC Operation 167 5.6 Processing Bioreactor Feeds on a Capture MCC 169 5.7 The Future of MCC 171 References 172 6 Computational Modeling in Bioprocess Development 177 Francis Insaidoo, Suvrajit Banerjee, David Roush, and Steven Cramer 6.1 Linkage of Chromatographic Thermodynamics (Affinity, Kinetics, and Capacity) 177 6.2 Binding Maps and Coarse -Grained Modeling 180 6.3 QSPR for Either Classification or Quantification Prediction 188 6.4 All Atoms MD Simulations for Free Solution Studies and Surfaces 192 6.5 Ensemble Average and Comparison of Binding of Different Proteins in Chromatographic Systems 204 6.6 Antibody Homology Modeling and Bioprocess Development 205 6.7 Summary of Gaps and Future State 209 Acknowledgment 212 References 212 7 Chromatographic Scale -Up on a Volume Basis 227 Ernst B. Hansen 7.1 Introduction 227 7.2 Theoretical Background 229 7.3 Proof of Concept Examples 232 7.4 Design Applications: How to Scale up from Development Data 233 7.5 Discussion 240 7.6 Recommendations 242 References 245 8 Scaling Up Industrial Protein Chromatography: Where Modeling Can Help 247 Chris Antoniou, Justin McCue, Venkatesh Natarajan, Jorg Thommes, and Qing Sarah Yuan 8.1 Introduction 247 8.2 Packing Quality: Why and How to Ensure Column Packing Quality Across Scales 248 8.3 Process Equipment: Using CFD to Describe Effects of Equipment Design on Column Performance 257 8.4 Long -Term Column Operation at Scale: Impact of Resin Lot -to -Lot Variability 264 8.5 Closing Remarks 265 References 265 9 High -Throughput Process Development 269 Silvia M. Pirrung and Marcel Ottens 9.1 Introduction to High -Throughput Process Development in Chromatography 269 9.2 Process Development Approaches 271 9.3 Case Descriptions 279 9.4 Future Directions 286 References 286 10 High -Throughput Column Chromatography Performed on Liquid Handling Stations 293 Patrick Diederich and Jurgen Hubbuch 10.1 Introduction 293 10.2 Chromatographic Methods 299 10.3 Results and Discussion 300 10.4 Summary and Conclusion 328 Acknowledgements 329 References 330 11 Lab -Scale Development of Chromatography Processes 333 Hong Li, Jennifer Pollard, and Nihal Tugcu 11.1 Introduction 333 11.2 Methodology and Proposed Workflow 336 11.3 Conclusions 377 Acknowledgments 377 References 377 12 Problem Solving by Using Modeling 381 Martin P. Breil, Soren S. Frederiksen, Steffen Kidal, and Thomas B. Hansen 12.1 Introduction 381 12.2 Theory 382 12.3 Materials and Methods 385 12.4 Determination of Model Parameters 385 12.5 Optimization In Silico 388 12.6 Extra -Column Effects 390 Abbreviations 397 References 398 13 Modeling Preparative Cation Exchange Chromatography of Monoclonal Antibodies 399 Stephen Hunt, Trent Larsen, and Robert J. Todd 13.1 Introduction 399 13.2 Theory 401 13.3 Model Development 403 13.4 Model Application 413 13.5 Conclusions 424 Nomenclature 425 Greek letters 425 References 426 14 Model -Based Process Development in the Biopharmaceutical Industry 429 Lars Sejergaard, Haleh Ahmadian, Thomas B. Hansen, Arne Staby, and Ernst B. Hansen 14.1 Introduction 429 14.2 Molecule FVIII 430 14.3 Overall Process Design 431 14.4 Use of Mathematical Models to Ensure Process Robustness 432 14.5 Experimental Design of Verification Experiments 435 14.6 Discussion 438 14.7 Conclusion 439 Acknowledgements 439 Appendix 14.A Practical MATLAB Guideline to SEC 439 Appendix 14.B Derivation of Models Used for Column Simulations 449 References 455 15 Dynamic Simulations as a Predictive Model for a Multicolumn Chromatography Separation 457 Marc Bisschops and Mark Brower 15.1 Introduction 457 15.2 BioSMB Technology 459 15.3 Protein A Model Description 460 15.4 Fitting the Model Parameters 463 15.5 Case Studies 464 15.6 Results for Continuous Chromatography 469 15.7 Conclusions 475 References 476 16 Chemometrics Applications in Process Chromatography 479 Anurag S. Rathore and Sumit K. Singh 16.1 Introduction 479 16.2 Data Types 480 16.3 Data Preprocessing 481 16.4 Modeling Approaches 485 16.5 Case Studies of Use of Chemometrics in Process Chromatography 490 16.6 Guidance on Performing MVDA 495 References 497 17 Mid -UV Protein Absorption Spectra and Partial Least Squares Regression as Screening and PAT Tool 501 Sigrid Hansen, Nina Brestrich, Arne Staby, and Jurgen Hubbuch 17.1 Introduction 501 17.2 Mid -UV Protein Absorption Spectra and Partial Least Squares Regression 503 17.3 Spectral Similarity and Prediction Precision 511 17.4 Application as a Screening Tool: Analytics for High -Throughput Experiments 516 17.5 Application as a PAT Tool: Selective In -line Quantification and Real -Time Pooling 518 17.6 Case Studies 523 17.7 Conclusion and Outlook 532 References 532 18 Recent Progress Toward More Sustainable Biomanufacturing: Practical Considerations for Use in the Downstream Processing of Protein Products 537 Milton T. W. Hearn 18.1 Introduction 537 18.2 The Impact of Individualized Unit Operations versus Integrated Platform Technologies on Sustainable Manufacturing 543 18.3 Implications of Recycling and Reuse in Downstream Processing of Protein Products Generated by Biotechnological Processes: General Considerations 549 18.4 Metrics and Valorization Methods to Assess Process Sustainability 553 18.5 Conclusions and Perspectives 573 Acknowledgment 573 References 574 Index 583.
  • (source: Nielsen Book Data)9781119031109 20170403
Preparative Chromatography for Separation of Proteins addresses a wide range of modeling, techniques, strategies, and case studies of industrial separation of proteins and peptides. Covers broad aspects of preparative chromatography with a unique combination of academic and industrial perspectives Presents Combines modeling with compliantce useing of Quality-by-Design (QbD) approaches including modeling Features a variety of chromatographic case studies not readily accessible to the general public Represents an essential reference resource for academic, industrial, and pharmaceutical researchers.
(source: Nielsen Book Data)9781119031109 20170403
Book
1 online resource (600 pages) : illustrations.
  • 1. Start of the Implementation of a New HPLC Method 2. Short Overviews of Analytical Techniques Not Containing an Independent Separation Step 3. Short Overviews of the Main Analytical Techniques Containing a Separation Step 4. Basic Information Regarding the HPLC Techniques 5. Properties of Analytes and Matrices Determining HPLC Selection 6. General Aspects Regarding the HPLC Analytical Column 7. RP-HPLC Analytical Columns 8. Polar Analytical Columns 9. Stationary Phases and Columns for Ion Exchange, Ion-Moderated, and Ligand Exchange Chromatography 10. Stationary Phases and Columns for Chiral Chromatography 11. Stationary Phases and Columns for Size Exclusion 12. Stationary Phases and Columns for Immunoaffinity Type Separations 13. Solvents, Buffers, and Additives Used in the Mobile Phase 14. Gradient Elution 15. The Practice of HPLC.
  • (source: Nielsen Book Data)9780128036846 20170313
Selection of the HPLC Method in Chemical Analysis serves as a practical guide to users of high-performance liquid chromatography and provides criteria for method selection, development, and validation. High-performance liquid chromatography (HPLC) is the most common analytical technique currently practiced in chemistry. However, the process of finding the appropriate information for a particular analytical project requires significant effort and pre-existent knowledge in the field. Further, sorting through the wealth of published data and literature takes both time and effort away from the critical aspects of HPLC method selection. For the first time, a systematic approach for sorting through the available information and reviewing critically the up-to-date progress in HPLC for selecting a specific analysis is available in a single book. Selection of the HPLC Method in Chemical Analysis is an inclusive go-to reference for HPLC method selection, development, and validation.
(source: Nielsen Book Data)9780128036846 20170313
Book
1 online resource.
Supercritical Fluid Chromatography is a thorough and encompassing reference that defines the concept of contemporary practice in supercritical fluid chromatography (SFC) and how it should be implemented in laboratory science. Supercritical fluid chromatography is a rapidly developing laboratory technique for the separation and identification of compounds in mixtures. Significant improvements in instrumentation have rekindled interest in supercritical fluid chromatography in recent years and enhanced its standing in the scientific community. Many scientists are familiar with column liquid chromatography and its strengths and weaknesses, but the possibilities brought to the table by SFC are less well-known and underappreciated. Given the changes that have taken place in SFC, this book presents contemporary aspects and applications of the technique, introducing SFC as a natural solution in the larger field of separation science. The focus on state-of-the-art instrumental SFC distinguishes this work as the go-to reference work for those interested in implementing the technique at a more advanced level than is currently used in many laboratories. Edited and authored by world-leading chromatography experts. Provides comprehensive coverage of SFC in a single volume.
Book
1 online resource.
Shale oil and gas have altered the energy landscape, possibly permanently. They burst upon the fossil energy scene with a suddenness that initially defied prediction. Even the political balance of the world has changed. But, with the methods employed, the vast majority of the oil and gas remains in the ground. At the same time, serious environmental impact issues have been raised. A new volume in the Emerging Issues in Analytical Chemistry series, Sustainable Shale Oil and Gas Production: Analytical, Biochemical, and Geochemical Methods was written on the premise that analytical methods to inform these areas were wanting. While not attempting to be comprehensive, it describes important analytical methods, some still in development. These methods are underpinned primarily by chemistry, but geochemistry and even biochemistry play significant roles. The book has a solutions flavor; problems are posed together with approaches to ameliorate them.
Book
1 online resource (778 pages)
  • How To Use This Book-- What is a CDS and its Evolution-- Laboratory Informatics and the Role of a CDS-- Applicable GXP Regulations and Guidance-- Concepts of Computer Validation-- Understanding Life Cycles and SW Classification-- CDS Data Integrity-- CSV Risk Management: System Risk-- Working Electronically-- Specifying User and System Requirements-- Controlling the Validation-- System Selection-- Auditing the Supplier-- Negotiating the Contract and System Purchase-- Planning the Installation-- CSV Risk Management-- Importance of the Traceability Matrix-- Writing the Configuration Specification-- Writing the Technical Specification-- Installing and Integrating System Components-- Designing the Test Suite-- Writing Test Cases-- Executing Test Scripts-- User Training and System Documentation-- IT Support-- System Description-- Defining CDS Raw Data and E-Records-- Validation Summary Report-- Integration in a Regulated Environment-- User Account Management-- Incident and Problem Management-- Change Control and Configuration Management-- On-Going IT Support-- Conducting a Periodic Review-- CDS Records Retention-- System Retirement-- Data Migration Options-- Retrospective Validation.
  • (source: Nielsen Book Data)9781849736626 20170213
Guiding chromatographers working in regulated industries and helping them to validate their chromatography data systems to meet data integrity, business and regulatory needs. This book is a detailed look at the life cycle and documented evidence required to ensure a system is fit for purpose throughout the lifecycle. Initially providing the regulatory, data integrity and system life cycle requirements for computerised system validation, the book then develops into a guide on planning, specifying, managing risk, configuring and testing a chromatography data system before release. This is followed by operational aspects such as training, integration and IT support and finally retirement. All areas are discussed in detail with case studies and practical examples provided as appropriate. The book has been carefully written and is right up to date including recently released FDA data integrity guidance. It provides detailed guidance on good practice and expands on the first edition making it an invaluable addition to a chromatographer's book shelf.
(source: Nielsen Book Data)9781849736626 20170213
Book
17 p. : digital, PDF file.
Despite decades of research on the reactivity and stable isotope properties of Fe oxides, the ability to describe the redox behavior of Fe oxides in the environment is still quite limited. This is due, in large part, to the analytical and spatial complexities associated with studying microscopic processes at the Fe oxide-water interface. This project had the long-term vision of filling this gap by developing a detailed understanding of the relationship between interfacial ET processes, surface structure and charge, and mineral semiconducting properties. We focused on the Fe(III)-oxides and oxyhydroxides because of their geochemical preponderance, versatility in synthesis of compositionally, structurally, and morphologically tailored phases, and because they are amenable to a wide range of surface and bulk properties characterization. In particular, reductive transformation of phases such as hematite (α-Fe<sub>2</sub>O<sub>3</sub>) and goethite (α-FeOOH) in aqueous solution can serve as excellent model systems for studies of electron conduction processes, as well as provide valuable insights into effect of nanoscale conductive materials on contaminant fate at DOE sites. More specifically, the goal of the Iowa component of this project was to use stable Fe isotope measurements to simultaneously measure isotope specific oxidation states and concentrations of Fe at the hematite-water and goethite-water interface. This work builds on our previous work where we used an innovative combination of <sup>57</sup>Fe Mössbauer spectroscopy and high precision isotope ratio measurements (MC-ICP-MS) to probe the dynamics of the reaction of aqueous Fe(II) with goethite. Mössbauer spectroscopy detects <sup>57</sup>Fe only among all other Fe isotopes and we have capitalized on this to spectroscopically demonstrate Fe(II)-Fe(III) electron transfer between sorbed Fe(II) and Fe(III) oxides (Handler, et al., 2009; Gorski, et al. 2010; Rosso et al., 2010). By combining the Mössbauer spectroscopy and stable isotopes measurements, we have been able to simultaneously track the oxidation state and isotope concentration of the bulk Fe oxide and aqueous Fe. One of our most compelling findings is that despite the apparent stability of the Fe(II)-goethite system, there is actually a tremendous amount of Fe atom cycling occurring between the aqueous phase and the bulk goethite as indicated by the isotopic composition of both phases approaching the mass balance average (Handler et al., 2009). How such extensive re-crystallization and Fe atom exchange can occur with no significant morphological change is a fascinating question. Based on previous work from PI Rosso’s group showing that a potential gradient across hematite crystal faces leads to conduction through hematite and growth and dissolution at separate crystal faces we proposed that a redox-driven recrystallization could be occurring that would explain the extensive mixing observed with the isotope data. From our previous studies utilizing Mössbauer spectroscopy, we know that sorption of Fe(II) onto goethite results in electron transfer between the sorbed Fe(II) and the structural Fe(III) in goethite. Oxidation of the sorbed Fe(II) produces growth of goethite on goethite (i.e., homoepitaxy), as well as injection of an electron into goethite. It is possible that electron transfer from sorbed Fe(II) occurs across a potential gradient, and that Fe(II) atoms are dissolved at a different location on the goethite surface. These newly-reduced Fe(II) atoms could then dissolve into the aqueous phase, exposing fresh Fe(III) goethite to the aqueous phase. Through a repeated series of these five steps of sorption–electron transfer–crystal growth–conduction– dissolution, a redox-driven conveyor belt, could be established that would allow all of the goethite to be eventually exposed to the aqueous phase and exchanged. This surface-mediated recrystallization process would result in similar Fe isotope distributions i...
Book
1 online resource (p. 2825–2831 ) : digital, PDF file.
<sup>13</sup>C-Metabolic Flux Analysis (<sup>13</sup>C-MFA) is rapidly being recognized as the authoritative method for determining fluxes through metabolic networks. Site-specific <sup>13</sup>C enrichment information obtained using NMR spectroscopy is a valuable input for <sup>13</sup>C-MFA experiments. Chemical shift overlaps in the 1D or 2D NMR experiments typically used for <sup>13</sup>C-MFA frequently hinder assignment and quantitation of site-specific <sup>13</sup>C enrichment. Here we propose the use of a 3D TOCSY-HSQC experiment for <sup>13</sup>C-MFA. We employ Non-Uniform Sampling (NUS) to reduce the acquisition time of the experiment to a few hours, making it practical for use in <sup>13</sup>C-MFA experiments. Our data show that the NUS experiment is linear and quantitative. Identification of metabolites in complex mixtures, such as a biomass hydrolysate, is simplified by virtue of the <sup>13</sup>C chemical shift obtained in the experiment. In addition, the experiment reports <sup>13</sup>C-labeling information that reveals the position specific labeling of subsets of isotopomers. As a result, the information provided by this technique will enable more accurate estimation of metabolic fluxes in larger metabolic networks.
Book
9 p. : digital, PDF file.
<p>We report here the synthesis of a neutral viologen derivative, C<sub>24</sub>H<sub>16</sub>N<sub>2</sub>O<sub>4</sub>·2H<sub>2 </sub>O. The non-solvent portion of the structure (<italic>Z</italic>-Lig) is a zwitterion, consisting of two positively charged pyridinium cations and two negatively charged carboxylate anions. The carboxylate group is almost coplanar [dihedral angle = 2.04 (11)°] with the benzene ring, whereas the dihedral angle between pyridine and benzene rings is 46.28 (5)°. The<italic>Z</italic>-Lig molecule is positioned on a center of inversion (Fig. 1). The presence of the twofold axis perpendicular to the<italic>c</italic>-glide plane in space group<italic>C</italic>2/c generates a screw-axis parallel to the<italic>b</italic>axis that is shifted from the origin by 1/4 in the<bold>a</bold>and<bold>c</bold>directions. This screw-axis replicates the molecule (and solvent water molecules) through space. The<italic>Z</italic>-Lig molecule links to adjacent molecules<italic>via</italic>O—H...O hydrogen bonds involving solvent water molecules as well as intermolecular C—H...O interactions. There are also π–π interactions between benzene rings on adjacent molecules.</p>
Book
1 online resource (11 p. ) : digital, PDF file.
This is a Laboratory Analytical Procedure (LAP) for bio-oil analysis.
Book
1 online resource.
An acid-functionalized polyolefin material that can be used as an acid catalyst in a wide range of acid-promoted chemical reactions, wherein the acid-functionalized polyolefin material includes a polyolefin backbone on which acid groups are appended. Also described is a method for the preparation of the acid catalyst in which a precursor polyolefin is subjected to ionizing radiation (e.g., electron beam irradiation) of sufficient power and the irradiated precursor polyolefin reacted with at least one vinyl monomer having an acid group thereon. Further described is a method for conducting an acid-promoted chemical reaction, wherein an acid-reactive organic precursor is contacted in liquid form with a solid heterogeneous acid catalyst comprising a polyolefin backbone of at least 1 micron in one dimension and having carboxylic acid groups and either sulfonic acid or phosphoric acid groups appended thereto.
Book
1 online resource (12 p. ) : digital, PDF file.
In this study, the Fischer-Tropsch synthesis (FTS) reaction is one of the most promising processes to convert alternative energy sources, such as natural gas, coal or biomass, into liquid fuels and other high-value products. Despite its commercial implementation, we still lack fundamental insights into the various deactivation processes taking place during FTS. In this work, a combination of three methods for studying single catalyst particles at different length scales has been developed and applied to study the deactivation of Co/TiO<sub>2</sub> Fischer-Tropsch synthesis (FTS) catalysts. By combining transmission X-ray microscopy (TXM), scanning transmission X-ray microscopy (STXM) and scanning transmission electron microscopy-electron energy loss spectroscopy (STEM-EELS) we visualized changes in the structure, aggregate size and distribution of supported Co nanoparticles that occur during FTS. At the microscale, Co nanoparticle aggregates are transported over several μm leading to a more homogeneous Co distribution, while at the nanoscale Co forms a thin layer of ~1-2 nm around the TiO<sub>2</sub> support. The formation of the Co layer is the opposite case to the “classical” strong metal-support interaction (SMSI) in which TiO<sub>2</sub> surrounds the Co, and is possibly related to the surface oxidation of Co metal nanoparticles in combination with coke formation. In other words, the observed migration and formation of a thin CoO<sub>x</sub> layer are similar to a previously discussed reaction-induced spreading of metal oxides across a TiO<sub>2</sub> surface.
Book
1 online resource.
  • Employing 'second generation' matrices.- (MA)LDI MS mass spectrometry imaging at high specificity and sensitivity.- Techniques for fingermark analysis using MALDI MS - a practical overview.- Whole/Intact Cell MALDI MS Biotyping in Mammalian Cell Analyis.- MALDI biotyping for microorganism identification in clinical microbiology.- Future applications of MALDI-TOF MS in microbiology.- MALDESI: Fundamentals, direct analysis, and MS imaging.- Microprobe MS Imaging of Live Tissues, Cells, and Bacterial Colonies using LAESI.- Efficient production of multiply charged MALDI ions.- Food Authentication by MALDI MS - MALDI-TOF MS Analysis of Fish Species.- Quantitative MALDI MS using Ionic Liquid Matrices.- Disease profiling by MALDI MS analysis of biofluids.- Ionic Liquids and other liquid matrices for sensitive MALDI MS analysis.- Coupling liquid MALDI MS to liquid chromatography.
  • (source: Nielsen Book Data)9783319048185 20160619
This book covers the state-of-the-art of modern MALDI (matrix-assisted laser desorption/ionization) and its applications. New applications and improvements in the MALDI field such as biotyping, clinical diagnosis, forensic imaging, and ESI-like ion production are covered in detail. Additional topics include MS imaging, biotyping/speciation and large-scale, high-speed MS sample profiling, new methods based on MALDI or MALDI-like sample preparations, and the advantages of ESI to MALDI MS analysis. This is an ideal book for graduate students and researchers in the field of bioanalytical sciences. This book also: * Showcases new techniques and applications in MALDI MS * Demonstrates how MALDI is preferable to ESI (electrospray ionization) * Illustrates the pros and cons associated with biomarker discovery studies in clinical proteomics and the various application areas, such as cancer proteomics.
(source: Nielsen Book Data)9783319048185 20160619
The current invention describes methods and compositions of various sorbents based on aerogels of various silanes and their use as sorbent for carbon dioxide. Methods further provide for optimizing the compositions to increase the stability of the sorbents for prolonged use as carbon dioxide capture matrices.

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