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Comprehensive resource covering toxicology fundamentals, distribution of pollutants in the environment, and research methodologies for toxicological assessment of chemical mixtures
Toxicological Assessment of Combined Chemicals in the Environment offers an in-depth exploration of various approaches and molecular mechanisms regarding how minor alterations in chemical mixtures can influence an organism's toxicity, along with discussion of the challenges associated with assessing mixtures.
The first section of the book provides a concise introduction to the background and significance of combined toxicity. Section two delves into the primary sources and enrichment mechanisms of different chemical mixtures, elucidating the biological exposure pathways of these compounds. Section three introduces both classical and emerging toxicological research models in detail. Building on the descriptions of compound emission, migration, accumulation, and transformation processes, and the analysis of combined molecular toxicity in the preceding sections, section four introduces computer mathematical modeling methods for hazard assessment of compound mixtures. The final section details the challenges and future trends in this field.
Written by a highly qualified author and seasoned research contributor in the field, Toxicological Assessment of Combined Chemicals in the Environment covers sample topics including:
Toxicological Assessment of Combined Chemicals in the Environment serves as a valuable reference for researchers, students, and policymakers involved in environmental management and protection. It is particularly relevant for toxicologists, risk assessors, and those engaged in the molecular modeling of toxic mixtures.
De-Sheng Pei, PhD, Professor & Doctoral Supervisor, School of Public Health, Chongqing Medical University. He is currently engaged in research on animal disease models, germ-free fish models, toxicological effects of environmental pollutants, and molecular mechanisms of disease caused by environmental pollutants. His discoveries have been published in more than 180 research papers.
Yiyun Liu, PhD, School of Public Health, Chongqing Medical University. In 2022, Dr. Liu graduated from the Research Center for Eco-Environmental Science (RCEES), Chinese Academy of Sciences.
Foreword xiii
Preface xv
Acknowledgments xvii
List of Contributors xix
1 Introduction to Combined Toxicology, Background, Key Terminologies, and Significance 1Yingjie Xia
1.1 Introduction 1
1.2 Key Terminologies 5
1.3 Significance 7
2 Toxicokinetics of Chemical Mixture Exposure in the Environment 13Abdul Wahab Hussain, Mehvish Mumtaz, Asad Ullah Saeed, Maryam Mumtaz
2.1 Unveiling Toxicokinetics 13
2.2 Toxicokinetics and Chemical Mixture Assessment 13
2.3 List of Toxic Chemicals/Pollutants Present in the Environment 15
2.4 Toxicokinetics of Selected Organohalide Compounds/Mixtures 16
2.5 Conclusions 24
3 Toxicodynamics of Chemical Mixtures Exposure in the Organism Body 29Chunjiao Lu, Ting Yang, Xin Meng, Xiaojun Yang
3.1 Chemical Mixtures in Environment 29
3.2 Model Organism in Toxicology 32
3.3 Toxicodynamics of Chemical Mixtures 35
3.4 Conclusions 39
4 Principal Sources, Fate, and Mechanism of Chemical Mixtures in the Environment 47Bao-Fu Zhang, Yiyun Liu, De-Sheng Pei
4.1 Introduction 47
4.2 MP Mixtures 47
4.3 Pesticide Mixtures 49
4.4 HM and Metalloid Metal Mixtures 50
4.5 Nanoparticle Mixtures 51
4.6 Persistent Organic Pollutants 51
4.7 Antibiotic Mixtures 52
4.8 Conclusions 53
5 Experimental Designs and Sampling Strategies for Combined Toxicity Studies Based on Concentrations 61Manoharan Saravanan, Karunanithi Vidhya
5.1 Introduction 61
5.2 Need for Risk Assessment Studies 62
5.3 Risk Assessment of Mixture Toxicity 62
5.4 Experimental Designs and Methodologies for Mixture Toxicity 62
5.5 Concentration of Mixture Substances 64
5.6 Concentration-based Strategy 65
5.7 Ecotoxicity Tests: Acute (Short-term Exposure) and Chronic Test (Long-term Exposure) 66
5.8 Sampling of Biomarkers 71
5.9 Animal Models for Combined Toxicity 72
5.10 Conclusions 76
6 Migration and Transformation of Chemical Pollutants as Mixtures 83Xiang Ge, Yingxin Yu
6.1 Introduction 83
6.2 Volatile Organic Compounds 84
6.3 Polybrominated Diphenyl Ethers 85
6.4 Tetrabromobisphenol A and Its Derivatives 87
6.5 Per- and Polyfluoroalkyl Substances 88
6.6 Organophosphorus Flame Retardants 89
6.7 Phthalic Acid Esters 90
6.8 Polycyclic Aromatic Hydrocarbons 91
6.9 Alkylphenols 92
6.10 Methylsiloxanes 93
7 Analytical Techniques Used to Detect Chemical Mixtures in the Environment 103Thodhal Yoganandham Suman
7.1 Introduction 103
7.2 Navigating the Complexities of Mixture Toxicity: A Persistent Challenge in Environmental Health 104
7.3 Advancing Environmental Monitoring: Toward a Holistic Understanding of Chemical Mixtures 104
7.4 Sample Preparation: Enhancing Specificity and Efficiency in Mixture Analysis 106
7.5 Expanding the Analytical Toolbox: Emerging Extraction Techniques for Complex Environmental Matrices 107
7.6 Analytical Techniques for Characterizing Organic Pollutants: Advancing Beyond Traditional Approaches 108
7.7 Outlook: Toward Holistic Environmental Monitoring with Advanced Analytical Tools 111
8 Common Toxicological Experimental Models 115Xuan Ma, Dejun Huang
8.1 Male Reproductive Function 115
8.2 Female Reproductive Function 120
9 Combined Molecular Toxicity Mechanism of Heavy Metals Mixtures 125Kusheng Wu, Yuequn Chen, Wenlong Huang
9.1 Introduction: Heavy Metal Exposures Are Everywhere 125
9.2 Combined Molecular Toxicity of Heavy Metal Mixtures in the Cardiovascular System 125
9.3 Combined Molecular Toxicity of Heavy Metal Mixtures in the Nervous System 129
9.4 Combined Molecular Toxicity of Heavy Metal Mixtures in the Male Reproductive System 133
9.5 Combined Molecular Toxicity of Heavy Metal Mixtures in the Female Reproductive System 135
9.6 Combined Molecular Toxicity of Heavy Metal Mixtures in the Liver 138
9.7 Combined Molecular Toxicity of Heavy Metal Mixtures in the Immune System 139
9.8 Combined Toxicity of Heavy Metals Mixture in the Regulation of Immune Mediators 145
9.9 Combined Toxicity of Heavy Metals Mixture in the Immune Response to the Immunogen 146
9.10 Combined Molecular Toxicity of Heavy Metal Mixtures in the Tumorigenesis 147
9.11 Combined Molecular Toxicity of Heavy Metal Mixtures in the Orofacial Clefts 149
9.12 Combined Molecular Toxicity of Heavy Metal Mixtures in the Olfactory System 152
10 Combined Molecular Toxicity Mechanism of Pesticide Mixtures 173Ali Omar Jimale, Yiyun Liu, De-Sheng Pei
10.1 Introduction 173
10.2 Epidemiology of Pesticide Pollution 174
10.3 Diseases Caused by Pesticides 174
10.4 The Combined Molecular Toxicity Mechanisms of Pesticide Mixtures 175
10.5 Summary 178
11 Combined Molecular Toxicity Mechanism of Persistent Organic Pollutant Mixtures 183Ruijia Zhang, Tiangang Luan
11.1 Introduction 183
11.2 Design of the Components of POP Mixtures and Their Concentrations 184
11.3 Developmental Toxicity of POP Mixtures 189
11.4 Endocrine Effects of POP Mixtures 189
11.5 Molecular Toxicity Mechanisms of POPs 191
11.6 Conclusions 192
12 Combined Molecular Toxicity Mechanism of Emerging Pollutant Mixtures 195Xiangsheng Hong
12.1 Introduction 195
12.2 ADIs or Reactions of Pharmaceutical Mixtures 197
12.3 Mechanistic Toxicology of PPCP Mixtures 198
12.4 Conclusions and Recommendations for Future Studies 201
13 Combined Molecular Toxicity Mechanism of Phthalate Mixtures 209Yiyun Liu, De-Sheng Pei
13.1 Human Exposure of Phthalates 209
13.2 PAEs and Diseases 211
13.3 The Toxic Molecular Mechanisms of PAEs Mixture 215
13.4 Conclusion 224
14 Combined Molecular Toxicity Mechanism of Microplastics Mixtures 239Ya Liu, Yin Liu
14.1 Introduction 239
14.2 Heavy Metals 239
14.3 Persistent Organic Pollutants 241
14.4 Pathogens 243
14.5 Engineered Nanomaterials 244
14.6 Other Contaminants 245
14.7 Conclusion and Prospect 245
15 Combined Molecular Toxicity Mechanism of Flame Retardant Mixtures 249Xinyan Li, Tiangang Luan
15.1 Introduction 249
15.2 Synergistic Effects of OFR Co-exposure on Oxidative Stress and DNA Damage 250
15.3 Synergistic Effects of OFR Co-exposure on Endocrine Disruption and Reproduction Toxicity 257
15.4 Synergistic Effects of OFR Co-exposure on Neurotoxicity 259
15.5 Synergistic Effects of OFR Co-exposure on Immunotoxicity 262
15.6 Synergistic Effects of OFR Co-exposure on Growth, Development, and Organ 262
15.7 Antagonism Effects of OFR Co-exposure on Growth, Development, and Organ 266
15.8 Summary and Perspectives 267
16 Adverse Outcome Pathways (AOPs) of Combined Pollutant Mixtures and Their Toxicogenetic Endpoints 275Hossam El Din H. Abdelhafez, Mohamed Bedair M. Ahmed, Magdy Moheb El-Dein Saad
16.1 Introduction 275
16.2 Originated AOP and Approaches of Research in Public Databases 277
16.3 AOP Development Program 278
16.4 Pollutants 282
16.5 Challenges and Future Perspectives 288
16.6 Conclusion 288
17 Mathematical Model for Combined Toxicity Prediction 293Fasiha Javaid, De-Sheng Pei
17.1 Significance of Predicting Combined Toxicity 293
17.2 Fundamental Concepts of Combined Toxicity 294
17.3 Relevance of Combined Toxicity in Environmental Hazard Evaluation 301
17.4 Mathematical Models for Combined Toxicity Prediction 302
17.5 Evaluation of Model and Selection Criteria 335
17.6 Future Directions and Research Needs 335
17.7 Conclusion 336
18 Novel Quantitative Structure-Activity Relationship Tox21 Techniques for Combined Toxicity Prediction 343Na li
18.1 Introduction 343
18.2 Computational Approaches and the Policy 343
18.3 The Methods for QSAR Models 344
18.4 Tox21 and ToxCast 344
18.5 The Cases of QSAR Studies for Prediction of the Toxicity of Chemical Mixtures 346
18.6 Future Avenues of Chemical Mixture Toxicity Prediction Research 349
19 Challenges and Prospects in the Application of Experimental, Analytical, and Predictive Models in Combined Toxicity Assessment 351Naima Hamid, Qiang Yue, Jun Wang, Muhammad Junaid
19.1 Introduction 351
19.2 Experimental Models 352
19.3 Analytical Methods 355
19.4 Mathematical Models 356
19.5 Challenges and Future Prospects Associated with Combined Toxicity Assessment 357
19.6 Conclusion 359
20 Future Research Perspectives of Combined Toxicology 365Tariq Mehmood, Anam Ashraf, Kousar Parveen, Muhammad Azher Hassan, Muhammad Fahad Sardar, Muhammad Faheem, Licheng Peng, Shakeel Ahmad, Tauseef Ahmad, Predrag Ilic
20.1 Introduction 365
20.2 General Terms of TA 366
20.3 Exposure to Combined Chemicals or Mixtures 367
20.4 Risk Exposure Assessment 369
20.5 Limitations in Current Knowledge of Combined Chemical Exposure 372
20.6 Data Limitations 372
20.7 Improvements and Future Perspectives 374
21 Combined Toxicity of Chemicals: Final Thoughts and Concluding Remarks 381De-Sheng Pei, Marriya Sultan, YiYun Liu
21.1 Summary of Key Findings of This Book 381
21.2 Final Thoughts 381
21.3 Concluding Remarks 382
Index 385
Toxicology is known as the study of poisons and intoxication, which allows for the evaluation of dangers posed by industrial chemicals, plant protection products, biocides, medicinal medications and equipment, and consumer goods to humans, animals, and the environment. With the development of science and technology, the types and quantities of pollutants in water, atmosphere, and soil are increased. Many of the same or different kinds of pollutants exist together bringing harm to the environment. Pollutants in the environment can interact physically or chemically to generate new toxic substances. These substances, which can have stronger or weaker toxicity, can affect the balance of the ecosystem. The toxicity study of a single substance is not suitable for analyzing a variety of environmental pollution effects, but the combined toxicity effect can more accurately and truly reflect the biological toxicity of pollutants. Therefore, this book aims to focus on the research methods of combined toxicity, the progress of research on the combined toxicity of environmental pollutants, and propose the challenges of establishing relevant technical means and models in future research strategies
Introductory Chapter 1 proposes the concept of combined toxicology, including its background, key terminologies, and significance for assessing risks from environmental contaminants. Although it can provide a more realistic understanding of the potential environmental risks and health effects of exposure to multiple chemicals, it also poses some challenges for research due to the complexity of chemical mixtures, lack of standardized methods, and limited availability of data. Chapter 2 provides information on the toxicokinetics of chemical mixtures, such as organic halides, insecticides, and plasticizers, and understands the degradation, oxidation, and distribution processes of the mixture in the environment. The application of toxicokinetic evaluation models and methods can help predict the harmful effects of chemical mixtures on organisms and provide guidance for health risks. Chapter 3 provides an overview of the toxicological effects of several major chemical contaminants present in the environment, using chemical mixtures as an entry point and the common model animals as the main research objects. The toxicological effects of the major environmental chemical pollutants on the target organs of the heart, nerves, blood vessels, liver, and kidneys are analyzed. We hope to let readers understand the importance and practical significance of combined toxicity research by clarifying the causes and hazards of compound mixed exposure in Section 1.
It is an important research subject and premise of toxicology to understand the mixing mode and the fate of the environmental behavior of compounds before the biological toxicity test. Therefore, in Section 2, we will introduce the main sources and enrichment mechanisms of different chemical mixtures, and clarify the biological exposure pathways of different compounds. Chapter 4 comprehensively investigates the sources, pathways, and mechanisms involved in the formation of chemical mixtures containing heavy metals and pesticides in soil environments, as well as those comprising heavy metals, microplastics, and nanoparticles in various environmental media. Chapter 5 interpretes how the interaction between the multi-chemicals in the mixture form changed their toxicity to aquatic vertebrates and invertebrates and provided valuable insights into critical impacts on the ecological hazard of their combinations. Chapter 6 highlights the overall geochemical behavior of volatile organic pollutants (VOCs) mixtures. The concentration, dispersion, and disappearance of pollutants caused by spatial motion are defined as migration. At the same time, pollutants will be converted into new compounds, which may cause greater harm to the environment. Their migration and transformation are not only affected by their solubility, adsorption constant, volatility, and other properties but also limited by environmental conditions such as photolysis and microbial hydrolysis. Chapter 7 emphasizes analytical methods for identifying, characterizing, and monitoring classes of hazardous compounds in intricate matrices and techniques that integrate chemical analyses, which may make it easier to identify chemical mixes that cause a combined risk.
The use of an experimental model is a common method of toxicological research. Chapter 8 introduces the toxicological model of zebrafish, analyzes the research cases, and proposes the parameters that can be used to characterize the reproductive function of zebrafish and the corresponding detection methods. This chapter provides a reference for model organism selection and model establishment. At the same time, based on the different toxicological effects of different compounds, Chapter 9 describes the combined molecular toxicity of heavy metals in cardiovascular, nervous, reproductive, liver, immune, and olfactory systems from the perspective of population investigation and experimental testing. Chapter 10 highlights pesticide pollution has been linked to a wide range of human diseases and disorders including neurodevelopmental disorders, neurodegenerative diseases, cancers, neurotoxicity, and congenital defects. Pesticides alter the body's antioxidant defensive mechanisms and increase the accumulation of reactive oxygen species leading to oxidative stress. Pesticides also inhibit cytochrome P450 enzymes competitively binding at the enzyme's active site and interfering with the electron transfer chain. Chapter 11 reviews the developmental toxicity and endocrine effects caused by mixtures of persistent organic pollutants (POPs) in epidemiological and experimental studies. Meanwhile, it discusses the molecular toxicity mechanisms of POPs, including epigenetic changes, hormone receptors, oxidative stress, cell death-related signaling pathways, and mitochondrial dysfunction. Chapters 12 and 13 provide an overview of the "state of the art" literature data on the effects and molecular toxicity mechanisms of pharmaceuticals and personal care products (PPCPs) and phthalates (PAEs), with special emphasis on their mixture scenarios. Chapter 14 highlights the impact of microplastic mixtures on molecular toxicity mechanisms. By considering the varying toxicological effects of different pollutants, it explores the combined toxicity mechanisms of heavy metals, persistent organic pollutants, pathogens, engineered nanoparticles, and other pollutants with microplastics. Chapter 15 provides a useful summary of the combined toxicity and molecular mechanisms of exposure to flame retardants (FRs) mixtures, presenting the scientific challenges and potential research directions. Chapter 16 discusses the challenges of adverse outcome pathway (AOP) as a theoretical framework and method for obtaining and analyzing toxicological data and suggests that omics could be employed as a more specific tool to differentiate between mode and mechanism of action.
Section 4 introduces the computer mathematical modeling method for hazard assessment of chemical mixtures. This is a fast and promising risk assessment method, which can predict the physical and chemical properties related to the fate of compounds and predict the toxicological endpoint. Chapter 17 delves into the vital realm of combined toxicity prediction and offers a comprehensive insight into mathematical models for combined toxicity prediction. Chapter 18 reviews the quantitative structure-activity relationships (QSARs) models for predicting endocrine disrupting activities and acute toxicities, as well as the QSAR models based on machine learning method, biomolecular interaction networks, toxicokinetic-toxicodynamic studies, high-throughput transcriptomics approach, and geospatial modeling approach.
Although the combined toxicity of chemical mixtures has attracted more and more attention, there are still many challenges to overcome. Therefore, Chapter 19 emphasizes the mechanistic combined toxicity of the legacy and emerging environmental pollutants, both in vivo and in vitro models, and discusses the challenges of applying experimental, analytical, and predictive models in combined toxicity assessment. Chapter 20 highlights that these mixtures can exhibit diverse interactions, including additive, synergistic, or antagonistic effects, that cannot be precisely anticipated by isolating the constituent chemicals. Employing the procedure of toxicological assessment is a thorough approach to scrutinizing the possible dangers and perils posed by chemicals. This new technology is expected to effectively assess the hazards of simultaneous exposure to chemical substances and propose mitigation strategies.
Chapter 21 provides final thoughts and concluding remarks. The increasing pollution rate has resulted in numerous chemical pollutants in complex mixtures, severely threatening human and environmental health. This book systematically examines combined toxicity, environmental behavior, sampling and detection techniques, experimental programs, toxicity mechanisms, and model analysis strategies. However, challenges persist due to vast chemical combinations, exposure scenarios, and mixture interaction complexities. This book is a comprehensive resource for research on combined toxicology. It highlights current progress in the field and underscores the need for continued research, collaboration, and the application of scientific findings to practical solutions.
Prof. De-Sheng Pei and Dr. Yiyun Liu
School of Public Health
Chongqing Medical...
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