Transformation Products of Emerging Contaminants in the Environment: Analysis, Processes, Occurrence, Effects and Risks -- Contents -- Preface -- List of Contributors -- Part I: General Considerations -- 1 Classifying the Transformation Products (TPs) of Emerging Contaminants (ECs) for Prioritizing Research into their Impact on the Environment and Human Health -- 1.1 Introduction -- 1.2 Emerging Contaminants - Emerging Problem -- 1.2.1 Veterinary and Human Antibiotics -- 1.2.2 Human Drugs -- 1.2.3 Industrial and Household Wastewater Products -- 1.2.4 Sex and Steroidal Hormones -- 1.3 Transformation Products of ECs -- 1.3.1 Veterinary and Human Antibiotics -- 1.3.2 Human Drugs -- 1.3.3 Industrial and Household Wastewater Products -- 1.3.4 Sex and Steroidal Hormones -- 1.4 Minimizing Environmental Risk of ECs and their TPs -- 1.4.1 Designing a Risk Minimization Strategy -- 1.4.2 Results of the Prioritization Procedure -- 1.5 Concluding Remarks and Future Perspectives -- References -- 2 Transformation Products of Emerging Organic Compounds as Future Groundwater and Drinking Water Contaminants -- 2.1 Introduction -- 2.2 Sources and Pathways of Emerging Contaminants to Groundwater -- 2.3 Persistence in the Groundwater Environment -- 2.4 Emerging Contaminants and their Transformation Products in Groundwater -- 2.4.1 Pesticides -- 2.4.2 Pharmaceuticals -- 2.4.3 Personal Care Products and Synthetic Musks -- 2.4.4 Caffeine and Nicotine -- 2.4.5 Alkylphenols and Other Endocrine Disruptors -- 2.4.6 Disinfection By-Products -- 2.4.7 Brominated and Fluorinated Compounds -- 2.4.8 Triazoles -- 2.4.9 Naphthenic Acids -- 2.4.10 Explosive Residues -- 2.4.11 Algal Toxins -- 2.5 Toxicity and Risk Assessment -- 2.6 Conclusions -- References -- Part II: Transformation Processes and Treatment Strategies.

3 Phototransformation Processes of Emerging Contaminants in Surface Water -- 3.1 Introduction -- 3.2 Direct Photolysis and Sensitised Reactions in the Transformation of Emerging Contaminants -- 3.2.1 Direct Photolysis -- 3.2.2 Reaction with OH -- 3.2.3 Reaction with CO3‾ -- 3.2.4 Reaction with 3CDOM* -- 3.2.5 Reaction with 1O2 -- 3.3 The Case of Photonitration -- 3.4 Towards the Modelling of Phototransformation Kinetics in Surface Water -- 3.4.1 Surface-Water Absorption Spectrum -- 3.4.2 Reaction with OH -- 3.4.3 Direct Photolysis -- 3.4.4 Reaction with CO3‾ -- 3.4.5 Reaction with 1O2 -- 3.4.6 Reaction with 3CDOM* -- 3.4.7 Photochemical Transformation of Organic Pollutants -- 3.4.8 Photo-Transformation of Intermediates -- References -- 4 Transformation Products of Emerging Contaminants upon Reaction with Conventional Water Disinfection Oxidants -- 4.1 Introduction -- 4.2 Analytical Methodology for Transformation Products Identification -- 4.2.1 GC-MS-Based Approaches -- 4.2.2 LC-MS-Based Approaches -- 4.3 Factors Influencing the Kinetics of Chlorination -- 4.4 Overview of Typical Reaction Mechanisms During Free Chlorine Treatments -- 4.5 Review of Current Knowledge of Emerging Pollutant Reactions with Free Chlorine -- 4.5.1 Pharmaceuticals -- 4.5.2 Androgenic and Estrogenic Steroidal Compounds -- 4.5.3 Substances of Abuse -- 4.5.4 Bisphenol A and Nonylphenol -- 4.5.5 Bactericides: Triclosan and Parabens -- 4.5.6 UV Filters -- 4.5.7 Antioxidants -- 4.5.8 Cyanotoxins -- 4.6 Other Disinfection Agents -- 4.6.1 Chlorine Dioxide -- 4.6.2 Chloramination -- 4.6.3 Permanganate and Ferrate -- 4.7 Conclusions and Outlook -- References -- 5 Approaches to Water andWastewater Treatment for Removal of Emerging Contaminants: Ongoing Research and Recommendations for Future Work -- 5.1 Introduction -- 5.2 Ozonation -- 5.3 Membrane Processes.

5.4 Membrane Bioreactors (MBR) -- 5.5 AOPs Including Solar AOPs -- 5.5.1 Solar Driven Advanced Oxidation Processes -- 5.5.2 Different Approaches for Treating ECs by Solar AOPs -- References -- 6 Transformation Products of Emerging Contaminants Formed during Advanced Oxidation Processes -- 6.1 Introduction -- 6.2 Pesticides -- 6.2.1 Organophosphorus Insecticides -- 6.2.2 Anilide Herbicides (ANHs) -- 6.2.3 Phenylurea Herbicides (PUHs) -- 6.2.4 Neonicotinoid Insecticides (NCIs) -- 6.2.5 Glyphosate Herbicide -- 6.3 Phthalate Esters -- 6.4 Pharmaceutical Compounds -- 6.4.1 Fibrates -- 6.4.2 β-Blockers -- 6.5 Others -- 6.5.1 Bisphenol A -- 6.5.2 Triclosan -- 6.6 Conclusions -- Acknowledgments -- References -- 7 Enzymatic Reactors Applied for the Biotransformation of Endocrine Disrupting Chemicals -- 7.1 Endocrine Disrupting Chemicals -- 7.1.1 Sources and Fate -- 7.1.2 Physicochemical Properties and Ecotoxicity of Endocrine Disrupting Chemicals -- 7.1.3 Estrogenic Activity -- 7.1.4 Methods for the Removal of EDCs -- 7.2 White-Rot Fungi and Their Lignin Modifying Enzymes -- 7.2.1 Characteristics of the White-Rot Fungi -- 7.2.2 Lignin-Modifying Enzymes and Their Mediators -- 7.3 Enzymatic Reactors -- 7.3.1 Free Enzymes -- 7.3.2 Immobilized Enzymes -- 7.4 Determination of Transformation Products from the Enzymatic Treatment of EDCs -- 7.4.1 Analytical Techniques -- 7.4.2 Transformation Products Detected in Enzymatic Treatments -- References -- 8 Biologically Mediated Chiral Inversion of Emerging Contaminants -- 8.1 Introduction -- 8.1.1 Nomenclature -- 8.1.2 Enantiomeric Fraction -- 8.1.3 Chiral Emerging Contaminants -- 8.2 Enantiospecific Analytical Methods -- 8.3 Changes in Enantiomeric Composition During Biological Transformation Processes -- 8.4 Evidence for Biologically Mediated Chiral Inversion -- 8.5 Implications and Priorities for Future Research.

References -- Part III: Analytical Strategies -- 9 Quality Issues in Water Sampling, Sample Pre-Treatment and Monitoring -- 9.1 Introduction -- 9.2 Monitoring of Transformation Products in Water Bodies -- 9.3 Sample Representativeness and Stability Issues -- 9.4 Identification of Transformation Products and Legislative Requirements -- 9.4.1 Basic Principles -- 9.4.2 Quality Control in Qualitative Analysis of TPs -- 9.4.3 Applications -- 9.5 Conclusions -- References -- 10 Transformation Products of Emerging Contaminants: Analytical Challenges and Future Needs -- 10.1 Introduction -- 10.2 Generation, Detection and Identification of Transformation Products at Lab Scale: An Analytical Challenge -- 10.2.1 Detection of Transformation Products with GC-MS and LC-MS -- 10.2.2 Identification of Transformation Products -- 10.3 Quantitative Analysis of TPs in the Environment -- 10.3.1 Sample Preparation -- 10.3.2 Determination of TPs in the Environment with High and Low Resolution Mass Spectrometric Techniques -- 10.4 Evaluation of the Toxicity of TPs -- 10.5 Conclusions and Future Needs -- Acknowledgments -- References -- 11 Advanced Mass Spectrometry-Based Techniques for the Identification and Structure Elucidation of Transformation Products of Emerging Contaminants -- 11.1 Introduction -- 11.2 Potential and Differences Among the Different MS Systems for Determining Unknown Compounds -- 11.2.1 GC-MS versus LC-MS -- 11.2.2 Capability and Potential of Instrumentation: The Right Analyzer -- 11.3 How to Proceed in the Structural Attribution -- 11.3.1 Kind of Analysis to be Performed -- 11.3.2 Strategies of Accurate Mass Screening for (non)Target Compounds and Unknowns: Elementary Composition Assignment -- 11.3.3 Structural Attribution by MSn -- 11.3.4 Limitation.

11.4 Accurate Mass Screening and Identification of Emerging Contaminants in Environmental Samples: Some Cases Studied -- 11.4.1 The Spectra Library: GC-MS Approach -- 11.4.2 LC-MS2 (QqQ) Identification of Fluoxetine Transformation Products -- 11.4.3 Identification of Unknown with LTQ Orbitrap -- 11.4.4 Focus on the Same Pollutant Studied with Different Analyzers: The Case of Diclofenac -- 11.4.5 The Use of FTICR-MS for Photodecomposition Transformation Products of Two Pesticides -- 11.4.6 Combined Approach -- 11.5 Conclusions -- References -- 12 Applications of NMR Techniques for the Identification and Structure Elucidation of Emerging Organic and Other Xenobiotic Organic Contaminants -- 12.1 Introduction -- 12.2 Basic Techniques -- 12.2.1 Sample Enrichment and Clean-up -- 12.2.2 Tube NMR -- 12.2.3 Hyphenated NMR Techniques -- 12.3 Applications -- 12.3.1 EOCs and XOCs: Identification of the Transformation Products -- 12.3.2 Identification of Disinfection By-Products -- 12.3.3 Direct Analysis of XOCs and EOCs in Environmental Samples -- 12.3.4 Other Topics -- 12.4 Conclusions -- List of Abbreviations -- References -- Part IV: Occurrence, Fate and Effects in the Environment: An Overview of Major Classes -- 13 Transformation Products of Pesticides in the Environment: Analysis and Occurrence -- 13.1 Introduction -- 13.2 Transformation of Pesticides in the Environment -- 13.3 Analytical Techniques Used in the Identification and Analysis of TPs -- 13.3.1 Sample Preparation and Preconcentration -- 13.3.2 Analytical Determination -- 13.4 Occurrence of Pesticide TPs in the Environment -- 13.5 Concluding Remarks -- Acknowledgments -- References -- 14 Metabolites and Transformation Products of Pharmaceuticals in the Aquatic Environment as Contaminants of Emerging Concern -- 14.1 Introduction -- 14.2 Human Metabolites in the Aquatic Environment.

14.3 Biotransformation Products in the Aquatic Environment.