Computational Nanotoxicology

Author : Agnieszka Gajewicz
Publisher : CRC Press
ISBN 13 : 1000680886
Total Pages : 570 pages
Book Rating : 4.81/5 ( download)

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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.

Author : Alok Dhawan
Publisher : Royal Society of Chemistry
ISBN 13 : 178262158X
Total Pages : 380 pages
Book Rating : 4.84/5 ( download)

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Download or read book Nanotoxicology written by Alok Dhawan and published by Royal Society of Chemistry. This book was released on 2017-11-13 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book fills the significant nanotoxicology and nanosafety knowledge gaps and covers a broad range of topics. It targets postgraduates, academics, and practicing industrialists.

Author : Sean Ekins
Publisher : John Wiley & Sons
ISBN 13 : 1119282578
Total Pages : 432 pages
Book Rating : 4.70/5 ( download)

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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

Author : Tahmeena Khan, Saman Raza
Publisher : Bentham Science Publishers
ISBN 13 : 9815196995
Total Pages : 233 pages
Book Rating : 4.93/5 ( download)

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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.

Author : Jerzy Leszczynski
Publisher : Royal Society of Chemistry
ISBN 13 : 1849735476
Total Pages : 378 pages
Book Rating : 4.76/5 ( download)

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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 378 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.

Author : Vineet Kumar
Publisher : CRC Press
ISBN 13 : 1351138197
Total Pages : 684 pages
Book Rating : 4.92/5 ( download)

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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 684 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.

Author : Nancy A. Monteiro-Riviere
Publisher : CRC Press
ISBN 13 : 1482203871
Total Pages : 516 pages
Book Rating : 4.75/5 ( download)

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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.

Author : Huixiao Hong
Publisher : Springer
ISBN 13 : 3030164438
Total Pages : 412 pages
Book Rating : 4.30/5 ( download)

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Download or read book Advances in Computational Toxicology written by Huixiao Hong and published by Springer. This book was released on 2019-05-21 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in this field.

Author : Steve Gilbert
Publisher : Academic Press
ISBN 13 : 0128137258
Total Pages : 1055 pages
Book Rating : 4.53/5 ( download)

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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

Author : Roy, Kunal
Publisher : IGI Global
ISBN 13 : 1466681373
Total Pages : 727 pages
Book Rating : 4.78/5 ( download)

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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.