Book
online resource (xv, 333 pages) : illustrations (some color)
  • Mass spectrometry in clinical laboratory : applications in biomolecular analysis / Uttam Garg and Yan Victoria Zhang
  • Quantification of free carnitine and acylcarnitines in plasma or serum using HPLC/MS/MS / David Scott, Bryce Heese, and Uttam Garg
  • Quantification of arginine and its methylated derivatives in plasma by high-performance liquid chromatography tandem mass spectrometry (LC-MS/MS) / Faye B. Vicente ... [et al.]
  • Quantitation of albumin in urine by liquid chromatography tandem mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Quantitation of aldosterone in serum or plasma using liquid chromatography-tandem mass spectrometry (LC- MS/MS) / J. Grace Van Der Gugten and Daniel T. Holmes
  • Quantification of five clinically important amino acids by HPLC-Triple TOF 5600 based on pre-column double derivatization method / Shuang Deng, David Scott, and Uttam Garg
  • Sensitive, simple, and robust nano-liquid chromatography-mass spectrometry method for amyloid protein subtyping / Drew Payto, Courtney Heideloff, and Sihe Wang
  • Quantitation of ubiquinone (coenzyme Q10) in serum/plasma using liquid chromatography electrospray tandem mass spectrometry (ESI-LC-MS/MS) / Richard E. Mathieu Jr. and Catherine P. Riley
  • Quantitative analysis of salivary cortisol using LC-MS/MS / Yan Victoria Zhang
  • Quantification of dihydroxyacetone phosphate (DHAP) in human red blood cells by HPLC-TripleTOF 5600 mass spectrometer / Shuang Deng ... [et al.]
  • Simultaneous quantitation of estradiol and sstrone in serum using liquid chromatography mass spectrometry / Catherine P. Riley, Richard E. Mathieu Jr., and Carmen Wiley
  • Direct measurement of free estradiol in human serum and plasma by equilibrium dialysis-liquid chromatography-tandem mass spectrometry / Julie A. Ray ... [et al.]
  • Quantification of γ-aminobutyric acid in cerebrospinal fluid using liquid chromatography-electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Quantitation of insulin analogues in serum using immunoaffinity extraction, liquid chromatography, and tandem mass spectrometry / J. Grace Van Der Gugten, Sophia Wong, and Daniel T. Holmes
  • Quantitation of insulin-like growth factor 1 in serum by liquid chromatography high resolution accurate-mass mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Quantitation of free metanephrines in plasma by liquid chromatography-tandem mass spectrometry / Courtney Heideloff, Drew Payto, and Sihe Wang
  • Quantification of metanephrine and normetanephrine in urine using liquid chromatography-tandem mass spectrometry / Jessica Gabler and Sihe Wang
  • High-throughput analysis of methylmalonic acid in serum, plasma, and urine by LC-MS/MS. Method for analyzing isomers without chromatographic separation / Mark M. Kushnir ... [et al.]
  • Quantitation of 5-methyltetrahydrofolate in cerebrospinal fluid using liquid chromatography-electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Quantitative organic acids in urine by two dimensional gas chromatography-time of flight mass spectrometry (GCxGC-TOFMS) / Lawrence Sweetman, Paula Ashcraft, and Jeanna Bennett-Firmin
  • High sensitivity measurement of pancreatic polypeptide and its variant in serum and plasma by LC-MS/MS / Hernando Escobar ... [et al.]
  • Quantitation of parathyroid hormone in serum or plasma by liquid chromatography-tandem mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Determination of phenylalanine and tyrosine by high performance liquid chromatography-tandem mass spectrometry / Judy Peat and Uttam Garg
  • Urine purine metabolite determination by UPLC-tandem mass spectrometry / Qin Sun
  • Urine pyrimidine metabolite determination by HPLC tandem mass spectrometry / Qin Sun
  • Quantitation of plasma renin activity in plasma using liquid chromatography-tandem mass spectrometry (LC- MS/MS) / J. Grace Van Der Gugten and Daniel T. Holmes
  • Quantitation of S-adenosylmethionine and S-adenosylhomocysteine in plasma using liquid chromatography electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Simple, high-throughput method for analysis of ceramide, glucosylceramide, and ceramide trihexoside in dried blood spots by LC/MS/MS / Wei-Lien Chuang, Joshua Pacheco, and Kate Zhang
  • Quantification of dehydroepiandrosterone, 11-Deoxycortisol, 17-Hydroxyprogesterone, and testosterone by liquid chromatography-tandem mass spectrometry (LC/MS/MS) / Ada Munar, Clint Frazee, and Uttam Garg
  • Urinary succinylacetone analysis by gas chromatography-mass spectrometry (GC-MS) / Hongjie Chen and Chunli Yu
  • Quantification of 1,25-Dihydroxyvitamin D2 and D3 in serum using liquid chromatography-tandem mass spectrometry / Jonathon Mahlow, Dustin R. Bunch, and Sihe Wang
  • High-throughput serum 25-hydroxy vitamin D testing with automated sample preparation / Judy Stone
  • Quantitation of 25-OH-Vitamin-D2 and 25-OH-Vitamin-D3 in urine using LC-MS/MS / Dean C. Carlow, Ryan C. Schofield, and Michelle Denburg.
  • Mass spectrometry in clinical laboratory : applications in biomolecular analysis / Uttam Garg and Yan Victoria Zhang
  • Quantification of free carnitine and acylcarnitines in plasma or serum using HPLC/MS/MS / David Scott, Bryce Heese, and Uttam Garg
  • Quantification of arginine and its methylated derivatives in plasma by high-performance liquid chromatography tandem mass spectrometry (LC-MS/MS) / Faye B. Vicente ... [et al.]
  • Quantitation of albumin in urine by liquid chromatography tandem mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Quantitation of aldosterone in serum or plasma using liquid chromatography-tandem mass spectrometry (LC- MS/MS) / J. Grace Van Der Gugten and Daniel T. Holmes
  • Quantification of five clinically important amino acids by HPLC-Triple TOF 5600 based on pre-column double derivatization method / Shuang Deng, David Scott, and Uttam Garg
  • Sensitive, simple, and robust nano-liquid chromatography-mass spectrometry method for amyloid protein subtyping / Drew Payto, Courtney Heideloff, and Sihe Wang
  • Quantitation of ubiquinone (coenzyme Q10) in serum/plasma using liquid chromatography electrospray tandem mass spectrometry (ESI-LC-MS/MS) / Richard E. Mathieu Jr. and Catherine P. Riley
  • Quantitative analysis of salivary cortisol using LC-MS/MS / Yan Victoria Zhang
  • Quantification of dihydroxyacetone phosphate (DHAP) in human red blood cells by HPLC-TripleTOF 5600 mass spectrometer / Shuang Deng ... [et al.]
  • Simultaneous quantitation of estradiol and sstrone in serum using liquid chromatography mass spectrometry / Catherine P. Riley, Richard E. Mathieu Jr., and Carmen Wiley
  • Direct measurement of free estradiol in human serum and plasma by equilibrium dialysis-liquid chromatography-tandem mass spectrometry / Julie A. Ray ... [et al.]
  • Quantification of γ-aminobutyric acid in cerebrospinal fluid using liquid chromatography-electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Quantitation of insulin analogues in serum using immunoaffinity extraction, liquid chromatography, and tandem mass spectrometry / J. Grace Van Der Gugten, Sophia Wong, and Daniel T. Holmes
  • Quantitation of insulin-like growth factor 1 in serum by liquid chromatography high resolution accurate-mass mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Quantitation of free metanephrines in plasma by liquid chromatography-tandem mass spectrometry / Courtney Heideloff, Drew Payto, and Sihe Wang
  • Quantification of metanephrine and normetanephrine in urine using liquid chromatography-tandem mass spectrometry / Jessica Gabler and Sihe Wang
  • High-throughput analysis of methylmalonic acid in serum, plasma, and urine by LC-MS/MS. Method for analyzing isomers without chromatographic separation / Mark M. Kushnir ... [et al.]
  • Quantitation of 5-methyltetrahydrofolate in cerebrospinal fluid using liquid chromatography-electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Quantitative organic acids in urine by two dimensional gas chromatography-time of flight mass spectrometry (GCxGC-TOFMS) / Lawrence Sweetman, Paula Ashcraft, and Jeanna Bennett-Firmin
  • High sensitivity measurement of pancreatic polypeptide and its variant in serum and plasma by LC-MS/MS / Hernando Escobar ... [et al.]
  • Quantitation of parathyroid hormone in serum or plasma by liquid chromatography-tandem mass spectrometry / Hemamalini Ketha and Ravinder J. Singh
  • Determination of phenylalanine and tyrosine by high performance liquid chromatography-tandem mass spectrometry / Judy Peat and Uttam Garg
  • Urine purine metabolite determination by UPLC-tandem mass spectrometry / Qin Sun
  • Urine pyrimidine metabolite determination by HPLC tandem mass spectrometry / Qin Sun
  • Quantitation of plasma renin activity in plasma using liquid chromatography-tandem mass spectrometry (LC- MS/MS) / J. Grace Van Der Gugten and Daniel T. Holmes
  • Quantitation of S-adenosylmethionine and S-adenosylhomocysteine in plasma using liquid chromatography electrospray tandem mass spectrometry / Erland Arning and Teodoro Bottiglieri
  • Simple, high-throughput method for analysis of ceramide, glucosylceramide, and ceramide trihexoside in dried blood spots by LC/MS/MS / Wei-Lien Chuang, Joshua Pacheco, and Kate Zhang
  • Quantification of dehydroepiandrosterone, 11-Deoxycortisol, 17-Hydroxyprogesterone, and testosterone by liquid chromatography-tandem mass spectrometry (LC/MS/MS) / Ada Munar, Clint Frazee, and Uttam Garg
  • Urinary succinylacetone analysis by gas chromatography-mass spectrometry (GC-MS) / Hongjie Chen and Chunli Yu
  • Quantification of 1,25-Dihydroxyvitamin D2 and D3 in serum using liquid chromatography-tandem mass spectrometry / Jonathon Mahlow, Dustin R. Bunch, and Sihe Wang
  • High-throughput serum 25-hydroxy vitamin D testing with automated sample preparation / Judy Stone
  • Quantitation of 25-OH-Vitamin-D2 and 25-OH-Vitamin-D3 in urine using LC-MS/MS / Dean C. Carlow, Ryan C. Schofield, and Michelle Denburg.
Medical Library (Lane)
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Medical Library (Lane) Status
Check Lane Library catalog for status
SPRINGER PROTOCOLS Unknown
Book
xii, 298 p. : ill. ; 25 cm
Biology Library (Falconer)
Status of items at Biology Library (Falconer)
Biology Library (Falconer) Status
Stacks
QP519.9 .M3 G46 2016 Unavailable On order Request
Book
1 online resource.
  • An Introduction to Ambient Ionization Mass Spectrometry-- Direct Analysis in real time (DART(R))-- Ionization Mechanisms of Direct Analysis in Real Time (DART)-- Atmospheric Samples Analysis Probe (ASAP) Mass Spectrometry-- Ambient Analysis by Thermal Desorption Atmospheric Pressure Photoionization-- Low Temperature Plasma Probe-- Flowing Atmospheric Pressure Afterglow (FAPA), the Plasma-based Source for your ADI-MS needs-- Spray Desorption Collection and DESI Mechanisms-- Easy Ambient Sonic-Spray Ionization-- Secondary Electrospray Ionization-- Probe Electrospray Ionization-- Desorption Electrospray Mass Spectrometry-- Surface Acoustic Wave Nebulization-- Laser Ablation Electrospray Ionization Mass Spectrometry: Mechanisms, Configurations and Imaging Applications-- Electrospray Laser Desorption Ionization Mass Spectrometry-- Paper Spray-- Inlet and Vacuum Ionization from Ambient Conditions-- Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry-- Laser Ablation Electrospray Ionization Mass Spectrometry (LAESI(R)-MS): Ambient Ionization Technology for 2D and 3D Molecular Imaging-- Liquid Extraction Surface Analysis Mass Spectrometry (LESA MS): Combining Liquid Extraction, Surface Profiling and Ambient Ionization Mass Spectrometry in One Novel Analysis Technique-- Subject Index.
  • (source: Nielsen Book Data)
Ambient ionization has emerged as one of the hottest and fastest growing topics in mass spectrometry enabling sample analysis with minimal sample preparation. Introducing the subject and explaining the basic concepts and terminology, this book will provide a comprehensive, unique treatise devoted to the subject. Written by acknowledged experts, there are full descriptions on how new ionization techniques work, with an overview of their strengths, weaknesses and applications. This title will bring the reader right up to date, with both applications and theory, and will be suitable as a tutorial text for those starting in the field from a variety of disciplines.
(source: Nielsen Book Data)
  • An Introduction to Ambient Ionization Mass Spectrometry-- Direct Analysis in real time (DART(R))-- Ionization Mechanisms of Direct Analysis in Real Time (DART)-- Atmospheric Samples Analysis Probe (ASAP) Mass Spectrometry-- Ambient Analysis by Thermal Desorption Atmospheric Pressure Photoionization-- Low Temperature Plasma Probe-- Flowing Atmospheric Pressure Afterglow (FAPA), the Plasma-based Source for your ADI-MS needs-- Spray Desorption Collection and DESI Mechanisms-- Easy Ambient Sonic-Spray Ionization-- Secondary Electrospray Ionization-- Probe Electrospray Ionization-- Desorption Electrospray Mass Spectrometry-- Surface Acoustic Wave Nebulization-- Laser Ablation Electrospray Ionization Mass Spectrometry: Mechanisms, Configurations and Imaging Applications-- Electrospray Laser Desorption Ionization Mass Spectrometry-- Paper Spray-- Inlet and Vacuum Ionization from Ambient Conditions-- Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry-- Laser Ablation Electrospray Ionization Mass Spectrometry (LAESI(R)-MS): Ambient Ionization Technology for 2D and 3D Molecular Imaging-- Liquid Extraction Surface Analysis Mass Spectrometry (LESA MS): Combining Liquid Extraction, Surface Profiling and Ambient Ionization Mass Spectrometry in One Novel Analysis Technique-- Subject Index.
  • (source: Nielsen Book Data)
Ambient ionization has emerged as one of the hottest and fastest growing topics in mass spectrometry enabling sample analysis with minimal sample preparation. Introducing the subject and explaining the basic concepts and terminology, this book will provide a comprehensive, unique treatise devoted to the subject. Written by acknowledged experts, there are full descriptions on how new ionization techniques work, with an overview of their strengths, weaknesses and applications. This title will bring the reader right up to date, with both applications and theory, and will be suitable as a tutorial text for those starting in the field from a variety of disciplines.
(source: Nielsen Book Data)
Book
xxii, 378 pages : illustrations (some color) ; 25 cm
  • List of Contributors XIII Preface XVII Abbreviations XIX 1 Introduction to Mass Spectrometry, a Tutorial 1 Wilfried M.A. Niessen and David Falck 1.1 Introduction 1 1.2 Figures of Merit 1 1.2.1 Introduction 1 1.2.2 Resolution 2 1.2.3 Mass Accuracy 4 1.2.4 General Data Acquisition in MS 5 1.3 Analyte Ionization 6 1.3.1 Introduction 6 1.3.2 Electrospray Ionization 8 1.3.3 Matrix-Assisted Laser Desorption Ionization 10 1.3.4 Other Ionization Methods 10 1.3.5 Solvent and Sample Compatibility Issues 11 1.4 Mass Analyzer Building Blocks 12 1.4.1 Introduction 12 1.4.2 Quadrupole Mass Analyzer 13 1.4.3 Ion-Trap Mass Analyzer 13 1.4.4 Time-of-Flight Mass Analyzer 15 1.4.5 Fourier Transform Ion Cyclotron Resonance Mass Spectrometer 16 1.4.6 Orbitrap Mass Analyzer 17 1.4.7 Ion Detection 18 1.5 Tandem Mass Spectrometry 18 1.5.1 Introduction: Tandem-in-Time and Tandem-in-Space 18 1.5.2 Ion Dissociation Techniques 20 1.5.3 Tandem Quadrupole MS MS Instruments 21 1.5.4 Ion-Trap MSn Instruments 23 1.5.5 Tandem TOF (TOF TOF) Instruments 23 1.5.6 Hybrid Instruments (Q TOF, Q LIT, IT TOF) 24 1.5.7 MS MS and MSn in FT-ICR-MS 26 1.5.8 Orbitrap-Based Hybrid Systems 27 1.5.9 Ion-Mobility Spectrometry Mass Spectrometry 28 1.6 Data Interpretation and Analytical Strategies 30 1.6.1 Data Acquisition in MS Revisited 30 1.6.2 Quantitative Bioanalysis and Residue Analysis 31 1.6.3 Identification of Small-Molecule Known Unknowns 32 1.6.4 Identification of Drug Metabolites 33 1.6.5 Protein Molecular Weight Determination 37 1.6.6 Peptide Fragmentation and Sequencing 38 1.6.7 General Proteomics Strategies: Top-Down, Middle-Down, Bottom-Up 39 1.7 Conclusion and Perspectives 43 References 43 Part I Direct MS Based Affinity Techniques 55 2 Studying Protein Protein Interactions by Combining Native Mass Spectrometry and Chemical Cross-Linking 57 Michal Sharon and Andrea Sinz 2.1 Introduction 57 2.2 Protein Analysis by Mass Spectrometry 58 2.3 Native MS 59 2.3.1 Instrumentation for High-mass ion Detection 60 2.3.2 Defining the Exact Mass of the Composing Subunits 60 2.3.3 Analyzing the Intact Complex 61 2.4 Chemical Cross-linking MS 64 2.4.1 Types of Cross-linkers 64 2.4.2 MS/MS Cleavable Cross-linkers 66 2.4.3 Data Analysis 68 2.5 Value of Combining NativeMS with Chemical Cross-linkingMS 68 2.6 Regulating the Giant 69 2.7 Capturing Transient Interactions 70 2.8 An Integrative Approach for Obtaining Low-Resolution Structures of Native Protein Complexes 72 2.9 Future Directions 73 References 74 3 Native Mass Spectrometry Approaches Using Ion Mobility-Mass Spectrometry 81 Frederik Lermyte, Esther Marie Martin, Albert Konijnenberg, Filip Lemiere, and Frank Sobott 3.1 Introduction 81 3.2 Sample Preparation 82 3.3 Electrospray Ionization 84 3.4 Mass Analyzers and Tandem MS Approaches 88 3.5 Ion Mobility 90 3.6 Data Processing 95 3.7 Challenges and Future Perspectives 98 References 102 Part II LC MS Based with Indirect Assays 109 4 Methodologies for Effect-Directed Analysis: Environmental Applications, Food Analysis, and Drug Discovery 111 Willem Jonker, Marja Lamoree, Corine J. Houtman, and Jeroen Kool 4.1 Introduction 111 4.2 Principle of Traditional Effect-Directed Analysis 113 4.3 Sample Preparation 113 4.3.1 Environmental Analysis 113 4.3.2 Food Analysis 121 4.3.3 Drug Discovery 124 4.4 Fractionation for Bioassay Testing 126 4.4.1 Environmental Analysis 126 4.4.2 Food Analysis 130 4.4.3 Drug Discovery 131 4.5 Miscellaneous Approaches 133 4.6 Bioassay Testing 136 4.6.1 Environmental Analysis 136 4.6.2 Food Analysis 140 4.6.3 Drug Discovery 140 4.7 Identification and Confirmation Process 141 4.7.1 Instrumentation 141 4.7.2 Data Analysis 143 4.8 Conclusion and Perspectives 148 References 149 5 MS Binding Assays 165 Georg Hofner and Klaus T.Wanner 5.1 Introduction 165 5.2 MS Binding Assays Strategy 167 5.2.1 Analogies and Differences Compared to Radioligand Binding Assays 167 5.2.2 Fundamental Assay Considerations 169 5.2.3 Fundamental Analytical Considerations 170 5.3 Application of MS Binding Assays 171 5.3.1 MS Binding Assays for the GABA Transporter GAT1 171 5.3.2 MS Binding Assays for the Serotonin Transporter 183 5.3.3 MS Binding Assays Based on the Quantitation of the Nonbound Marker 187 5.3.4 Other Examples Following the Concept of MS Binding Assays 189 5.4 Summary and Perspectives 191 Acknowledgments 192 References 192 6 Metabolic Profiling Approaches for the Identification of Bioactive Metabolites in Plants 199 Emily Pipan and Angela I. Calderon 6.1 Introduction to Plant Metabolic Profiling 199 6.2 Sample Collection and Processing 200 6.3 Hyphenated Techniques 203 6.3.1 Liquid Chromatography Mass Spectrometry 203 6.3.2 Gas Chromatography Mass Spectrometry 206 6.3.3 Capillary Electrophoresis Mass Spectrometry 207 6.4 Mass Spectrometry 207 6.4.1 Time of Flight 208 6.4.2 Quadrupole Mass Filter 208 6.4.3 Ion Traps (Orbitrap and Linear Quadrupole (LTQ)) 209 6.4.4 Fourier Transform Mass Spectrometry 210 6.4.5 Ion Mobility Mass Spectrometry 210 6.5 Mass Spectrometric Imaging 210 6.5.1 MALDI-MS 211 6.5.2 SIMS-MS 212 6.5.3 DESI-MS 212 6.5.4 LAESI-MS 213 6.5.5 LDI-MS and Others for Imaging 213 6.6 Data Analysis 214 6.6.1 Data Processing 214 6.6.2 Data Analysis Methods 214 6.6.3 Databases 215 6.7 Future Perspectives 216 References 216 7 Antivenomics: A Proteomics Tool for Studying the Immunoreactivity of Antivenoms 227 Juan J. Calvete, Jose Maria Gutierrez, Libia Sanz, Davinia Pla, and Bruno Lomonte 7.1 Introduction 227 7.2 Challenge of Fighting Human Envenoming by Snakebites 227 7.3 Toolbox for Studying the Immunological Profile of Antivenoms 228 7.4 First-Generation Antivenomics 229 7.5 Snake Venomics 230 7.6 Second-Generation Antivenomics 232 7.7 Concluding Remarks 236 Acknowledgments 236 References 236 Part III Direct Pre- and On-Column Coupled Techniques 241 8 Frontal and Zonal Affinity Chromatography Coupled to Mass Spectrometry 243 Nagendra S. Singh, Zhenjing Jiang, and Ruin Moaddel 8.1 Introduction 243 8.2 Frontal Affinity Chromatography 244 8.3 Staircase Method 247 8.4 Simultaneous Frontal Analysis of a Complex Mixture 249 8.5 Multiprotein Stationary Phase 252 8.6 Zonal Chromatography 253 8.7 Nonlinear Chromatography 260 Acknowledgments 265 References 265 9 Online Affinity Assessment and Immunoaffinity Sample Pretreatment in Capillary Electrophoresis Mass Spectrometry 271 Rob Haselberg and Govert W. Somsen 9.1 Introduction 271 9.2 Capillary Electrophoresis 272 9.3 Affinity Capillary Electrophoresis 276 9.3.1 Dynamic Equilibrium ACE (Fast Complexation Kinetics) 276 9.3.2 Pre-Equilibrium ACE (Slow Complexation Kinetics) 279 9.3.3 Kinetic ACE (Intermediate Complexation Kinetics) 280 9.4 Immunoaffinity Capillary Electrophoresis 281 9.5 Capillary Electrophoresis Mass Spectrometry 283 9.5.1 General Requirements for Effective CE MS Coupling 283 9.5.2 Specific Requirements for ACE MS and IA-CE-MS 284 9.6 Application of ACE MS 286 9.7 Applications of IA-CE MS 292 9.8 Conclusions 295 References 296 10 Label-Free Biosensor Affinity Analysis Coupled to Mass Spectrometry 299 David Bonnel, Dora Mehn, and Gerardo R. Marchesini 10.1 Introduction to MS-Coupled Biosensor Platforms 299 10.2 Strategies for Coupling Label-Free Analysis with Mass Spectrometry 301 10.2.1 On-Chip Approaches 301 10.2.2 Off-Chip Configurations 305 10.2.3 Chip Capture and Release Chromatography Electrospray-MS 306 10.3 New Sensor and MS Platforms, Opportunities for Integration 307 10.3.1 Imaging Nanoplasmonics 307 10.3.2 EvanescentWave SiliconWaveguides 308 10.3.3 New Trends in MS Matrix-Free Ion Sources 309 10.3.4 Tag-Mass 310 10.3.5 Integration 310 References 310 Part IV Direct Post Column Coupled Affinity Techniques 317 11 High-Resolution Screening: Post-Column Continuous-Flow Bioassays 319 David Falck, Wilfried M.A. Niessen, and Jeroen Kool 11.1 Introduction 319 11.1.1 Variants of On-line Post-Column Assays Using Mass Spectrometry 321 11.1.2 Targets and Analytes 328 11.2 The High-Resolution Screening Platform 330 11.2.1 Separation 330 11.2.2 Flow Splitting 334 11.2.3 Bioassay 336 11.2.4 MS Detection 340 11.3 Data Analysis 342 11.3.1 Differences between HRS and HTS 342 11.3.2 Validation 350 11.4 Conclusions and Perspectives 353 11.4.1 The Relation of On-line Post-Column Assays to Other Formats 353 11.4.2 Trends in High-Resolution Screening 354 11.4.3 Conclusions 357 References 358 12 Conclusions 365 Jeroen Kool Index 373.
  • (source: Nielsen Book Data)
This monograph reviews all relevant technologies based on mass spectrometry that are used to study or screen biological interactions in general. Arranged in three parts, the text begins by reviewing techniques nowadays almost considered classical, such as affinity chromatography and ultrafiltration, as well as the latest techniques. The second part focusses on all MS-based methods for the study of interactions of proteins with all classes of biomolecules. Besides pull down-based approaches, this section also emphasizes the use of ion mobility MS, capture-compound approaches, chemical proteomics and interactomics. The third and final part discusses other important technologies frequently employed in interaction studies, such as biosensors and microarrays. For pharmaceutical, analytical, protein, environmental and biochemists, as well as those working in pharmaceutical and analytical laboratories.
(source: Nielsen Book Data)
  • List of Contributors XIII Preface XVII Abbreviations XIX 1 Introduction to Mass Spectrometry, a Tutorial 1 Wilfried M.A. Niessen and David Falck 1.1 Introduction 1 1.2 Figures of Merit 1 1.2.1 Introduction 1 1.2.2 Resolution 2 1.2.3 Mass Accuracy 4 1.2.4 General Data Acquisition in MS 5 1.3 Analyte Ionization 6 1.3.1 Introduction 6 1.3.2 Electrospray Ionization 8 1.3.3 Matrix-Assisted Laser Desorption Ionization 10 1.3.4 Other Ionization Methods 10 1.3.5 Solvent and Sample Compatibility Issues 11 1.4 Mass Analyzer Building Blocks 12 1.4.1 Introduction 12 1.4.2 Quadrupole Mass Analyzer 13 1.4.3 Ion-Trap Mass Analyzer 13 1.4.4 Time-of-Flight Mass Analyzer 15 1.4.5 Fourier Transform Ion Cyclotron Resonance Mass Spectrometer 16 1.4.6 Orbitrap Mass Analyzer 17 1.4.7 Ion Detection 18 1.5 Tandem Mass Spectrometry 18 1.5.1 Introduction: Tandem-in-Time and Tandem-in-Space 18 1.5.2 Ion Dissociation Techniques 20 1.5.3 Tandem Quadrupole MS MS Instruments 21 1.5.4 Ion-Trap MSn Instruments 23 1.5.5 Tandem TOF (TOF TOF) Instruments 23 1.5.6 Hybrid Instruments (Q TOF, Q LIT, IT TOF) 24 1.5.7 MS MS and MSn in FT-ICR-MS 26 1.5.8 Orbitrap-Based Hybrid Systems 27 1.5.9 Ion-Mobility Spectrometry Mass Spectrometry 28 1.6 Data Interpretation and Analytical Strategies 30 1.6.1 Data Acquisition in MS Revisited 30 1.6.2 Quantitative Bioanalysis and Residue Analysis 31 1.6.3 Identification of Small-Molecule Known Unknowns 32 1.6.4 Identification of Drug Metabolites 33 1.6.5 Protein Molecular Weight Determination 37 1.6.6 Peptide Fragmentation and Sequencing 38 1.6.7 General Proteomics Strategies: Top-Down, Middle-Down, Bottom-Up 39 1.7 Conclusion and Perspectives 43 References 43 Part I Direct MS Based Affinity Techniques 55 2 Studying Protein Protein Interactions by Combining Native Mass Spectrometry and Chemical Cross-Linking 57 Michal Sharon and Andrea Sinz 2.1 Introduction 57 2.2 Protein Analysis by Mass Spectrometry 58 2.3 Native MS 59 2.3.1 Instrumentation for High-mass ion Detection 60 2.3.2 Defining the Exact Mass of the Composing Subunits 60 2.3.3 Analyzing the Intact Complex 61 2.4 Chemical Cross-linking MS 64 2.4.1 Types of Cross-linkers 64 2.4.2 MS/MS Cleavable Cross-linkers 66 2.4.3 Data Analysis 68 2.5 Value of Combining NativeMS with Chemical Cross-linkingMS 68 2.6 Regulating the Giant 69 2.7 Capturing Transient Interactions 70 2.8 An Integrative Approach for Obtaining Low-Resolution Structures of Native Protein Complexes 72 2.9 Future Directions 73 References 74 3 Native Mass Spectrometry Approaches Using Ion Mobility-Mass Spectrometry 81 Frederik Lermyte, Esther Marie Martin, Albert Konijnenberg, Filip Lemiere, and Frank Sobott 3.1 Introduction 81 3.2 Sample Preparation 82 3.3 Electrospray Ionization 84 3.4 Mass Analyzers and Tandem MS Approaches 88 3.5 Ion Mobility 90 3.6 Data Processing 95 3.7 Challenges and Future Perspectives 98 References 102 Part II LC MS Based with Indirect Assays 109 4 Methodologies for Effect-Directed Analysis: Environmental Applications, Food Analysis, and Drug Discovery 111 Willem Jonker, Marja Lamoree, Corine J. Houtman, and Jeroen Kool 4.1 Introduction 111 4.2 Principle of Traditional Effect-Directed Analysis 113 4.3 Sample Preparation 113 4.3.1 Environmental Analysis 113 4.3.2 Food Analysis 121 4.3.3 Drug Discovery 124 4.4 Fractionation for Bioassay Testing 126 4.4.1 Environmental Analysis 126 4.4.2 Food Analysis 130 4.4.3 Drug Discovery 131 4.5 Miscellaneous Approaches 133 4.6 Bioassay Testing 136 4.6.1 Environmental Analysis 136 4.6.2 Food Analysis 140 4.6.3 Drug Discovery 140 4.7 Identification and Confirmation Process 141 4.7.1 Instrumentation 141 4.7.2 Data Analysis 143 4.8 Conclusion and Perspectives 148 References 149 5 MS Binding Assays 165 Georg Hofner and Klaus T.Wanner 5.1 Introduction 165 5.2 MS Binding Assays Strategy 167 5.2.1 Analogies and Differences Compared to Radioligand Binding Assays 167 5.2.2 Fundamental Assay Considerations 169 5.2.3 Fundamental Analytical Considerations 170 5.3 Application of MS Binding Assays 171 5.3.1 MS Binding Assays for the GABA Transporter GAT1 171 5.3.2 MS Binding Assays for the Serotonin Transporter 183 5.3.3 MS Binding Assays Based on the Quantitation of the Nonbound Marker 187 5.3.4 Other Examples Following the Concept of MS Binding Assays 189 5.4 Summary and Perspectives 191 Acknowledgments 192 References 192 6 Metabolic Profiling Approaches for the Identification of Bioactive Metabolites in Plants 199 Emily Pipan and Angela I. Calderon 6.1 Introduction to Plant Metabolic Profiling 199 6.2 Sample Collection and Processing 200 6.3 Hyphenated Techniques 203 6.3.1 Liquid Chromatography Mass Spectrometry 203 6.3.2 Gas Chromatography Mass Spectrometry 206 6.3.3 Capillary Electrophoresis Mass Spectrometry 207 6.4 Mass Spectrometry 207 6.4.1 Time of Flight 208 6.4.2 Quadrupole Mass Filter 208 6.4.3 Ion Traps (Orbitrap and Linear Quadrupole (LTQ)) 209 6.4.4 Fourier Transform Mass Spectrometry 210 6.4.5 Ion Mobility Mass Spectrometry 210 6.5 Mass Spectrometric Imaging 210 6.5.1 MALDI-MS 211 6.5.2 SIMS-MS 212 6.5.3 DESI-MS 212 6.5.4 LAESI-MS 213 6.5.5 LDI-MS and Others for Imaging 213 6.6 Data Analysis 214 6.6.1 Data Processing 214 6.6.2 Data Analysis Methods 214 6.6.3 Databases 215 6.7 Future Perspectives 216 References 216 7 Antivenomics: A Proteomics Tool for Studying the Immunoreactivity of Antivenoms 227 Juan J. Calvete, Jose Maria Gutierrez, Libia Sanz, Davinia Pla, and Bruno Lomonte 7.1 Introduction 227 7.2 Challenge of Fighting Human Envenoming by Snakebites 227 7.3 Toolbox for Studying the Immunological Profile of Antivenoms 228 7.4 First-Generation Antivenomics 229 7.5 Snake Venomics 230 7.6 Second-Generation Antivenomics 232 7.7 Concluding Remarks 236 Acknowledgments 236 References 236 Part III Direct Pre- and On-Column Coupled Techniques 241 8 Frontal and Zonal Affinity Chromatography Coupled to Mass Spectrometry 243 Nagendra S. Singh, Zhenjing Jiang, and Ruin Moaddel 8.1 Introduction 243 8.2 Frontal Affinity Chromatography 244 8.3 Staircase Method 247 8.4 Simultaneous Frontal Analysis of a Complex Mixture 249 8.5 Multiprotein Stationary Phase 252 8.6 Zonal Chromatography 253 8.7 Nonlinear Chromatography 260 Acknowledgments 265 References 265 9 Online Affinity Assessment and Immunoaffinity Sample Pretreatment in Capillary Electrophoresis Mass Spectrometry 271 Rob Haselberg and Govert W. Somsen 9.1 Introduction 271 9.2 Capillary Electrophoresis 272 9.3 Affinity Capillary Electrophoresis 276 9.3.1 Dynamic Equilibrium ACE (Fast Complexation Kinetics) 276 9.3.2 Pre-Equilibrium ACE (Slow Complexation Kinetics) 279 9.3.3 Kinetic ACE (Intermediate Complexation Kinetics) 280 9.4 Immunoaffinity Capillary Electrophoresis 281 9.5 Capillary Electrophoresis Mass Spectrometry 283 9.5.1 General Requirements for Effective CE MS Coupling 283 9.5.2 Specific Requirements for ACE MS and IA-CE-MS 284 9.6 Application of ACE MS 286 9.7 Applications of IA-CE MS 292 9.8 Conclusions 295 References 296 10 Label-Free Biosensor Affinity Analysis Coupled to Mass Spectrometry 299 David Bonnel, Dora Mehn, and Gerardo R. Marchesini 10.1 Introduction to MS-Coupled Biosensor Platforms 299 10.2 Strategies for Coupling Label-Free Analysis with Mass Spectrometry 301 10.2.1 On-Chip Approaches 301 10.2.2 Off-Chip Configurations 305 10.2.3 Chip Capture and Release Chromatography Electrospray-MS 306 10.3 New Sensor and MS Platforms, Opportunities for Integration 307 10.3.1 Imaging Nanoplasmonics 307 10.3.2 EvanescentWave SiliconWaveguides 308 10.3.3 New Trends in MS Matrix-Free Ion Sources 309 10.3.4 Tag-Mass 310 10.3.5 Integration 310 References 310 Part IV Direct Post Column Coupled Affinity Techniques 317 11 High-Resolution Screening: Post-Column Continuous-Flow Bioassays 319 David Falck, Wilfried M.A. Niessen, and Jeroen Kool 11.1 Introduction 319 11.1.1 Variants of On-line Post-Column Assays Using Mass Spectrometry 321 11.1.2 Targets and Analytes 328 11.2 The High-Resolution Screening Platform 330 11.2.1 Separation 330 11.2.2 Flow Splitting 334 11.2.3 Bioassay 336 11.2.4 MS Detection 340 11.3 Data Analysis 342 11.3.1 Differences between HRS and HTS 342 11.3.2 Validation 350 11.4 Conclusions and Perspectives 353 11.4.1 The Relation of On-line Post-Column Assays to Other Formats 353 11.4.2 Trends in High-Resolution Screening 354 11.4.3 Conclusions 357 References 358 12 Conclusions 365 Jeroen Kool Index 373.
  • (source: Nielsen Book Data)
This monograph reviews all relevant technologies based on mass spectrometry that are used to study or screen biological interactions in general. Arranged in three parts, the text begins by reviewing techniques nowadays almost considered classical, such as affinity chromatography and ultrafiltration, as well as the latest techniques. The second part focusses on all MS-based methods for the study of interactions of proteins with all classes of biomolecules. Besides pull down-based approaches, this section also emphasizes the use of ion mobility MS, capture-compound approaches, chemical proteomics and interactomics. The third and final part discusses other important technologies frequently employed in interaction studies, such as biosensors and microarrays. For pharmaceutical, analytical, protein, environmental and biochemists, as well as those working in pharmaceutical and analytical laboratories.
(source: Nielsen Book Data)
Biology Library (Falconer)
Status of items at Biology Library (Falconer)
Biology Library (Falconer) Status
Stacks
QP519.7 .A535 2015 Unknown
Book
1 online resource.
Anthropic Awareness: The Human Aspects of Scientific Thinking in NMR Spectroscopy and Mass Spectrometry blends psychology, philosophy, physics, mathematics, and chemistry, describing a human-centered philosophy of the essence of scientific thinking in the natural sciences and in everyday life. It addresses the reasons why we are prone to make errors in our conclusions and how to avoid such mistakes, also exploring a number of the "mental traps" that can lead to both individual mistakes and mass misconceptions. The book advocates that by understanding the nature of these mental traps we can adopt tactics to safely evade them. It includes Illustrative examples of common scientific misunderstandings and mental traps in both the theory and real-life application of NMR spectroscopy and mass spectrometry.
Anthropic Awareness: The Human Aspects of Scientific Thinking in NMR Spectroscopy and Mass Spectrometry blends psychology, philosophy, physics, mathematics, and chemistry, describing a human-centered philosophy of the essence of scientific thinking in the natural sciences and in everyday life. It addresses the reasons why we are prone to make errors in our conclusions and how to avoid such mistakes, also exploring a number of the "mental traps" that can lead to both individual mistakes and mass misconceptions. The book advocates that by understanding the nature of these mental traps we can adopt tactics to safely evade them. It includes Illustrative examples of common scientific misunderstandings and mental traps in both the theory and real-life application of NMR spectroscopy and mass spectrometry.
Book
1 online resource.
Hg is a wide-spread contaminant in the environment and is toxic in all of its various forms. Organomercurials (RHg+) and mercuric ion (Hg2+) directly inactivate proteins by binding to their cysteine or selenocysteine residues. In our previous collaborative project involving the Summers, Miller and Lipton laboratories, we developed a high-throughput, mass spectrometry-based global proteomics approach using the 7 stable isotopes of Hg to identify proteins from phenylmercury-exposed E. coli cells that form stable PhHg-adducts. The two overall objectives of this subsequent collaborative project were (1) to expand our novel organomercury-proteomics capability for use with inorganic ionic (HgX2) exposure and (2) to use this new capability to identify Hg-protein adducts in methylating and non-methylating Desulfovibrio exposed to inorganic ionic HgX2 and test whether those identified uniquely in methylating bacteria are involved in the methylation pathway. The specific objectives and accomplishments of the Miller lab in this project included: Development of algorithms for analysis of the Hg-proteomic mass spectrometry data to identify and quantify Hg-adducted peptides and other trends in the data.
Hg is a wide-spread contaminant in the environment and is toxic in all of its various forms. Organomercurials (RHg+) and mercuric ion (Hg2+) directly inactivate proteins by binding to their cysteine or selenocysteine residues. In our previous collaborative project involving the Summers, Miller and Lipton laboratories, we developed a high-throughput, mass spectrometry-based global proteomics approach using the 7 stable isotopes of Hg to identify proteins from phenylmercury-exposed E. coli cells that form stable PhHg-adducts. The two overall objectives of this subsequent collaborative project were (1) to expand our novel organomercury-proteomics capability for use with inorganic ionic (HgX2) exposure and (2) to use this new capability to identify Hg-protein adducts in methylating and non-methylating Desulfovibrio exposed to inorganic ionic HgX2 and test whether those identified uniquely in methylating bacteria are involved in the methylation pathway. The specific objectives and accomplishments of the Miller lab in this project included: Development of algorithms for analysis of the Hg-proteomic mass spectrometry data to identify and quantify Hg-adducted peptides and other trends in the data.
Book
1 online resource : illustrations (some color)
Volume 9: Historical Perspectives, Part A: The Development of Mass Spectrometry of The Encyclopedia of Mass Spectrometry describes and analyzes the development of many aspects of Mass Spectrometry. Beginning with the earliest types of Mass Analyzers, Historical Perspectives explores the development of many different forms of analytical processes and methods. The work follows various instruments and interfaces, to the current state of detectors and computerization. It traces the use of Mass Spectrometry across many different disciplines, including Organic Chemistry, Biochemistry, and Proteomics; Environmental Mass Spectrometry; Forensic Science; Imaging; Medical Monitoring and Diagnosis; Earth and Planetary Sciences; and Nuclear Science. Finally, the book covers the history of manufacturers and societies as well as the professionals who form the Mass Spectrometry community. Also available: Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry briefly reviews the lives and works of many of the major people who carried out this development. * Preserves the history and development of Mass Spectrometry for use across scientific fields * Written and edited by Mass Spectrometry experts* Coordinates with Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry, a collection of short biographies on many of the major people who carried out this development.
(source: Nielsen Book Data)
Volume 9: Historical Perspectives, Part A: The Development of Mass Spectrometry of The Encyclopedia of Mass Spectrometry describes and analyzes the development of many aspects of Mass Spectrometry. Beginning with the earliest types of Mass Analyzers, Historical Perspectives explores the development of many different forms of analytical processes and methods. The work follows various instruments and interfaces, to the current state of detectors and computerization. It traces the use of Mass Spectrometry across many different disciplines, including Organic Chemistry, Biochemistry, and Proteomics; Environmental Mass Spectrometry; Forensic Science; Imaging; Medical Monitoring and Diagnosis; Earth and Planetary Sciences; and Nuclear Science. Finally, the book covers the history of manufacturers and societies as well as the professionals who form the Mass Spectrometry community. Also available: Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry briefly reviews the lives and works of many of the major people who carried out this development. * Preserves the history and development of Mass Spectrometry for use across scientific fields * Written and edited by Mass Spectrometry experts* Coordinates with Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry, a collection of short biographies on many of the major people who carried out this development.
(source: Nielsen Book Data)
Book
1 online resource : illustrations (some color)
  • Cover; The Encyclopedia ofMass Spectrometry; Contents; Foreword; Preface to Volume 9, Part B; Introduction to Part B: Criteria for Inclusion in these Biographies of Notable People in Mass Spectrometry; References; Arthur John Ahearn; References; Claude Jean Allègre; References; Francis William Aston; References; Kenneth Tompkins Bainbridge; References; Michael Barber; References; Hans-Dieter Beckey; References; Alfred Benninghoven; References; John Herbert Beynon; References; Klaus Biemann; References; Walker Bleakney; References; John Hamilton Bowie; References; Harrison Scott Brown.
  • William J. HenzelReferences; David Michael Hercules; References; Zdenecaronk Herman; References; Richard Franz Karl Herzog; References; Franz Hillenkamp; References; Heinrich Hintenberger; References; John Alfred Hipple, Jr.; References; John Leonard Holmes; References; Richard Edward Honig; References; Evan Charles Horning and Marjorie Groothuis Horning; References; Robert Samuel Houk; References; Donald Frederick Hunt; References; Mark G. Inghram; References; Keith R. Jennings; References; Michael Karas; References; Paul Kebarle; References; Charles Kemball; References; Frederick W. Lampe.
Volume 9: Historical Perspectives, Part A: The Development of Mass Spectrometry of The Encyclopedia of Mass Spectrometry describes and analyzes the development of many aspects of Mass Spectrometry. Beginning with the earliest types of Mass Analyzers, Historical Perspectives explores the development of many different forms of analytical processes and methods. The work follows various instruments and interfaces, to the current state of detectors and computerization. It traces the use of Mass Spectrometry across many different disciplines, including Organic Chemistry, Biochemistry, and Proteomic.
  • Cover; The Encyclopedia ofMass Spectrometry; Contents; Foreword; Preface to Volume 9, Part B; Introduction to Part B: Criteria for Inclusion in these Biographies of Notable People in Mass Spectrometry; References; Arthur John Ahearn; References; Claude Jean Allègre; References; Francis William Aston; References; Kenneth Tompkins Bainbridge; References; Michael Barber; References; Hans-Dieter Beckey; References; Alfred Benninghoven; References; John Herbert Beynon; References; Klaus Biemann; References; Walker Bleakney; References; John Hamilton Bowie; References; Harrison Scott Brown.
  • William J. HenzelReferences; David Michael Hercules; References; Zdenecaronk Herman; References; Richard Franz Karl Herzog; References; Franz Hillenkamp; References; Heinrich Hintenberger; References; John Alfred Hipple, Jr.; References; John Leonard Holmes; References; Richard Edward Honig; References; Evan Charles Horning and Marjorie Groothuis Horning; References; Robert Samuel Houk; References; Donald Frederick Hunt; References; Mark G. Inghram; References; Keith R. Jennings; References; Michael Karas; References; Paul Kebarle; References; Charles Kemball; References; Frederick W. Lampe.
Volume 9: Historical Perspectives, Part A: The Development of Mass Spectrometry of The Encyclopedia of Mass Spectrometry describes and analyzes the development of many aspects of Mass Spectrometry. Beginning with the earliest types of Mass Analyzers, Historical Perspectives explores the development of many different forms of analytical processes and methods. The work follows various instruments and interfaces, to the current state of detectors and computerization. It traces the use of Mass Spectrometry across many different disciplines, including Organic Chemistry, Biochemistry, and Proteomic.
Book
xviii, 606 p. : ill.
  • Liquid Chromatography-- UHPLC-- Sample Treatment-- Mass Spectrometry-- High Resolution Mass Spectrometry-- Sub-2mum Columns-- Core-Shell Columns-- Monolithic Columns, High-Temperature Liquid Chromatography-- HILIC-- Perfluorinated Stationary Phases-- Sample Treatment-- On-line SPE-- MIPs-- RAM-- Turbulent Flow Chromatography-- Ambient Source Ionization-- DESI-- DART-- DAPPI-- Quantification Aspects in MS-- Confirmation Aspects in MS-- Food Analysis-- Environmental Analysis-- Pesticides-- Polyphenolic Compounds-- Food Packaging Contaminants-- Perfluorinated Compounds-- Mycotoxins--.
  • (source: Nielsen Book Data)
There is a growing need for high-throughput separations in food and environmental research that are able to cope with the analysis of a large number of compounds in very complex matrices. Laboratories worldwide are now demanding fast and efficient analytical procedures with enough sensitivity, robustness, effectiveness and high resolution to be able to perform both qualitative and quantitative analysis while at the same time achieving cost-effective methodologies with reduced analysis times. Whereas the most common approach for solving many analytical problems has often been high-performance liquid chromatography (HPLC), the recent use of fast or ultra-fast chromatographic methods for environmental and food analysis has increased the overall sample throughput and laboratory efficiency without loss (and even with an improvement) in the resolution obtained by conventional HPLC systems.This book brings together researchers at the top of their field from across the world to discuss and analyze recent advances in fast liquid chromatography-mass spectrometry (LC-MS) methods for food and environmental analysis. It focuses on the development of the analytical method: sample preparation, chromatographic separation, mass spectrometry and, finally, confirmation and quantification aspects. These topics are addressed in three main parts. First, the most novel approaches to achieve fast and ultra-fast methods as well as the use of alternative and complementary stationary phases are described. In the second part, advances in fast LC-MS methods are addressed, focusing on novel treatment procedures coupled with LC-MS, new ionization sources, high-resolution mass spectrometry, and the problematic confirmation and quantification aspects in mass spectrometry. Finally, the third part is devoted to relevant LC-MS applications in food and environmental analysis and addresses the analysis of pesticides, mycotoxins, food packaging contaminants, perfluorinated compounds and polyphenolic compounds.This book brings together researchers working at the top of the field at universities and in industry from across the world to present the state-of-the-art in current research on food and environmental analysis. The scope of the book is intentionally broad and is aimed at worldwide analytical laboratories working in food and environmental applications as well as researchers in universities worldwide.
(source: Nielsen Book Data)
  • Liquid Chromatography-- UHPLC-- Sample Treatment-- Mass Spectrometry-- High Resolution Mass Spectrometry-- Sub-2mum Columns-- Core-Shell Columns-- Monolithic Columns, High-Temperature Liquid Chromatography-- HILIC-- Perfluorinated Stationary Phases-- Sample Treatment-- On-line SPE-- MIPs-- RAM-- Turbulent Flow Chromatography-- Ambient Source Ionization-- DESI-- DART-- DAPPI-- Quantification Aspects in MS-- Confirmation Aspects in MS-- Food Analysis-- Environmental Analysis-- Pesticides-- Polyphenolic Compounds-- Food Packaging Contaminants-- Perfluorinated Compounds-- Mycotoxins--.
  • (source: Nielsen Book Data)
There is a growing need for high-throughput separations in food and environmental research that are able to cope with the analysis of a large number of compounds in very complex matrices. Laboratories worldwide are now demanding fast and efficient analytical procedures with enough sensitivity, robustness, effectiveness and high resolution to be able to perform both qualitative and quantitative analysis while at the same time achieving cost-effective methodologies with reduced analysis times. Whereas the most common approach for solving many analytical problems has often been high-performance liquid chromatography (HPLC), the recent use of fast or ultra-fast chromatographic methods for environmental and food analysis has increased the overall sample throughput and laboratory efficiency without loss (and even with an improvement) in the resolution obtained by conventional HPLC systems.This book brings together researchers at the top of their field from across the world to discuss and analyze recent advances in fast liquid chromatography-mass spectrometry (LC-MS) methods for food and environmental analysis. It focuses on the development of the analytical method: sample preparation, chromatographic separation, mass spectrometry and, finally, confirmation and quantification aspects. These topics are addressed in three main parts. First, the most novel approaches to achieve fast and ultra-fast methods as well as the use of alternative and complementary stationary phases are described. In the second part, advances in fast LC-MS methods are addressed, focusing on novel treatment procedures coupled with LC-MS, new ionization sources, high-resolution mass spectrometry, and the problematic confirmation and quantification aspects in mass spectrometry. Finally, the third part is devoted to relevant LC-MS applications in food and environmental analysis and addresses the analysis of pesticides, mycotoxins, food packaging contaminants, perfluorinated compounds and polyphenolic compounds.This book brings together researchers working at the top of the field at universities and in industry from across the world to present the state-of-the-art in current research on food and environmental analysis. The scope of the book is intentionally broad and is aimed at worldwide analytical laboratories working in food and environmental applications as well as researchers in universities worldwide.
(source: Nielsen Book Data)
Book
1 online resource.
  • Title page; Table of Contents; Copyright page; Dedication; Preface; Chapter 1: Introduction; Chapter 2: Sample Preparation and Ionization for Mass Spectrometry; 2.1 Separation of protein mixtures; 2.2 Multidimensional separations; 2.3 Proteolysis; 2.4 Ionization of proteins and peptides; Chapter 3: Instruments; 3.1 Mass analysis; 3.2 Some examples of instruments; Chapter 4: Mass Spectrometry of Peptides and Proteins; 4.1 Proteins; 4.2 Alternative analysis methods; 4.3 Quantitation; 4.4 Peptide fragmentation: Experiments; 4.5 Data mining scheme for identifying peptide structural motifs
  • 4.6 Peptide fragmentation: mechanism4.7 Possible pathways in the competition model; 4.8 Studying post translational modifications; 4.9 Chemical cross-linking/mass spectrometry; 4.10 Manual de novo sequencing of peptides; Chapter 5: Examples from Biological Applications; 5.1 Mapping intact protein isoforms using top-down proteomics; 5.2 Quantitative analysis of intact apolipoproteins in human HDL; 5.3 Rapid sequence analysis of some conotoxins
  • combination of de novo, bottom-up methods; 5.4 Mass spectrometry of ribosomes; 5.5 Proteins in Purkinje cell post-synaptic densities
  • 5.6 Neurexin-LRRTM2 interaction effect in synapse formation5.7 Rapid analysis of human plasma proteome
  • an IMS-IMS-MS application; 5.8 Topology of two transient virus capsid assembly intermediates; 5.9 Mass spectrometry of intact V-type ATPases reveals bound lipids and the effects of nucleotide binding; 5.10 Mass spectrometric imaging of biological material; Chapter 6: Mass Spectrometry-Based Bioinformatics; 6.1 Peptides to proteins; 6.2 MS/MS fragments to peptides to proteins; 6.3 Data-dependent acquisition; 6.4 Targeted acquisition covering SRM and PRM; 6.5 Data-independent acquisition
Introduction to Protein Mass Spectrometry provides a comprehensive overview of this increasingly important, yet complex, analytical technique. Unlike many other methods which automatically yield an absolutely unique protein name as output, protein mass spectrometry generally requires a deduction of protein identity from determination of peptide fragmentation products. This book enables readers to both understand, and appreciate, how determinations about protein identity from mass spectrometric data are made. Coverage begins with the technical basics, including preparations, instruments, and spectrometric analysis of peptides and proteins, before exploring applied use in biological applications, bioinformatics, database, and software resources. Citing the most recent and relevant work in the field of biological mass spectrometry, the book is written for researchers and scientists new to the field, but is also an ideal resource for those hoping to hone their analytical abilities. * Offers introductory information for scientists and researchers new to the field, as well as advanced insight into the critical assessment of computer-analyzed mass spectrometric results and their current limitations* Provides examples of commonly-used MS instruments from Bruker, Applied Biosystems, JEOL, Thermo Scientific/Thermo Fisher Scientific, IU, and Waters* Includes biological applications and exploration of analytical tools and databases for bioinformatics.
(source: Nielsen Book Data)
  • Title page; Table of Contents; Copyright page; Dedication; Preface; Chapter 1: Introduction; Chapter 2: Sample Preparation and Ionization for Mass Spectrometry; 2.1 Separation of protein mixtures; 2.2 Multidimensional separations; 2.3 Proteolysis; 2.4 Ionization of proteins and peptides; Chapter 3: Instruments; 3.1 Mass analysis; 3.2 Some examples of instruments; Chapter 4: Mass Spectrometry of Peptides and Proteins; 4.1 Proteins; 4.2 Alternative analysis methods; 4.3 Quantitation; 4.4 Peptide fragmentation: Experiments; 4.5 Data mining scheme for identifying peptide structural motifs
  • 4.6 Peptide fragmentation: mechanism4.7 Possible pathways in the competition model; 4.8 Studying post translational modifications; 4.9 Chemical cross-linking/mass spectrometry; 4.10 Manual de novo sequencing of peptides; Chapter 5: Examples from Biological Applications; 5.1 Mapping intact protein isoforms using top-down proteomics; 5.2 Quantitative analysis of intact apolipoproteins in human HDL; 5.3 Rapid sequence analysis of some conotoxins
  • combination of de novo, bottom-up methods; 5.4 Mass spectrometry of ribosomes; 5.5 Proteins in Purkinje cell post-synaptic densities
  • 5.6 Neurexin-LRRTM2 interaction effect in synapse formation5.7 Rapid analysis of human plasma proteome
  • an IMS-IMS-MS application; 5.8 Topology of two transient virus capsid assembly intermediates; 5.9 Mass spectrometry of intact V-type ATPases reveals bound lipids and the effects of nucleotide binding; 5.10 Mass spectrometric imaging of biological material; Chapter 6: Mass Spectrometry-Based Bioinformatics; 6.1 Peptides to proteins; 6.2 MS/MS fragments to peptides to proteins; 6.3 Data-dependent acquisition; 6.4 Targeted acquisition covering SRM and PRM; 6.5 Data-independent acquisition
Introduction to Protein Mass Spectrometry provides a comprehensive overview of this increasingly important, yet complex, analytical technique. Unlike many other methods which automatically yield an absolutely unique protein name as output, protein mass spectrometry generally requires a deduction of protein identity from determination of peptide fragmentation products. This book enables readers to both understand, and appreciate, how determinations about protein identity from mass spectrometric data are made. Coverage begins with the technical basics, including preparations, instruments, and spectrometric analysis of peptides and proteins, before exploring applied use in biological applications, bioinformatics, database, and software resources. Citing the most recent and relevant work in the field of biological mass spectrometry, the book is written for researchers and scientists new to the field, but is also an ideal resource for those hoping to hone their analytical abilities. * Offers introductory information for scientists and researchers new to the field, as well as advanced insight into the critical assessment of computer-analyzed mass spectrometric results and their current limitations* Provides examples of commonly-used MS instruments from Bruker, Applied Biosystems, JEOL, Thermo Scientific/Thermo Fisher Scientific, IU, and Waters* Includes biological applications and exploration of analytical tools and databases for bioinformatics.
(source: Nielsen Book Data)
Book
1 online resource (various pagings) : illustrations (some color).
  • Preface
  • Author biography
  • 1. Introduction
  • 1.1. Overview
  • 1.2. Basic principles
  • 2. Practical requirements
  • 2.1. Ion generation
  • 2.2. Primary and sputter ion beam sources
  • 2.3. Mass analysis
  • 2.4. Ion detection
  • 2.5. Ultra high vacuum
  • 3. Modes of analysis
  • 3.1. High-resolution mass spectra
  • 3.2. Depth profiling
  • 4. Ion beam-target interactions
  • 4.1. Ion beam induced atomic mixing
  • 4.2. Beam induced surface roughening and uneven etching
  • 4.3. Beam induced segregation
  • 4.4. Other beam induced effects
  • 4.5. Depth profiling with cluster ion beams
  • 5. Application to materials science
  • 5.1. Biomaterials and tissue studies
  • 5.2. Glass corrosion
  • 5.3. Ceramic oxides
  • 5.4. Semiconductor analysis
  • 5.5. Organic electronics
  • 6. Summary.
This book highlights the application of Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) for high-resolution surface analysis and characterization of materials. While providing a brief overview of the principles of SIMS, it also provides examples of how dual-beam ToF-SIMS is used to investigate a range of materials systems and properties. Over the years, SIMS instrumentation has dramatically changed since the earliest secondary ion mass spectrometers were first developed. Instruments were once dedicated to either the depth profiling of materials using high-ion-beam currents to analyse near surface to bulk regions of materials (dynamic SIMS), or time-of-flight instruments that produced complex mass spectra of the very outer-most surface of samples, using very low-beam currents (static SIMS). Now, with the development of dual-beam instruments these two very distinct fields now overlap.
  • Preface
  • Author biography
  • 1. Introduction
  • 1.1. Overview
  • 1.2. Basic principles
  • 2. Practical requirements
  • 2.1. Ion generation
  • 2.2. Primary and sputter ion beam sources
  • 2.3. Mass analysis
  • 2.4. Ion detection
  • 2.5. Ultra high vacuum
  • 3. Modes of analysis
  • 3.1. High-resolution mass spectra
  • 3.2. Depth profiling
  • 4. Ion beam-target interactions
  • 4.1. Ion beam induced atomic mixing
  • 4.2. Beam induced surface roughening and uneven etching
  • 4.3. Beam induced segregation
  • 4.4. Other beam induced effects
  • 4.5. Depth profiling with cluster ion beams
  • 5. Application to materials science
  • 5.1. Biomaterials and tissue studies
  • 5.2. Glass corrosion
  • 5.3. Ceramic oxides
  • 5.4. Semiconductor analysis
  • 5.5. Organic electronics
  • 6. Summary.
This book highlights the application of Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) for high-resolution surface analysis and characterization of materials. While providing a brief overview of the principles of SIMS, it also provides examples of how dual-beam ToF-SIMS is used to investigate a range of materials systems and properties. Over the years, SIMS instrumentation has dramatically changed since the earliest secondary ion mass spectrometers were first developed. Instruments were once dedicated to either the depth profiling of materials using high-ion-beam currents to analyse near surface to bulk regions of materials (dynamic SIMS), or time-of-flight instruments that produced complex mass spectra of the very outer-most surface of samples, using very low-beam currents (static SIMS). Now, with the development of dual-beam instruments these two very distinct fields now overlap.
Book
1 online resource
  • -1 Introduction -2 Fundamentals of Ion Chemistry -3 A theoretical Approach on ion-molecule complexation' -4 Experimental Methods and Instrumentation -5 Applications of Association Reactions in the Gas -6 Hybrid System with Ion Attachment Techniques -7 Cationization mass spectrometry for condensed-phase samples -8 Direct Analysis Mass Spectrometry -9 Summary and perspectives.
  • (source: Nielsen Book Data)
This book explores the mechanism of alkali-metal ion/molecule association reaction, surveys the instrumental basis to study its kinetic, and describes the instrumentation to the measurement of alkali-metal ion affinities. The applications of the ion complexation mechanism in the condensed phase in reaction to direct analysis MS are also covered. Other topics include mechanism and reaction rate, experimental and theoretical ion affinities, applications of ion attachment reactions (IAR) to mass spectrometry such as alkali ion CIMS, ion attachment MS and cationization mass spectrometry of ESI, FAB, FD, LD, MALDI and SIMS and topics of IAR-based direct analysis mass spectrometry.
(source: Nielsen Book Data)
  • -1 Introduction -2 Fundamentals of Ion Chemistry -3 A theoretical Approach on ion-molecule complexation' -4 Experimental Methods and Instrumentation -5 Applications of Association Reactions in the Gas -6 Hybrid System with Ion Attachment Techniques -7 Cationization mass spectrometry for condensed-phase samples -8 Direct Analysis Mass Spectrometry -9 Summary and perspectives.
  • (source: Nielsen Book Data)
This book explores the mechanism of alkali-metal ion/molecule association reaction, surveys the instrumental basis to study its kinetic, and describes the instrumentation to the measurement of alkali-metal ion affinities. The applications of the ion complexation mechanism in the condensed phase in reaction to direct analysis MS are also covered. Other topics include mechanism and reaction rate, experimental and theoretical ion affinities, applications of ion attachment reactions (IAR) to mass spectrometry such as alkali ion CIMS, ion attachment MS and cationization mass spectrometry of ESI, FAB, FD, LD, MALDI and SIMS and topics of IAR-based direct analysis mass spectrometry.
(source: Nielsen Book Data)
Book
1 online resource : text file, PDF
  • Preface Isotope Ratio Mass Spectrometry: Devices, Methods, and Applications V.S. Sevastyanov General Characteristics of Mass Spectrometric Methods for the Determination of Isotopic Composition of Light Elements Improvement of Equipment for the Determination Isotope Ratios of Light Elements Mass Spectrometric Methods for Determining the Isotopic Composition of Light Elements Metrological Characteristics of Mass Spectrometry of Isotope Ratios The Effect of the Strength of the Analytical Signal on the Results of Measuring the Isotopic Composition of Light Elements Study of the Completeness of Combustion of Difficult to Oxidise Compounds Developing a New Method of Sample Preparation Based on Solid Electrolytes for Isotope Mass Spectrometric Analysis The Electrochemical Decomposition of Water using a Solid Electrolyte Based on Zirconium Dioxide to Determine the Isotopic Composition of Hydrogen The Distribution of the Isotopes of Light Elements in Various Objects Finding the Source of Drugs and Explosives The Effects of Isotope Fractionation and Accompanying Organic Synthesis Isotope Effects in Carbonaceous Chondrites Determination of the Isotopic Composition of Hydrogen and Oxygen of Water and Isotope Effects during Evaporation The Distribution of Carbon Isotopes in Complex Organic Compounds of Biological Origin (Oil and Hydrocarbon Gases) Determination of the Isotopic Composition of Carbon in the Collagen of Bones of Ancient Tombs Conclusions References Universal Method for Preparation of Liquid, Solid, and Gaseous Samples for Determining the Isotopic Composition of Carbon T.A. Velivetskaya, A. Ignat'ev, and S. Kiyashko Introduction The Experimental Part Equipment and Materials Combustion of Solid and Low-Volatility Liquid Samples to Determine the Isotopic Composition of Carbon Combustion of Volatile Liquids to Determine Carbon Isotopic Composition Combustion of Methane for the Determination of the Isotopic Composition of Carbon Results and Discussion Conclusions Literature Using Isotope Ratio Mass Spectrometry for Assessing the Metabolic Potential of Soil Microbiota A.M. Zyakun and O. Dilly Introduction Methods of Analysis of Microbial Activity in Soil Microbiological Method Isotope Ratio Mass Spectrometry in the Study of Substrate-Induced Respiration (SIR) Kinetics of CO2 Production during Substrate-Induced Respiration Characteristics of Carbon Isotopic Composition of Microbial Products Amount of Metabolic Carbon Dioxide and Characterization of Its Origin in the Soil Using the 13C/12C Ratios to Characterize the Activity of the Microbiota in Arable Soils Analyzed Soil Samples Mineralization of SOM and Exogenous Glucose Priming Effect (PE) of Glucose Estimate of the Duration of the Effect of the Exogenous Substrate on the Microbiota Conclusion References Study of the Isotopic Composition of Normal Alkanes of Continental Plants N.A. Pedentchouk Introduction The Experimental Part General Provisions Methodological Features of Analysis Results and Discussion Conclusion Literature Using Isotope Ratio Mass Spectroscopy for Analysis of Tobacco A.B. Uryupin Literature Using Isotope Mass Ratio Spectrometry of Carbon in Doping Control T. Sobolevski, I.S. Prasolov, and G.M. Rodchenkov Introduction The Metabolism of Steroid Hormones The Experimental Part Equipment Reagents and Materials Sample Preparation Results and Discussion Literature Isolation Methods in Isotope Geochemistry of Noble Gases A.I. Buikin Introduction Stepwise Annealing Release of Gases by Heating with a Laser Beam The Stratified Oxidation Method Stepwise Fragmentation Conclusion Literature Using Laser Spectroscopy for Measuring the Ratios of Stable Isotopes V.S. Sevastyanov Introduction Absorption Spectroscopy Infrared Spectroscopy with Fourier Transform Non-Dispersive Absorption Spectroscopy Laser Cavity Ring-Down Spectroscopy Laser On-Axis Integrated Cavity Output Spectroscopy New Methods and Results Conclusions Literature Index.
  • (source: Nielsen Book Data)
Isotope Ratio Mass Spectrometry of Light Gas-Forming Elements explores different methods of isotope analysis, including spark, secondary ion, laser, glow discharge, and isotope ratio mass spectrometry. It explains how to evaluate the isotopic composition of light elements (H, C, N, O) in solid, liquid, and gaseous samples of organic and inorganic substances, as well as: Presents a universal, economical, simple, and rapid technique for sample preparation of organic substances to measure the isotopic composition of carbon Describes how to determine microbial mineralization of organic matter in soil and the effect of exogenous substrates on environmental sustainability Examines use of the isotopic composition of n-alkanes from continental vegetation to study the paleoclimate and plant physiology Proposes a systematic approach to identifying tobacco areas of origin and tobacco products based on data from the isotopic composition of light elements Discusses ways to detect doping drugs and suggests results assessment criteria based on determining reference intervals for endogenous markers Reviews methods of release of gases from inclusions of rocks and minerals for further implementation of isotope mass spectrometric analysis Considers use of optical isotope analyzers for determining the isotopic composition of carbon in CO2 and of hydrogen and oxygen in water Providing a complete picture of the latest advancements in the field, Isotope Ratio Mass Spectrometry of Light Gas-Forming Elements aids readers from a variety of disciplines in identifying the fundamental processes in biological, ecological, and geological systems and in revealing the subtle features of many physicochemical processes and chemical transformations.
(source: Nielsen Book Data)
  • Preface Isotope Ratio Mass Spectrometry: Devices, Methods, and Applications V.S. Sevastyanov General Characteristics of Mass Spectrometric Methods for the Determination of Isotopic Composition of Light Elements Improvement of Equipment for the Determination Isotope Ratios of Light Elements Mass Spectrometric Methods for Determining the Isotopic Composition of Light Elements Metrological Characteristics of Mass Spectrometry of Isotope Ratios The Effect of the Strength of the Analytical Signal on the Results of Measuring the Isotopic Composition of Light Elements Study of the Completeness of Combustion of Difficult to Oxidise Compounds Developing a New Method of Sample Preparation Based on Solid Electrolytes for Isotope Mass Spectrometric Analysis The Electrochemical Decomposition of Water using a Solid Electrolyte Based on Zirconium Dioxide to Determine the Isotopic Composition of Hydrogen The Distribution of the Isotopes of Light Elements in Various Objects Finding the Source of Drugs and Explosives The Effects of Isotope Fractionation and Accompanying Organic Synthesis Isotope Effects in Carbonaceous Chondrites Determination of the Isotopic Composition of Hydrogen and Oxygen of Water and Isotope Effects during Evaporation The Distribution of Carbon Isotopes in Complex Organic Compounds of Biological Origin (Oil and Hydrocarbon Gases) Determination of the Isotopic Composition of Carbon in the Collagen of Bones of Ancient Tombs Conclusions References Universal Method for Preparation of Liquid, Solid, and Gaseous Samples for Determining the Isotopic Composition of Carbon T.A. Velivetskaya, A. Ignat'ev, and S. Kiyashko Introduction The Experimental Part Equipment and Materials Combustion of Solid and Low-Volatility Liquid Samples to Determine the Isotopic Composition of Carbon Combustion of Volatile Liquids to Determine Carbon Isotopic Composition Combustion of Methane for the Determination of the Isotopic Composition of Carbon Results and Discussion Conclusions Literature Using Isotope Ratio Mass Spectrometry for Assessing the Metabolic Potential of Soil Microbiota A.M. Zyakun and O. Dilly Introduction Methods of Analysis of Microbial Activity in Soil Microbiological Method Isotope Ratio Mass Spectrometry in the Study of Substrate-Induced Respiration (SIR) Kinetics of CO2 Production during Substrate-Induced Respiration Characteristics of Carbon Isotopic Composition of Microbial Products Amount of Metabolic Carbon Dioxide and Characterization of Its Origin in the Soil Using the 13C/12C Ratios to Characterize the Activity of the Microbiota in Arable Soils Analyzed Soil Samples Mineralization of SOM and Exogenous Glucose Priming Effect (PE) of Glucose Estimate of the Duration of the Effect of the Exogenous Substrate on the Microbiota Conclusion References Study of the Isotopic Composition of Normal Alkanes of Continental Plants N.A. Pedentchouk Introduction The Experimental Part General Provisions Methodological Features of Analysis Results and Discussion Conclusion Literature Using Isotope Ratio Mass Spectroscopy for Analysis of Tobacco A.B. Uryupin Literature Using Isotope Mass Ratio Spectrometry of Carbon in Doping Control T. Sobolevski, I.S. Prasolov, and G.M. Rodchenkov Introduction The Metabolism of Steroid Hormones The Experimental Part Equipment Reagents and Materials Sample Preparation Results and Discussion Literature Isolation Methods in Isotope Geochemistry of Noble Gases A.I. Buikin Introduction Stepwise Annealing Release of Gases by Heating with a Laser Beam The Stratified Oxidation Method Stepwise Fragmentation Conclusion Literature Using Laser Spectroscopy for Measuring the Ratios of Stable Isotopes V.S. Sevastyanov Introduction Absorption Spectroscopy Infrared Spectroscopy with Fourier Transform Non-Dispersive Absorption Spectroscopy Laser Cavity Ring-Down Spectroscopy Laser On-Axis Integrated Cavity Output Spectroscopy New Methods and Results Conclusions Literature Index.
  • (source: Nielsen Book Data)
Isotope Ratio Mass Spectrometry of Light Gas-Forming Elements explores different methods of isotope analysis, including spark, secondary ion, laser, glow discharge, and isotope ratio mass spectrometry. It explains how to evaluate the isotopic composition of light elements (H, C, N, O) in solid, liquid, and gaseous samples of organic and inorganic substances, as well as: Presents a universal, economical, simple, and rapid technique for sample preparation of organic substances to measure the isotopic composition of carbon Describes how to determine microbial mineralization of organic matter in soil and the effect of exogenous substrates on environmental sustainability Examines use of the isotopic composition of n-alkanes from continental vegetation to study the paleoclimate and plant physiology Proposes a systematic approach to identifying tobacco areas of origin and tobacco products based on data from the isotopic composition of light elements Discusses ways to detect doping drugs and suggests results assessment criteria based on determining reference intervals for endogenous markers Reviews methods of release of gases from inclusions of rocks and minerals for further implementation of isotope mass spectrometric analysis Considers use of optical isotope analyzers for determining the isotopic composition of carbon in CO2 and of hydrogen and oxygen in water Providing a complete picture of the latest advancements in the field, Isotope Ratio Mass Spectrometry of Light Gas-Forming Elements aids readers from a variety of disciplines in identifying the fundamental processes in biological, ecological, and geological systems and in revealing the subtle features of many physicochemical processes and chemical transformations.
(source: Nielsen Book Data)
Book
1 online resource (viii, 71 pages) : illustrations.
  • General and most usual proteomics methods based on mass spectrometry analysis: Protein identification and protein quantification.- Direct analysis of tissues and body fluids.- Mass spectrometry in archaeology.- Determination and quantification of post-translational modifications.- Protein-Protein interaction determined by mass spectrometry.- Protein structure analysis.- Determination of protein function by mass spectrometry.- Computer-assisted data analysis and data mining for new applications.
  • (source: Nielsen Book Data)
The understanding of the events taking place in a cell, a biological fluid or in any biological system is the main goal of biology research. Many fields of research use different technology to assess those events. Mass spectrometry is one of those techniques and this undergoes constant evolution and adaptation to always enhance the accuracy of the information provided. Proteomics provides a large panel of data on protein identity and protein expression that were made possible by mass spectrometry. For several years now mass spectrometry has become central to performing proteomic research, however this powerful tool is under constant evolution to be more sensitive and more resolute. More importantly mass spectrometry became a field of research focusing on new applications. Indeed, the complexity in biological systems relies on the changes of expression of transcription of proteins but also on the post-translational modification of proteins, the structure of proteins and the interaction between proteins, amongst others. As of now, several investigations tried to improve the quantification of proteins by mass spectrometry, the determination of post-translational modifications, the protein-protein and protein-nucleic acids interaction or the proteins structures. This book is structured as follows: after a brief introduction of the usual and most popular applications for mass spectrometry in proteomics, the most recent research and developments in mass spectrometry-based methodologies will be explored.
(source: Nielsen Book Data)
  • General and most usual proteomics methods based on mass spectrometry analysis: Protein identification and protein quantification.- Direct analysis of tissues and body fluids.- Mass spectrometry in archaeology.- Determination and quantification of post-translational modifications.- Protein-Protein interaction determined by mass spectrometry.- Protein structure analysis.- Determination of protein function by mass spectrometry.- Computer-assisted data analysis and data mining for new applications.
  • (source: Nielsen Book Data)
The understanding of the events taking place in a cell, a biological fluid or in any biological system is the main goal of biology research. Many fields of research use different technology to assess those events. Mass spectrometry is one of those techniques and this undergoes constant evolution and adaptation to always enhance the accuracy of the information provided. Proteomics provides a large panel of data on protein identity and protein expression that were made possible by mass spectrometry. For several years now mass spectrometry has become central to performing proteomic research, however this powerful tool is under constant evolution to be more sensitive and more resolute. More importantly mass spectrometry became a field of research focusing on new applications. Indeed, the complexity in biological systems relies on the changes of expression of transcription of proteins but also on the post-translational modification of proteins, the structure of proteins and the interaction between proteins, amongst others. As of now, several investigations tried to improve the quantification of proteins by mass spectrometry, the determination of post-translational modifications, the protein-protein and protein-nucleic acids interaction or the proteins structures. This book is structured as follows: after a brief introduction of the usual and most popular applications for mass spectrometry in proteomics, the most recent research and developments in mass spectrometry-based methodologies will be explored.
(source: Nielsen Book Data)
Book
1 online resource.
  • List of contributors xi Foreword xiii Preface xv 1 Pesticide Chemistry and Risk Assessment 1 Despina Tsipi, Helen Botitsi, and Anastasios Economou 1.1 Introduction1 1.2 Pesticide Chemistry2 1.2.1 Historical Perspective2 1.2.2 Identity and Physicochemical Properties of Pesticides2 1.2.3 Pesticide Classification4 1.2.4 Modes of Action (MoA)5 1.3 Pesticide Metabolites and Transformation Products8 1.3.1 Biotransformation9 1.3.2 Environmental Fate13 1.4 Risk Assessment 14 1.4.1 Safety Factors 14 1.4.2 Ecological Risk Assessment for Pesticides 15 1.5 Dietary Exposure to Pesticides 17 1.5.1 Acute Exposure or Short Term Intake 18 1.5.2 Chronic Exposure or Long Term Intake 18 1.5.3 Cumulative Exposure to Multiple Substances 18 1.6 Pesticide Residues in Food 19 1.6.1 Maximum Residue Limits 19 1.6.2 Residue Definition 20 1.6.3 Reporting of Results 28 1.6.4 Residue Analysis 28 References 29 2 Legislation, Monitoring, and Analytical Quality Control for Pesticide Residues 35 Despina Tsipi, Helen Botitsi, and Anastasios Economou 2.1 Introduction 35 2.2 Food Safety 36 2.2.1 CAC of Food and Agriculture Organization/World Health Organization 36 2.2.2 EU Legislation 36 2.2.3 US Food Regulations 40 2.3 Water Quality 44 2.3.1 WHO 44 2.3.2 EU Water Framework Directive 44 2.3.3 US EPA Legislation 46 2.4 Method Validation and Quality Control Procedures for Pesticide Residues Analysis 46 2.4.1 CAC Guidelines 46 2.4.2 EU Guidelines: SANCO Document 47 2.4.3 FDA and EPA Guidelines 48 References 50 3 Advanced Sample Preparation Techniques for MS Analysis 53 Yolanda Pico 3.1 Introduction 53 3.2 Conventional Extraction and Cleanup Procedures 54 3.2.1 LLE 54 3.2.2 SPE 61 3.2.3 MSPD 63 3.2.4 QuEChERS 63 3.3 Microextraction Techniques 65 3.3.1 Sorbent Based Microextraction Techniques 65 3.3.2 Liquid Based Microextraction Techniques 71 3.4 Alternative Extraction and Cleanup Procedures 73 3.4.1 Alternative Energy Sources to Enhance the Extraction 73 3.4.2 Coupled Column Liquid Chromatography (LC/PC, LC/LC Techniques) 79 3.4.3 Direct Analysis in Real Time 80 3.5 Conclusions 81 References 82 4 Recent Developments in Gas Chromatography Mass Spectrometry 91 Kaushik Banerjee and Sagar Utture 4.1 Introduction 91 4.2 Advances in GC Separations 91 4.2.1 Multidimensional and Comprehensive Two Dimensional Gas Chromatography 92 4.2.2 Fast GC 94 4.2.3 LPGC 95 4.3 Mass Spectrometric Ionization Techniques 96 4.3.1 Electron Impact Ionization (EI) 97 4.3.2 CI (Positive/Negative Modes) 97 4.3.3 Atmospheric Pressure GC MS 98 4.4 Mass Analyzers Interfaced to GC 99 4.4.1 Quadrupole Mass Analyzer 100 4.4.2 Ion Trap Mass Analyzer 100 4.4.3 QqQ 100 4.4.4 TOF 102 4.5 Mass Spectral Libraries and Software Approaches in GC MS Analysis 103 4.6 Matrix Effects in GC MS Analysis 106 4.7 Conclusions and Perspectives 108 References 108 5 Recent Developments in Liquid Chromatography Mass Spectrometry: Advances in Liquid Chromatographic Separations and Ionization Techniques/Interfaces 113 Alexandros G. Asimakopoulos, Anna Bletsou, Kurunthachalam Kannan, and Nikolaos S. Thomaidis 5.1 Introduction 113 5.2 Advances in Liquid Chromatographic Separations 114 5.2.1 Ultraperformance Liquid Chromatography 116 5.2.2 Hydrophilic Interaction Liquid Chromatography 117 5.3 Ionization Techniques/Interfaces 117 5.3.1 Atmospheric Pressure Ionization Techniques 118 5.3.2 Direct Electron Ionization 121 5.4 Ambient Ionization Techniques 122 5.4.1 DESI, Paper Spray, and Low Temperature Plasma Ambient Ionization 122 5.4.2 Direct Analysis in Real Time 124 5.4.3 Atmospheric Pressure Glow Discharge Ionization 125 5.5 Summary 125 References 125 6 Recent Developments in Liquid Chromatography Mass Spectrometry: Mass Detectors 131 Silvia Lacorte, Ana Aguera, Montserrat Cortina Puig, and Cristian Gomez Canela 6.1 Introduction: Mass Spectrometers 131 6.1.1 Triple Quadrupole Mass Analyzer 132 6.1.2 Quadrupole Ion Trap and Triple Quadrupole Linear Ion Trap 135 6.1.3 TOF Mass Analyzer 138 6.1.4 Hybrid TOF 140 6.1.5 Orbitrap Mass Analyzer 142 6.2 Comparison and Complementarities of Different Mass Analyzers in the LC-MS Analysis of Pesticide Residues and their Metabolites 147 6.2.1 Dynamic Range 147 6.2.2 Scan Rate 147 6.2.3 LODs 148 6.2.4 Mass Accuracy 148 6.2.5 Resolution 149 6.2.6 Selectivity 149 6.2.7 Mass Range 150 6.2.8 Fragmentation 150 6.2.9 Identification Capabilities 150 6.2.10 Quantification 151 6.3 Use of Software Techniques and Spectral Libraries in LC MS 152 References 154 7 Matrix Effects in Liquid Chromatography Electrospray Ionization Mass Spectrometry 161 Helen Stahnke and Lutz Alder 7.1 Introduction 161 7.1.1 Some Definitions 161 7.1.2 Differences between Matrix Effects in GC and LC Methods 162 7.1.3 Differences between ESI and Other API Methods 162 7.1.4 A Typical Alarming Situation 163 7.2 Detection of Matrix Effects 164 7.2.1 Calibration in Solvent versus Matrix Matched Calibration 164 7.2.2 Postcolumn Infusion 165 7.2.3 Stable Isotope-Labeled Standards 166 7.3 Reduction of Matrix Effects 166 7.3.1 Change of LC Conditions 166 7.3.2 Change of MS Conditions 166 7.3.3 Better Cleanup 169 7.3.4 Backflush of LC Columns 170 7.3.5 Dilute-and-Shoot 171 7.4 Compensation of Matrix Effects 172 7.4.1 Internal standards (IS) 172 7.4.2 Matrix Matched Standards 174 7.4.3 Postcolumn Infusion 174 7.4.4 Standard Addition 175 7.5 An Attempt to Explain Matrix Effects 176 7.5.1 Substance Classes Causing Matrix Effects 176 7.5.2 Tentative Mechanisms of Matrix Effects 176 7.5.3 A Recent View on the Mechanism of Ion Suppression 178 References 180 8 Liquid Chromatography Mass Spectrometry Analysis of Pesticide Residues and Their Metabolites in Food Samples 187 Ana Lozano, ukasz Rajski, Maria del Mar Gomez Ramos, Carmen Ferrer, Maria D. Hernando, and Amadeo R. Fernandez Alba 8.1 Introduction 187 8.2 Application of LC QqQ MS/MS for the Targeted Analysis of Pesticide Residues and their Metabolites in Food Samples 189 8.2.1 Sensitivity 192 8.2.2 Linearity 193 8.2.3 Matrix Effects 193 8.3 Application of LC Hrms to the Analysis of Pesticide Residues and their Metabolites in Food Samples 195 8.3.1 Detection and Identification 195 8.3.2 Resolution 197 8.3.3 MS/MS Identification 200 8.3.4 Sensitivity 201 8.3.5 Linearity 201 8.3.6 Matrix Effect 202 8.4 Data Processing: Automated Database Searches 202 8.5 Conclusions and Future Developments 203 References 203 9 Application of LC MS/MS and LC TOF MS for the Identification of Pesticide Residues and Their Metabolites in Environmental Samples 207 Imma Ferrer and E. Michael Thurman 9.1 Introduction and Occurrence of Pesticides in Environmental Samples 207 9.2 State of the Art Techniques for the Identification of Pesticides and their Degradation Products 208 9.2.1 LC MS/MS for the Analysis of Target Compounds 208 9.2.2 LC TOF MS and LC QTOF MS for the Analysis of Target and Nontarget Compounds 209 9.3 Use of Accurate Mass Tools for the Identification of Pesticide Residues and their Metabolites in Food and Water Samples 215 9.3.1 Molecular Features 215 9.3.2 Accurate Mass Filters and Isotopic Mass Defect 220 9.3.3 Diagnostic Ion Approach 221 9.3.4 Accurate Mass Databases 223 9.3.5 Accurate Mass Profiling 225 9.4 Conclusions 227 References 227 10 Mass Spectrometric Techniques for the Determination of Pesticide Transformation Products Formed by Advanced Oxidation Processes 231 Ioannis K. Konstantinou 10.1 Introduction 231 10.2 Sample Preparation 232 10.3 Hyphenated MS Techniques 237 10.3.1 Low Resolution Mass Spectrometry: Single Stage Quadrupole 238 10.3.2 Identification of Pesticide TPs by GC MS 238 10.3.3 Identification of Pesticide TPs by LC MS 240 10.3.4 Identification of Pesticide TPs by the Combination of GC MS and LC MS 241 10.4 Tandem MS 241 10.4.1 Identification of Pesticide TPs by QqQ MS 243 10.4.2 Identification of Pesticide TPs by IT MS 244 10.5 HRMS 249 10.5.1 Single Mass Analyzer 249 10.5.2 Hybrid HR Mass Spectrometers 255 10.6 Conclusions and Perspectives 256 References 259 Index 263.
  • (source: Nielsen Book Data)
Provides an overview of the use of mass spectrometry (MS) for the analysis of pesticide residues and their metabolites. * Presents state of the-art MS techniques for the identification of pesticides and their transformation products in food and environment * Covers important advances in MS techniques including MS instrumentation and chromatographic separations (e.g. UPLC, HILIC, comprehensive GCxGC) and applications * Illustrates the main sample preparation techniques (SPE, QuEChERS, microextraction) used in combination with MS for the analysis of pesticides * Describes various established and new ionization techniques as well as the main MS platforms, software tools and mass spectral libraries.
(source: Nielsen Book Data)
  • List of contributors xi Foreword xiii Preface xv 1 Pesticide Chemistry and Risk Assessment 1 Despina Tsipi, Helen Botitsi, and Anastasios Economou 1.1 Introduction1 1.2 Pesticide Chemistry2 1.2.1 Historical Perspective2 1.2.2 Identity and Physicochemical Properties of Pesticides2 1.2.3 Pesticide Classification4 1.2.4 Modes of Action (MoA)5 1.3 Pesticide Metabolites and Transformation Products8 1.3.1 Biotransformation9 1.3.2 Environmental Fate13 1.4 Risk Assessment 14 1.4.1 Safety Factors 14 1.4.2 Ecological Risk Assessment for Pesticides 15 1.5 Dietary Exposure to Pesticides 17 1.5.1 Acute Exposure or Short Term Intake 18 1.5.2 Chronic Exposure or Long Term Intake 18 1.5.3 Cumulative Exposure to Multiple Substances 18 1.6 Pesticide Residues in Food 19 1.6.1 Maximum Residue Limits 19 1.6.2 Residue Definition 20 1.6.3 Reporting of Results 28 1.6.4 Residue Analysis 28 References 29 2 Legislation, Monitoring, and Analytical Quality Control for Pesticide Residues 35 Despina Tsipi, Helen Botitsi, and Anastasios Economou 2.1 Introduction 35 2.2 Food Safety 36 2.2.1 CAC of Food and Agriculture Organization/World Health Organization 36 2.2.2 EU Legislation 36 2.2.3 US Food Regulations 40 2.3 Water Quality 44 2.3.1 WHO 44 2.3.2 EU Water Framework Directive 44 2.3.3 US EPA Legislation 46 2.4 Method Validation and Quality Control Procedures for Pesticide Residues Analysis 46 2.4.1 CAC Guidelines 46 2.4.2 EU Guidelines: SANCO Document 47 2.4.3 FDA and EPA Guidelines 48 References 50 3 Advanced Sample Preparation Techniques for MS Analysis 53 Yolanda Pico 3.1 Introduction 53 3.2 Conventional Extraction and Cleanup Procedures 54 3.2.1 LLE 54 3.2.2 SPE 61 3.2.3 MSPD 63 3.2.4 QuEChERS 63 3.3 Microextraction Techniques 65 3.3.1 Sorbent Based Microextraction Techniques 65 3.3.2 Liquid Based Microextraction Techniques 71 3.4 Alternative Extraction and Cleanup Procedures 73 3.4.1 Alternative Energy Sources to Enhance the Extraction 73 3.4.2 Coupled Column Liquid Chromatography (LC/PC, LC/LC Techniques) 79 3.4.3 Direct Analysis in Real Time 80 3.5 Conclusions 81 References 82 4 Recent Developments in Gas Chromatography Mass Spectrometry 91 Kaushik Banerjee and Sagar Utture 4.1 Introduction 91 4.2 Advances in GC Separations 91 4.2.1 Multidimensional and Comprehensive Two Dimensional Gas Chromatography 92 4.2.2 Fast GC 94 4.2.3 LPGC 95 4.3 Mass Spectrometric Ionization Techniques 96 4.3.1 Electron Impact Ionization (EI) 97 4.3.2 CI (Positive/Negative Modes) 97 4.3.3 Atmospheric Pressure GC MS 98 4.4 Mass Analyzers Interfaced to GC 99 4.4.1 Quadrupole Mass Analyzer 100 4.4.2 Ion Trap Mass Analyzer 100 4.4.3 QqQ 100 4.4.4 TOF 102 4.5 Mass Spectral Libraries and Software Approaches in GC MS Analysis 103 4.6 Matrix Effects in GC MS Analysis 106 4.7 Conclusions and Perspectives 108 References 108 5 Recent Developments in Liquid Chromatography Mass Spectrometry: Advances in Liquid Chromatographic Separations and Ionization Techniques/Interfaces 113 Alexandros G. Asimakopoulos, Anna Bletsou, Kurunthachalam Kannan, and Nikolaos S. Thomaidis 5.1 Introduction 113 5.2 Advances in Liquid Chromatographic Separations 114 5.2.1 Ultraperformance Liquid Chromatography 116 5.2.2 Hydrophilic Interaction Liquid Chromatography 117 5.3 Ionization Techniques/Interfaces 117 5.3.1 Atmospheric Pressure Ionization Techniques 118 5.3.2 Direct Electron Ionization 121 5.4 Ambient Ionization Techniques 122 5.4.1 DESI, Paper Spray, and Low Temperature Plasma Ambient Ionization 122 5.4.2 Direct Analysis in Real Time 124 5.4.3 Atmospheric Pressure Glow Discharge Ionization 125 5.5 Summary 125 References 125 6 Recent Developments in Liquid Chromatography Mass Spectrometry: Mass Detectors 131 Silvia Lacorte, Ana Aguera, Montserrat Cortina Puig, and Cristian Gomez Canela 6.1 Introduction: Mass Spectrometers 131 6.1.1 Triple Quadrupole Mass Analyzer 132 6.1.2 Quadrupole Ion Trap and Triple Quadrupole Linear Ion Trap 135 6.1.3 TOF Mass Analyzer 138 6.1.4 Hybrid TOF 140 6.1.5 Orbitrap Mass Analyzer 142 6.2 Comparison and Complementarities of Different Mass Analyzers in the LC-MS Analysis of Pesticide Residues and their Metabolites 147 6.2.1 Dynamic Range 147 6.2.2 Scan Rate 147 6.2.3 LODs 148 6.2.4 Mass Accuracy 148 6.2.5 Resolution 149 6.2.6 Selectivity 149 6.2.7 Mass Range 150 6.2.8 Fragmentation 150 6.2.9 Identification Capabilities 150 6.2.10 Quantification 151 6.3 Use of Software Techniques and Spectral Libraries in LC MS 152 References 154 7 Matrix Effects in Liquid Chromatography Electrospray Ionization Mass Spectrometry 161 Helen Stahnke and Lutz Alder 7.1 Introduction 161 7.1.1 Some Definitions 161 7.1.2 Differences between Matrix Effects in GC and LC Methods 162 7.1.3 Differences between ESI and Other API Methods 162 7.1.4 A Typical Alarming Situation 163 7.2 Detection of Matrix Effects 164 7.2.1 Calibration in Solvent versus Matrix Matched Calibration 164 7.2.2 Postcolumn Infusion 165 7.2.3 Stable Isotope-Labeled Standards 166 7.3 Reduction of Matrix Effects 166 7.3.1 Change of LC Conditions 166 7.3.2 Change of MS Conditions 166 7.3.3 Better Cleanup 169 7.3.4 Backflush of LC Columns 170 7.3.5 Dilute-and-Shoot 171 7.4 Compensation of Matrix Effects 172 7.4.1 Internal standards (IS) 172 7.4.2 Matrix Matched Standards 174 7.4.3 Postcolumn Infusion 174 7.4.4 Standard Addition 175 7.5 An Attempt to Explain Matrix Effects 176 7.5.1 Substance Classes Causing Matrix Effects 176 7.5.2 Tentative Mechanisms of Matrix Effects 176 7.5.3 A Recent View on the Mechanism of Ion Suppression 178 References 180 8 Liquid Chromatography Mass Spectrometry Analysis of Pesticide Residues and Their Metabolites in Food Samples 187 Ana Lozano, ukasz Rajski, Maria del Mar Gomez Ramos, Carmen Ferrer, Maria D. Hernando, and Amadeo R. Fernandez Alba 8.1 Introduction 187 8.2 Application of LC QqQ MS/MS for the Targeted Analysis of Pesticide Residues and their Metabolites in Food Samples 189 8.2.1 Sensitivity 192 8.2.2 Linearity 193 8.2.3 Matrix Effects 193 8.3 Application of LC Hrms to the Analysis of Pesticide Residues and their Metabolites in Food Samples 195 8.3.1 Detection and Identification 195 8.3.2 Resolution 197 8.3.3 MS/MS Identification 200 8.3.4 Sensitivity 201 8.3.5 Linearity 201 8.3.6 Matrix Effect 202 8.4 Data Processing: Automated Database Searches 202 8.5 Conclusions and Future Developments 203 References 203 9 Application of LC MS/MS and LC TOF MS for the Identification of Pesticide Residues and Their Metabolites in Environmental Samples 207 Imma Ferrer and E. Michael Thurman 9.1 Introduction and Occurrence of Pesticides in Environmental Samples 207 9.2 State of the Art Techniques for the Identification of Pesticides and their Degradation Products 208 9.2.1 LC MS/MS for the Analysis of Target Compounds 208 9.2.2 LC TOF MS and LC QTOF MS for the Analysis of Target and Nontarget Compounds 209 9.3 Use of Accurate Mass Tools for the Identification of Pesticide Residues and their Metabolites in Food and Water Samples 215 9.3.1 Molecular Features 215 9.3.2 Accurate Mass Filters and Isotopic Mass Defect 220 9.3.3 Diagnostic Ion Approach 221 9.3.4 Accurate Mass Databases 223 9.3.5 Accurate Mass Profiling 225 9.4 Conclusions 227 References 227 10 Mass Spectrometric Techniques for the Determination of Pesticide Transformation Products Formed by Advanced Oxidation Processes 231 Ioannis K. Konstantinou 10.1 Introduction 231 10.2 Sample Preparation 232 10.3 Hyphenated MS Techniques 237 10.3.1 Low Resolution Mass Spectrometry: Single Stage Quadrupole 238 10.3.2 Identification of Pesticide TPs by GC MS 238 10.3.3 Identification of Pesticide TPs by LC MS 240 10.3.4 Identification of Pesticide TPs by the Combination of GC MS and LC MS 241 10.4 Tandem MS 241 10.4.1 Identification of Pesticide TPs by QqQ MS 243 10.4.2 Identification of Pesticide TPs by IT MS 244 10.5 HRMS 249 10.5.1 Single Mass Analyzer 249 10.5.2 Hybrid HR Mass Spectrometers 255 10.6 Conclusions and Perspectives 256 References 259 Index 263.
  • (source: Nielsen Book Data)
Provides an overview of the use of mass spectrometry (MS) for the analysis of pesticide residues and their metabolites. * Presents state of the-art MS techniques for the identification of pesticides and their transformation products in food and environment * Covers important advances in MS techniques including MS instrumentation and chromatographic separations (e.g. UPLC, HILIC, comprehensive GCxGC) and applications * Illustrates the main sample preparation techniques (SPE, QuEChERS, microextraction) used in combination with MS for the analysis of pesticides * Describes various established and new ionization techniques as well as the main MS platforms, software tools and mass spectral libraries.
(source: Nielsen Book Data)
Book
xi, 213 pages : illustrations (some color) ; 27 cm.
  • Current status and future prospects of mass spectrometry imaging of small molecules / Victoria L. Brown and Lin He
  • Sample preparation for 3D SIMS chemical imaging of cells / Nicholas Winograd and Anna Bloom
  • TOF-SIMS imaging of lipids on rat brain sections / David Touboul and Alain Brunelle
  • MALDI-MS-assisted molecular imaging of metabolites in legume plants / Erin Gemperline and Lingjun Li
  • MALDI mass spectrometry imaging of lipids and primary metabolites on rat brain sections / David Touboul and Alain Brunelle
  • Multiplex MALDI-MS imaging of plant metabolites using a hybrid MS system / Andrew R. Korte [and 3 others]
  • DESI imaging of small molecules in biological tissues / Elaine C. Cabral and Demian R. Ifa
  • Desorption electrospray ionization imaging of small organics on mineral surfaces / Rachel V. Bennett and Facundo M. Fernández-- Imaging of plant materials using indirect desoprtion electrospray ionization mass spectrometry / Christian Janfelt
  • Imaging of lipids and metabolites using nanospray desorption electropray ionization mass spectrometry / Ingela Lanekoff and Julia Laskin
  • Electrospray laser desorption ionization (ELDI) mass spectrometry for molecular imaging of small molecules on tissues / Min-Zong Huang, Siou-Sian Jhang, and Jentaie Shiea
  • Automated cell-by-cell tissue imaging and single-cell analysis for targeted morphologies by laser ablation electrospray ionization mass spectrometry / Hang Li [and 4 others]
  • Laser ablation sample transfer for mass spectrometry imaging / Sung-Gun Park and Kermit K. Murray
  • Nanostructure imaging mass spectrometry : the role of fluorocarbons in metabolite analysis and yoctomole level sensitivity / Michael E. Kurczy [and 3 others]
  • Nanostructure-initiator mass spectrometry (NIMS) for molecular mapping of animal tissues / Tara N. Moening, Victoria L. Brown, and Lin He
  • Nanoparticle-assisted laser desorption/ionization for metabolite imaging / Michihiko Waki [and 4 others]
  • Matrix-enhanced surface-assisted laser desorption/ionization mass spectrometry (ME-SALDI-MS) for mass spectrometry imaging of small molecules / Victoria L. Brown, Qiang Liu, and Lin He
  • Laser desorption postionization mass spectrometry imaging of biological targets / Artem Akhmetov, Chhavi Bhardwaj, and Luke Hanley
  • Data processing and analysis for mass spectrometry imaging / Jiangjiang Liu, Xingchuang Xiong, and Zheng Ouyang.
Mass Spectroscopy Imaging (MSI) has emerged as an enabling technique to provide insight into the molecular entities within cells, tissues and whole-body samples and to understand inherent complexities within biological metabolomes. In Mass Spectrometry Imaging of Small Molecules: Methods and Protocols, experts in the MSI field present techniques for 2D and 3D visualization and quantification of a wide array of small molecular species present in biologically relevant samples. Chapters provide detailed operational instructions from sample preparation to method selection, from comparative quantification to structural identification and from data collection to visualization of small molecule mapping in complex samples. Written in the successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Mass Spectrometry Imaging of Small Molecules: Methods and Protocols aims to bring the rapidly maturing methods of metabolic imaging to life science researchers and to minimize technical intimidation in adapting new technological platforms in biological research.
(source: Nielsen Book Data)
  • Current status and future prospects of mass spectrometry imaging of small molecules / Victoria L. Brown and Lin He
  • Sample preparation for 3D SIMS chemical imaging of cells / Nicholas Winograd and Anna Bloom
  • TOF-SIMS imaging of lipids on rat brain sections / David Touboul and Alain Brunelle
  • MALDI-MS-assisted molecular imaging of metabolites in legume plants / Erin Gemperline and Lingjun Li
  • MALDI mass spectrometry imaging of lipids and primary metabolites on rat brain sections / David Touboul and Alain Brunelle
  • Multiplex MALDI-MS imaging of plant metabolites using a hybrid MS system / Andrew R. Korte [and 3 others]
  • DESI imaging of small molecules in biological tissues / Elaine C. Cabral and Demian R. Ifa
  • Desorption electrospray ionization imaging of small organics on mineral surfaces / Rachel V. Bennett and Facundo M. Fernández-- Imaging of plant materials using indirect desoprtion electrospray ionization mass spectrometry / Christian Janfelt
  • Imaging of lipids and metabolites using nanospray desorption electropray ionization mass spectrometry / Ingela Lanekoff and Julia Laskin
  • Electrospray laser desorption ionization (ELDI) mass spectrometry for molecular imaging of small molecules on tissues / Min-Zong Huang, Siou-Sian Jhang, and Jentaie Shiea
  • Automated cell-by-cell tissue imaging and single-cell analysis for targeted morphologies by laser ablation electrospray ionization mass spectrometry / Hang Li [and 4 others]
  • Laser ablation sample transfer for mass spectrometry imaging / Sung-Gun Park and Kermit K. Murray
  • Nanostructure imaging mass spectrometry : the role of fluorocarbons in metabolite analysis and yoctomole level sensitivity / Michael E. Kurczy [and 3 others]
  • Nanostructure-initiator mass spectrometry (NIMS) for molecular mapping of animal tissues / Tara N. Moening, Victoria L. Brown, and Lin He
  • Nanoparticle-assisted laser desorption/ionization for metabolite imaging / Michihiko Waki [and 4 others]
  • Matrix-enhanced surface-assisted laser desorption/ionization mass spectrometry (ME-SALDI-MS) for mass spectrometry imaging of small molecules / Victoria L. Brown, Qiang Liu, and Lin He
  • Laser desorption postionization mass spectrometry imaging of biological targets / Artem Akhmetov, Chhavi Bhardwaj, and Luke Hanley
  • Data processing and analysis for mass spectrometry imaging / Jiangjiang Liu, Xingchuang Xiong, and Zheng Ouyang.
Mass Spectroscopy Imaging (MSI) has emerged as an enabling technique to provide insight into the molecular entities within cells, tissues and whole-body samples and to understand inherent complexities within biological metabolomes. In Mass Spectrometry Imaging of Small Molecules: Methods and Protocols, experts in the MSI field present techniques for 2D and 3D visualization and quantification of a wide array of small molecular species present in biologically relevant samples. Chapters provide detailed operational instructions from sample preparation to method selection, from comparative quantification to structural identification and from data collection to visualization of small molecule mapping in complex samples. Written in the successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Mass Spectrometry Imaging of Small Molecules: Methods and Protocols aims to bring the rapidly maturing methods of metabolic imaging to life science researchers and to minimize technical intimidation in adapting new technological platforms in biological research.
(source: Nielsen Book Data)
Biology Library (Falconer)
Status of items at Biology Library (Falconer)
Biology Library (Falconer) Status
Stacks
QH506 .M45 V.1203 Unknown
Book
xiv, 280 pages : illustrations (some color) ; 24 cm
  • Metabolomics in a Nutshell-- Sastia Prama Putri and Eiichiro Fukusaki Design of Metabolomics Experiment-- Sastia Prama Putri, Fumio Matsuda, and Takeshi Bamba Sample Preparation-- Yoshihiro Izumi, Walter A. Lavina, and Sastia Prama Putri Gas Chromatography/Mass Spectrometry Analysis: Nontargeted Metabolomics Based on Scan Mode Analysis-- Hiroshi Tsugawa and Arjen Lommen LC/QqQ/MS Analysis: Widely Targeted Metabolomics on the Basis of Multiple Reaction Monitoring-- Fumio Matsuda and Hiroshi Tsugawa Statistical Analysis-- Hiroshi Tsugawa and Takeshi Bamba Case Studies-- Walter A. Lavina, Yusuke Fujieda, Udi Jumhawan, Sastia Prama Putri, and Eiichiro Fukusaki.
  • (source: Nielsen Book Data)
Mass Spectrometry-Based Metabolomics: A Practical Guide is a simple, step-by-step reference for profiling metabolites in a target organism. It discusses optimization of sample preparation for urine, serum, blood, tissue, food, and plant and animal cell samples. Encompassing three different technical fields-biology, analytical chemistry, and informatics- mass spectrometry-based metabolomics can be challenging for biologists without special training in quantitative mass spectrometry. This book is designed to overcome this limitation by providing researchers with the knowledge they need to use metabolomics technology in their respective disciplines. The book summarizes all steps in metabolomics research, from experimental design to sample preparation, analytical procedures, and data analysis. Case studies are presented for easy understanding of the metabolomics workflow and its practical applications in different research fields. The book includes an in-house library and built-in software so that those new to the field can begin to analyze real data samples. In addition to being an excellent introductory text, the book also contains the latest advancements in this emerging field and can thus be a useful reference for metabolomics specialists.
(source: Nielsen Book Data)
  • Metabolomics in a Nutshell-- Sastia Prama Putri and Eiichiro Fukusaki Design of Metabolomics Experiment-- Sastia Prama Putri, Fumio Matsuda, and Takeshi Bamba Sample Preparation-- Yoshihiro Izumi, Walter A. Lavina, and Sastia Prama Putri Gas Chromatography/Mass Spectrometry Analysis: Nontargeted Metabolomics Based on Scan Mode Analysis-- Hiroshi Tsugawa and Arjen Lommen LC/QqQ/MS Analysis: Widely Targeted Metabolomics on the Basis of Multiple Reaction Monitoring-- Fumio Matsuda and Hiroshi Tsugawa Statistical Analysis-- Hiroshi Tsugawa and Takeshi Bamba Case Studies-- Walter A. Lavina, Yusuke Fujieda, Udi Jumhawan, Sastia Prama Putri, and Eiichiro Fukusaki.
  • (source: Nielsen Book Data)
Mass Spectrometry-Based Metabolomics: A Practical Guide is a simple, step-by-step reference for profiling metabolites in a target organism. It discusses optimization of sample preparation for urine, serum, blood, tissue, food, and plant and animal cell samples. Encompassing three different technical fields-biology, analytical chemistry, and informatics- mass spectrometry-based metabolomics can be challenging for biologists without special training in quantitative mass spectrometry. This book is designed to overcome this limitation by providing researchers with the knowledge they need to use metabolomics technology in their respective disciplines. The book summarizes all steps in metabolomics research, from experimental design to sample preparation, analytical procedures, and data analysis. Case studies are presented for easy understanding of the metabolomics workflow and its practical applications in different research fields. The book includes an in-house library and built-in software so that those new to the field can begin to analyze real data samples. In addition to being an excellent introductory text, the book also contains the latest advancements in this emerging field and can thus be a useful reference for metabolomics specialists.
(source: Nielsen Book Data)
Biology Library (Falconer)
Status of items at Biology Library (Falconer)
Biology Library (Falconer) Status
Stacks
QP171 .M37 2015 Unknown
Book
1 online resource (8 p. ) : digital, PDF file.
Members of the genus Clostridium collectively have the ideal set of the metabolic capabilities for fermentative biofuel production: cellulose degradation, hydrogen production, and solvent excretion. No single organism, however, can effectively convert cellulose into biofuels. Here we developed, using metabolomics and isotope tracers, basic science knowledge of Clostridial metabolism of utility for future efforts to engineer such an organism. In glucose fermentation carried out by the biofuel producer Clostridium acetobutylicum, we observed a remarkably ordered series of metabolite concentration changes as the fermentation progressed from acidogenesis to solventogenesis. In general, high-energy compounds decreased while low-energy species increased during solventogenesis. These changes in metabolite concentrations were accompanied by large changes in intracellular metabolic fluxes, with pyruvate directed towards acetyl-CoA and solvents instead of oxaloacetate and amino acids. Thus, the solventogenic transition involves global remodeling of metabolism to redirect resources from biomass production into solvent production. In contrast to C. acetobutylicum, which is an avid fermenter, C. cellulolyticum metabolizes glucose only slowly. We find that glycolytic intermediate concentrations are radically different from fast fermenting organisms. Associated thermodynamic and isotope tracer analysis revealed that the full glycolytic pathway in C. cellulolyticum is reversible. This arises from changes in cofactor utilization for phosphofructokinase and an alternative pathway from phosphoenolpyruvate to pyruvate. The net effect is to increase the high-energy phosphate bond yield of glycolysis by 150% (from 2 to 5) at the expense of lower net flux. Thus, C. cellulolyticum prioritizes glycolytic energy efficiency over speed. Degradation of cellulose results in other sugars in addition to glucose. Simultaneous feeding of stable isotope-labeled glucose and unlabeled pentose sugars (xylose or arabinose) to C. acetobutylicum revealed that, as expected, glucose was preferred, with the pentose sugar selectively assimilated into the pentose phosphate pathway (PPP). Simultaneous feeding of xylose and arabinose revealed an unexpected hierarchy among these pentose sugars, with arabinose utilized preferentially over xylose. Pentose catabolism occurred via the phosphoketolase pathway (PKP), an alternative route of pentose catabolism that directly converts xylulose-5-phosphate into acetyl-phosphate and glyceraldehyde-3-phosphate. Taken collectively, these findings reveal two hierarchies in Clostridial pentose metabolism: xylose is subordinate to arabinose, and the PPP is used less than the PKP. Thus, in addition to massively expanding the available data on Clostridial metabolism, we identified three key regulatory points suitable for targeting in future bioengineering efforts: phosphofructokinase for enhancing fermentation, the pyruvate-oxaloacetate node for controlling solventogenesis, and the phosphoketolase reaction for driving pentose catabolism.
Members of the genus Clostridium collectively have the ideal set of the metabolic capabilities for fermentative biofuel production: cellulose degradation, hydrogen production, and solvent excretion. No single organism, however, can effectively convert cellulose into biofuels. Here we developed, using metabolomics and isotope tracers, basic science knowledge of Clostridial metabolism of utility for future efforts to engineer such an organism. In glucose fermentation carried out by the biofuel producer Clostridium acetobutylicum, we observed a remarkably ordered series of metabolite concentration changes as the fermentation progressed from acidogenesis to solventogenesis. In general, high-energy compounds decreased while low-energy species increased during solventogenesis. These changes in metabolite concentrations were accompanied by large changes in intracellular metabolic fluxes, with pyruvate directed towards acetyl-CoA and solvents instead of oxaloacetate and amino acids. Thus, the solventogenic transition involves global remodeling of metabolism to redirect resources from biomass production into solvent production. In contrast to C. acetobutylicum, which is an avid fermenter, C. cellulolyticum metabolizes glucose only slowly. We find that glycolytic intermediate concentrations are radically different from fast fermenting organisms. Associated thermodynamic and isotope tracer analysis revealed that the full glycolytic pathway in C. cellulolyticum is reversible. This arises from changes in cofactor utilization for phosphofructokinase and an alternative pathway from phosphoenolpyruvate to pyruvate. The net effect is to increase the high-energy phosphate bond yield of glycolysis by 150% (from 2 to 5) at the expense of lower net flux. Thus, C. cellulolyticum prioritizes glycolytic energy efficiency over speed. Degradation of cellulose results in other sugars in addition to glucose. Simultaneous feeding of stable isotope-labeled glucose and unlabeled pentose sugars (xylose or arabinose) to C. acetobutylicum revealed that, as expected, glucose was preferred, with the pentose sugar selectively assimilated into the pentose phosphate pathway (PPP). Simultaneous feeding of xylose and arabinose revealed an unexpected hierarchy among these pentose sugars, with arabinose utilized preferentially over xylose. Pentose catabolism occurred via the phosphoketolase pathway (PKP), an alternative route of pentose catabolism that directly converts xylulose-5-phosphate into acetyl-phosphate and glyceraldehyde-3-phosphate. Taken collectively, these findings reveal two hierarchies in Clostridial pentose metabolism: xylose is subordinate to arabinose, and the PPP is used less than the PKP. Thus, in addition to massively expanding the available data on Clostridial metabolism, we identified three key regulatory points suitable for targeting in future bioengineering efforts: phosphofructokinase for enhancing fermentation, the pyruvate-oxaloacetate node for controlling solventogenesis, and the phosphoketolase reaction for driving pentose catabolism.
Book
1 online resource (8 p. ) : digital, PDF file.
Metabolomics have proven difficult to execute in an untargeted and generalizable manner. Liquid chromatography–mass spectrometry (LC–MS) has made it possible to gather data on thousands of cellular metabolites. However, matching metabolites to their spectral features continues to be a bottleneck, meaning that much of the collected information remains uninterpreted and that new metabolites are seldom discovered in untargeted studies. These challenges require new approaches that consider compounds beyond those available in curated biochemistry databases. Here we present Metabolic In silico Network Expansions (MINEs), an extension of known metabolite databases to include molecules that have not been observed, but are likely to occur based on known metabolites and common biochemical reactions. We utilize an algorithm called the Biochemical Network Integrated Computational Explorer (BNICE) and expert-curated reaction rules based on the Enzyme Commission classification system to propose the novel chemical structures and reactions that comprise MINE databases. Starting from the Kyoto Encyclopedia of Genes and Genomes (KEGG) COMPOUND database, the MINE contains over 571,000 compounds, of which 93% are not present in the PubChem database. However, these MINE compounds have on average higher structural similarity to natural products than compounds from KEGG or PubChem. MINE databases were able to propose annotations for 98.6% of a set of 667 MassBank spectra, 14% more than KEGG alone and equivalent to PubChem while returning far fewer candidates per spectra than PubChem (46 vs. 1715 median candidates). Application of MINEs to LC–MS accurate mass data enabled the identity of an unknown peak to be confidently predicted. MINE databases are freely accessible for non-commercial use via user-friendly web-tools at http://minedatabase.mcs.anl.gov and developer-friendly APIs. MINEs improve metabolomics peak identification as compared to general chemical databases whose results include irrelevant synthetic compounds. MINEs complement and expand on previous in silico generated compound databases that focus on human metabolism. We are actively developing the database; future versions of this resource will incorporate transformation rules for spontaneous chemical reactions and more advanced filtering and prioritization of candidate structures.
Metabolomics have proven difficult to execute in an untargeted and generalizable manner. Liquid chromatography–mass spectrometry (LC–MS) has made it possible to gather data on thousands of cellular metabolites. However, matching metabolites to their spectral features continues to be a bottleneck, meaning that much of the collected information remains uninterpreted and that new metabolites are seldom discovered in untargeted studies. These challenges require new approaches that consider compounds beyond those available in curated biochemistry databases. Here we present Metabolic In silico Network Expansions (MINEs), an extension of known metabolite databases to include molecules that have not been observed, but are likely to occur based on known metabolites and common biochemical reactions. We utilize an algorithm called the Biochemical Network Integrated Computational Explorer (BNICE) and expert-curated reaction rules based on the Enzyme Commission classification system to propose the novel chemical structures and reactions that comprise MINE databases. Starting from the Kyoto Encyclopedia of Genes and Genomes (KEGG) COMPOUND database, the MINE contains over 571,000 compounds, of which 93% are not present in the PubChem database. However, these MINE compounds have on average higher structural similarity to natural products than compounds from KEGG or PubChem. MINE databases were able to propose annotations for 98.6% of a set of 667 MassBank spectra, 14% more than KEGG alone and equivalent to PubChem while returning far fewer candidates per spectra than PubChem (46 vs. 1715 median candidates). Application of MINEs to LC–MS accurate mass data enabled the identity of an unknown peak to be confidently predicted. MINE databases are freely accessible for non-commercial use via user-friendly web-tools at http://minedatabase.mcs.anl.gov and developer-friendly APIs. MINEs improve metabolomics peak identification as compared to general chemical databases whose results include irrelevant synthetic compounds. MINEs complement and expand on previous in silico generated compound databases that focus on human metabolism. We are actively developing the database; future versions of this resource will incorporate transformation rules for spontaneous chemical reactions and more advanced filtering and prioritization of candidate structures.

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