Computational Nanotoxicology

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Computational Nanotoxicology

Author : Agnieszka Gajewicz
Publisher : CRC Press
ISBN 13 : 1000680886
Total Pages : 570 pages
Book Rating : 4.0/5 (6 download)

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Book Synopsis Computational Nanotoxicology by : Agnieszka Gajewicz

Download or read book Computational Nanotoxicology written by Agnieszka Gajewicz and published by CRC Press. This book was released on 2019-11-13 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials (ENMs) has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of ENMs, computational methods originally developed for regular chemicals cannot always be applied explicitly in nanotoxicology. This book discusses the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. It focuses on (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics), (ii) nanochemoinformatic methods (quantitative structure–activity relationship modeling, grouping, read-across), and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics). It reviews methods of calculating molecular descriptors sufficient to characterize the structure of nanoparticles, specifies recent trends in the validation of computational methods, and discusses ways to cope with the uncertainty of predictions. In addition, it highlights the status quo and further challenges in the application of computational methods in regulation (e.g., REACH, OECD) and in industry for product development and optimization and the future directions for increasing acceptance of computational modeling for nanotoxicology.

Nanotoxicology

Author : Alok Dhawan
Publisher : Royal Society of Chemistry
ISBN 13 : 1788012593
Total Pages : 380 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Nanotoxicology by : Alok Dhawan

Download or read book Nanotoxicology written by Alok Dhawan and published by Royal Society of Chemistry. This book was released on 2017-11-03 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rapid expansion of the nanotechnology field raises concerns, like any new technology, about the toxicity and environmental impact of nanomaterials. This book addresses the gaps relating to health and safety issues of this field and aims to bring together fragmented knowledge on nanosafety. Not only do chapters address conventional toxicity issues, but also more recent developments such as food borne nanoparticles, life cycle analysis of nanoparticles and nano ethics. In addition, the authors discuss the environmental impact of nanotechnologies as well as safety guidelines and ethical issues surrounding the use of nanoparticles. In particular this book presents a unique compilation of experimental and computational perspectives and illustrates the use of computational models as a support for experimental work. Nanotoxicology: Experimental and Computational Perspectives is aimed towards postgraduates, academics, and practicing industry professionals. This highly comprehensive review also serves as an excellent foundation for undergraduate students and researchers new to nanotechnology and nanotoxicology. It is of particular value to toxicologists working in nanotechnology, chemical risk assessment, food science, environmental, safety, chemical engineering, the biological sciences and pharmaceutical research.

Computational Toxicology

Author : Sean Ekins
Publisher : John Wiley & Sons
ISBN 13 : 1119282578
Total Pages : 432 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Computational Toxicology by : Sean Ekins

Download or read book Computational Toxicology written by Sean Ekins and published by John Wiley & Sons. This book was released on 2018-01-08 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals. • Provides a perspective of what is currently achievable with computational toxicology and a view to future developments • Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment • Assembles cutting-edge concepts and leading authors into a unique and powerful single-source reference • Includes in-depth looks at QSAR models, physicochemical drug properties, structure-based drug targeting, chemical mixture assessments, and environmental modeling • Features coverage about consumer product safety assessment and chemical defense along with chapters on open source toxicology and big data

Computational Toxicology for Drug Safety and a Sustainable Environment

Author : Tahmeena Khan, Saman Raza
Publisher : Bentham Science Publishers
ISBN 13 : 9815196995
Total Pages : 233 pages
Book Rating : 4.8/5 (151 download)

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Book Synopsis Computational Toxicology for Drug Safety and a Sustainable Environment by : Tahmeena Khan, Saman Raza

Download or read book Computational Toxicology for Drug Safety and a Sustainable Environment written by Tahmeena Khan, Saman Raza and published by Bentham Science Publishers. This book was released on 2023-12-18 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to predict toxicological profiles of chemical compounds. The book also aims to help academics view toxicological assessment from the lens of sustainability by providing an overview of the recent developments in environmentally-friendly practices. The chapters review the strengths and weaknesses of the existing methodologies, and cover new developments in computational tools to explain how researchers aim to get accurate results. Each chapter features a simple introduction and list of references to benefit a broad range of academic readers. List of topics: 1. Applications of computational toxicology in pharmaceuticals, environmental and industrial practices 2. Verification, validation and sensitivity studies of computational models used in toxicology assessment 3. Computational toxicological approaches for drug profiling and development of online clinical repositories 4. How to neutralize chemicals that kill environment and humans: an application of computational toxicology 5. Adverse environmental impact of pharmaceutical waste and its computational assessment 6. Computational aspects of organochlorine compounds: DFT study and molecular docking calculations 7. In-silico studies of anisole and glyoxylic acid derivatives 8. Computational toxicology studies of chemical compounds released from firecrackers 9. Computational nanotoxicology and its applications Readership Graduate and postgraduate students, academics and researchers in pharmacology, computational biology, toxicology and environmental science programs.

Nanotoxicology

Author : Vineet Kumar
Publisher : CRC Press
ISBN 13 : 1351138189
Total Pages : 610 pages
Book Rating : 4.3/5 (511 download)

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Book Synopsis Nanotoxicology by : Vineet Kumar

Download or read book Nanotoxicology written by Vineet Kumar and published by CRC Press. This book was released on 2018-03-12 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the application of nanotechnology in the myriad disciplines of science and engineering--from agriculture, pharmaceuticals, material science, and biotechnology to sensors, electronics, and mechanical and electrical engineering--brings benefits it also can produce serious threats to human health and the environment that must be evaluated. The unique properties of nanomaterials make them different from their bulk counterparts. In addition to such unique properties, the nanometric size of nanomaterials can invite some detrimental effects on the health and well-being of living organisms and the environment. Thus, it is important to distinguish nanomaterials with such ill effects from nanomaterials with no or minimum toxicity. Nanotoxicology: Toxicity Evaluation, Risk Assessment and Management covers issues such as the basic principles of nanotoxicity, methods used for nanotoxicity evaluation, risk assessment and its management for nanomaterial toxicity with a focus on current trends, limitations, challenges, and future directions of nanotoxicity evaluation. Various experts from different countries discuss these issues in detail in this book. This will be helpful to researchers, educators, and students who are interested in research opportunities for avoiding the environmental and health hazards of nanomaterials. This book will also be useful for industrial practitioners, policy makers, and other professionals in the fields of toxicology, medicine, pharmacology, food, drugs, and other regulatory sciences.

Computational Drug Delivery

Author : Pooja A. Chawla
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3111208672
Total Pages : 448 pages
Book Rating : 4.1/5 (112 download)

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Book Synopsis Computational Drug Delivery by : Pooja A. Chawla

Download or read book Computational Drug Delivery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book bridges the gap between pharmaceutics and molecular modelling at the micro, meso and macro scale. It covers Lipinski's rule of five, nanoparticulate drug delivery, computational prediction of drug solubility and ability to cross blood brain barrier, computer-based simulation of pharmacokinetic parameters, virtual screening of mucoadhesive polymers, QSPR modelling, designing of 2D nanomaterials and role of principal component analysis.

Towards Efficient Designing of Safe Nanomaterials

Author : Jerzy Leszczynski
Publisher : Royal Society of Chemistry
ISBN 13 : 1849735476
Total Pages : 379 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Towards Efficient Designing of Safe Nanomaterials by : Jerzy Leszczynski

Download or read book Towards Efficient Designing of Safe Nanomaterials written by Jerzy Leszczynski and published by Royal Society of Chemistry. This book was released on 2012-09-30 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The expanding field of nanotechnology is now one of the most promising areas of science. However, because some nanoparticles can have a negative impact on human health and the environment, the design of novel materials must always be accompanied by a comprehensive risk assessment. Until now, the information on the methods available has been fragmented and incomplete. This book is the first to provide a comprehensive review of recent progress and challenges in the risk assessment of nanomaterials by empirical and computational techniques. Topics covered include: benefits versus risks, carbon based nanomaterials, environmental detection and quantitative analysis, chemometric modelling, human exposure assessment, toxicity testing, nano-QSAR, risk assessment strategies, policy and regulatory frameworks.

Nanotoxicology

Author : Nancy A. Monteiro-Riviere
Publisher : CRC Press
ISBN 13 : 1482203871
Total Pages : 516 pages
Book Rating : 4.4/5 (822 download)

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Book Synopsis Nanotoxicology by : Nancy A. Monteiro-Riviere

Download or read book Nanotoxicology written by Nancy A. Monteiro-Riviere and published by CRC Press. This book was released on 2014-03-03 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first publication of this book in 2007, the field of nanoscience and nanomedicine continues to grow substantially. This second edition, Nanotoxicology: Progress toward Nanomedicine, enlists internationally recognized experts to document the continuing development and rationale for the safe design of engineered nanomaterials (ENM). This includes new improved characterization endpoints, screening, and detection methods for in vitro and in vivo toxicity testing. These tools also contribute greatly to nanosafety research applied to nanomedicines. Topics include The impacts of nanotechnology on biomedicine, including functionalization for tissue-specific targeting, the biointeractions of multifunctional nanoparticle-based therapy, and the ability to control specific physicochemical properties of nanoparticles The requirements for proper detection, measurement, and assessment both for workplace exposure and in consumer products—with a focus on potential health and safety implications Predictive modeling, using quantitative nanostructure activity relationships to predict the pharmacokinetics and biodistribution of nanomaterials in the body Specific methodologies, imaging, and techniques to assess nanomaterials from the manufacturing process to nanomedicine applications Tools for assessing nanoparticle toxicity and the limitations of detection methods for assessing toxicity in both in vivo and in vitro systems and at the single cell and tissue levels Toxicity of nanomaterials to specific organ systems, cell–based targeting to tumors, and other biomedical applications The difficulty of conducting risk assessments and the need for addressing knowledge gaps, especially with long-term studies A roadmap for future research The development of nanotechnology-based products must be complemented with appropriate validated methods to assess, monitor, manage, and reduce the potential risks of ENM to human health and the environment. This volume provides a cogent survey of advances in this area by a well-respected and diverse group of international scientists.

Modelling the Toxicity of Nanoparticles

Author : Lang Tran
Publisher : Springer
ISBN 13 : 3319477544
Total Pages : 360 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis Modelling the Toxicity of Nanoparticles by : Lang Tran

Download or read book Modelling the Toxicity of Nanoparticles written by Lang Tran and published by Springer. This book was released on 2017-02-06 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: In today’s nanotechnology and pharmaceutical research, alternative toxicology testing methods are crucial for ethically and commercially sound practice. This book provides practical guidelines on how to develop and validate quantitative nanostructure-toxicity relationship (QNTR) models, which are ideal for rapidly exploring the effects of a large number of variables in complex scenarios. Through contributions by academic, industrial, and governmental experts, Modelling the Toxicity of Nanoparticles delivers clear instruction on these methods and their integration and use in risk assessment. Specific topics include the physico-chemical characteristics of engineered nanoparticles, nanoparticle interactions, in vivo nanoparticle processing, and more. A much-needed practical guide, Modelling the Toxicity of Nanoparticles is a key text for researchers as well as government and industry regulators.

Information Resources in Toxicology, Volume 1: Background, Resources, and Tools

Author : Steve Gilbert
Publisher : Academic Press
ISBN 13 : 0128137258
Total Pages : 1055 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Information Resources in Toxicology, Volume 1: Background, Resources, and Tools by : Steve Gilbert

Download or read book Information Resources in Toxicology, Volume 1: Background, Resources, and Tools written by Steve Gilbert and published by Academic Press. This book was released on 2020-05-16 with total page 1055 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new fifth edition of Information Resources in Toxicology offers a consolidated entry portal for the study, research, and practice of toxicology. Both volumes represents a unique, wide-ranging, curated, international, annotated bibliography, and directory of major resources in toxicology and allied fields such as environmental and occupational health, chemical safety, and risk assessment. The editors and authors are among the leaders of the profession sharing their cumulative wisdom in toxicology’s subdisciplines. This edition keeps pace with the digital world in directing and linking readers to relevant websites and other online tools. Due to the increasing size of the hardcopy publication, the current edition has been divided into two volumes to make it easier to handle and consult. Volume 1: Background, Resources, and Tools, arranged in 5 parts, begins with chapters on the science of toxicology, its history, and informatics framework in Part 1. Part 2 continues with chapters organized by more specific subject such as cancer, clinical toxicology, genetic toxicology, etc. The categorization of chapters by resource format, for example, journals and newsletters, technical reports, organizations constitutes Part 3. Part 4 further considers toxicology’s presence via the Internet, databases, and software tools. Among the miscellaneous topics in the concluding Part 5 are laws and regulations, professional education, grants and funding, and patents. Volume 2: The Global Arena offers contributed chapters focusing on the toxicology contributions of over 40 countries, followed by a glossary of toxicological terms and an appendix of popular quotations related to the field. The book, offered in both print and electronic formats, is carefully structured, indexed, and cross-referenced to enable users to easily find answers to their questions or serendipitously locate useful knowledge they were not originally aware they needed. Among the many timely topics receiving increased emphasis are disaster preparedness, nanotechnology, -omics, risk assessment, societal implications such as ethics and the precautionary principle, climate change, and children’s environmental health. Introductory chapters provide a backdrop to the science of toxicology, its history, the origin and status of toxicoinformatics, and starting points for identifying resources Offers an extensive array of chapters organized by subject, each highlighting resources such as journals, databases,organizations, and review articles Includes chapters with an emphasis on format such as government reports, general interest publications, blogs, and audiovisuals Explores recent internet trends, web-based databases, and software tools in a section on the online environment Concludes with a miscellany of special topics such as laws and regulations, chemical hazard communication resources, careers and professional education, K-12 resources, funding, poison control centers, and patents Paired with Volume Two, which focuses on global resources, this set offers the most comprehensive compendium of print, digital, and organizational resources in the toxicological sciences with over 120 chapters contributions by experts and leaders in the field

Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment

Author : Roy, Kunal
Publisher : IGI Global
ISBN 13 : 1466681373
Total Pages : 727 pages
Book Rating : 4.4/5 (666 download)

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Book Synopsis Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment by : Roy, Kunal

Download or read book Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.

Nanotoxicology in Nanobiomedicine

Author : PK Gupta
Publisher : Springer Nature
ISBN 13 : 3031242874
Total Pages : 185 pages
Book Rating : 4.0/5 (312 download)

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Book Synopsis Nanotoxicology in Nanobiomedicine by : PK Gupta

Download or read book Nanotoxicology in Nanobiomedicine written by PK Gupta and published by Springer Nature. This book was released on 2023-03-20 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides that knowledge needed to introduce individuals to the most important research and content on nanotoxicology in nanobiomedicine. Nanotechnology is helping to considerably improve, even revolutionize many technology and industry sectors: information technology, homeland security, medicine, transportation, energy, food safety, and environmental science, among many others. There is an urgent need for a general reference textbook that presents the most recent information on the toxicity and its effects in all these sectors, biomedicine in particular. It includes historical information, nanotoxicology by subject area and or disease, sources of nanomaterials, drug delivery systems and more. Scientists, researchers, and students in all fields that use nanotechnology will find this book essential reading.

Environmental Nanotoxicology

Author : Patrick Omoregie Isibor
Publisher : Springer Nature
ISBN 13 : 3031541545
Total Pages : 358 pages
Book Rating : 4.0/5 (315 download)

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Book Synopsis Environmental Nanotoxicology by : Patrick Omoregie Isibor

Download or read book Environmental Nanotoxicology written by Patrick Omoregie Isibor and published by Springer Nature. This book was released on 2024 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental Nanotoxicology: Combatting the Minute Contaminants is a comprehensive guide to the rapidly evolving field of nanotoxicology and its implications for environmental health and safety. This book results from the collaborative efforts of leading experts and researchers from diverse disciplines, aiming to thoroughly understand the interactions between nanomaterials and the environment and their potential impacts on the delicate balance of our ecosystems. Nanotechnology has witnessed remarkable innovations leading to the development of nanomaterials with novel properties and applications across various industries. Alongside these innovations, concerns have arisen about the potential risks that nanomaterials may pose to the environment and living organisms. This book addresses these concerns by comprehensively exploring the field's key concepts, principles, and methodologies. It includes case studies and offers insights into developing appropriate regulatory frameworks and guidelines for the responsible use and disposal of nanomaterials. The book is a valuable resource for researchers and professionals working in nanotoxicology on the complex challenges posed by the intersection of nanomaterials and the environment. It is also an essential reference for students studying environmental science, toxicology, and nanotechnology. Addresses risk assessment and management in nanotoxicology; Explores the life cycle assessment of nanoparticles; Sheds light on emerging technologies and future directions in environmental nanotoxicology. .

Nanotoxicology in Humans and the Environment

Author : Jamie R. Lead
Publisher : Springer Nature
ISBN 13 : 3030798089
Total Pages : 263 pages
Book Rating : 4.0/5 (37 download)

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Book Synopsis Nanotoxicology in Humans and the Environment by : Jamie R. Lead

Download or read book Nanotoxicology in Humans and the Environment written by Jamie R. Lead and published by Springer Nature. This book was released on 2021-12-13 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers the area of ‘Nanotoxicology’ but primarily from the point of view of nanotoxicology at the interface with other disciplines including human toxicology; environmental toxicology; characterization, dose and transformations; regulation; public and elite group perceptions; and interactions with innovation.Nanotoxicology in Humans and the Environment is written for researchers in nanotoxicology in academia, industry, government, and research students. Given the rapid development, the maturing of the discipline and its importance in current regulation and industry development (eg REACH, TSCA), the book is very timely.

Handbook of Nanotoxicology, Nanomedicine and Stem Cell Use in Toxicology

Author : Saura C. Sahu
Publisher : John Wiley & Sons
ISBN 13 : 1118855868
Total Pages : 713 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Handbook of Nanotoxicology, Nanomedicine and Stem Cell Use in Toxicology by : Saura C. Sahu

Download or read book Handbook of Nanotoxicology, Nanomedicine and Stem Cell Use in Toxicology written by Saura C. Sahu and published by John Wiley & Sons. This book was released on 2014-04-22 with total page 713 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Nanotoxicology, Nanomedicine and Stem Cell Use in Toxicology provides an insight into the current trends and future directions of research in these rapidly developing scientific fields. Written by leading scientists and experts, the Handbook will be of interest to various scientific disciplines including toxicology, medicine, and pharmacology, as well as food, drug, and other regulatory sciences.

Computational Systems Pharmacology and Toxicology

Author : Rudy J Richardson
Publisher : Royal Society of Chemistry
ISBN 13 : 1788011201
Total Pages : 348 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Computational Systems Pharmacology and Toxicology by : Rudy J Richardson

Download or read book Computational Systems Pharmacology and Toxicology written by Rudy J Richardson and published by Royal Society of Chemistry. This book was released on 2017-03-01 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: The network approaches of systems pharmacology and toxicology serve as early predictors of the most relevant screening approach to pursue both in drug discovery and development and ecotoxicological assessments. Computational approaches have the potential to improve toxicological experimental design, enable more rapid drug efficacy and safety testing and also reduce the number of animals used in experimentation. Rapid advances in availability of computing technology hold tremendous promise for advancing applied and basic science and increasing the efficiency of risk assessment. This book provides an understanding of the basic principles of computational toxicology and the current methods of predictive toxicology using chemical structures, toxicity-related databases, in silico chemical-protein docking, and biological pathway tools. The book begins with an introduction to systems pharmacology and toxicology and computational tools followed by a section exploring modelling adverse outcomes and events. The second part of the book covers the discovery of protein targets and the characterisation of toxicant-protein interactions. Final chapters include case studies and additionally discuss interactions between phytochemicals and Western therapeutics. This book will be useful for scientists involved in environmental research and risk assessment. It will be a valuable resource for postgraduate students and researchers wishing to learn about key methods used in studying biological targets both from a toxicity and pharmacological activity standpoint.

Advances in Toxicology and Risk Assessment of Nanomaterials and Emerging Contaminants

Author : Liang-Hong Guo
Publisher : Springer Nature
ISBN 13 : 9811691169
Total Pages : 375 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Advances in Toxicology and Risk Assessment of Nanomaterials and Emerging Contaminants by : Liang-Hong Guo

Download or read book Advances in Toxicology and Risk Assessment of Nanomaterials and Emerging Contaminants written by Liang-Hong Guo and published by Springer Nature. This book was released on 2022-03-11 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details the state-of-the-art methodological advances for delineating the toxicology and working mechanisms of nanomaterials, microplastics, fine aerosol particulates (PM2.5) as well as emerging organic pollutants. It also provides latest computational approaches for toxicity prediction and risk assessment of nanoscale materials which possess realistic chances to enter the environment and human organism. Written by leading scientists at the frontiers of environmental science and nanomedicine, this book is intended for both young researchers and experienced professionals working in the fields of environmental protection, human health and occupational safety, nanotechnology, material science and nanomedicine, as well as graduate students majoring in environmental and health sciences.