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Author: Agnieszka Gajewicz
Publisher: CRC Press
ISBN: 1000680886
Category : Medical
Languages : en
Pages : 570
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Book Description
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: Agnieszka Gajewicz
Publisher: CRC Press
ISBN: 1000680886
Category : Medical
Languages : en
Pages : 570
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Book Description
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: 1788012593
Category : Medical
Languages : en
Pages : 380
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Book Description
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.
Author: Vineet Kumar
Publisher: CRC Press
ISBN: 1351138197
Category : Medical
Languages : en
Pages : 703
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Book Description
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: 1482203928
Category : Medical
Languages : en
Pages : 502
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Book Description
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 in
Author: Tahmeena Khan, Saman Raza
Publisher: Bentham Science Publishers
ISBN: 9815196995
Category : Science
Languages : en
Pages : 233
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Book Description
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: El-Ghazali Talbi
Publisher: John Wiley & Sons
ISBN: 9780470191620
Category : Computers
Languages : en
Pages : 400
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Book Description
The only single, up-to-date source for Grid issues in bioinformatics and biology Bioinformatics is fast emerging as an important discipline for academic research and industrial applications, creating a need for the use of Grid computing techniques for large-scale distributed applications. This book successfully presents Grid algorithms and their real-world applications, provides details on modern and ongoing research, and explores software frameworks that integrate bioinformatics and computational biology. Additional coverage includes: * Bio-ontology and data mining * Data visualization * DNA assembly, clustering, and mapping * Molecular evolution and phylogeny * Gene expression and micro-arrays * Molecular modeling and simulation * Sequence search and alignment * Protein structure prediction * Grid infrastructure, middleware, and tools for bio data Grid Computing for Bioinformatics and Computational Biology is an indispensable resource for professionals in several research and development communities including bioinformatics, computational biology, Grid computing, data mining, and more. It also serves as an ideal textbook for undergraduate- and graduate-level courses in bioinformatics and Grid computing.
Author: Hemant Kumar Daima
Publisher: CRC Press
ISBN: 1000399915
Category : Medical
Languages : en
Pages : 495
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Book Description
The field of nanomedicine has risen quickly due to the increasing number of designer-made nanomaterials. These nanomaterials have the potential to manage diseases and change the way medicine is currently studied. However, the increased practice of using nanomaterials has shed light on how many concepts of nanomedicine and nanotoxicity have been overlooked. Nanotoxicology: Toxicity Evaluation of Nanomedicine Applications addresses the existing gaps between nanomedicine and nanotoxicity. This book also brings together up-to-date knowledge on advances toward safe-by-design nanomaterials and existing toxicity challenges. This book delivers a comprehensive coverage in the field with fundamental understanding, serving as a platform to convey essential concepts of nanotoxicology and how these concepts can be employed to develop advanced nanomaterials for a range of biomedical applications. This book is an effort to answer some of the thoughtful nanotoxicological complications and their auspicious probable solutions with new approaches and careful toxicity assessment. Key Features: Reveals novel nanoscale approaches, toxicity assessment, and biomedical applications Includes importance of nanotoxicity concepts in developing smart nanomaterials Highlights unique contributions and "A to Z" aspects on the state-of-the-art from global leaders Offers a complete package to learn fundamentals with recommendations on nanomaterials toxicity and safe-by-design nanomedicines Nanotoxicology: Toxicity Evaluation of Nanomedicine Applications illuminates the high potential of many innovative nanomaterials, ultimately demonstrating them to be promising substitutes for available therapies that can be effectively used in fighting a myriad of biomedical complications. Further, this book reports legal, ethical, safety, and regulatory issues associated with nanomaterials, which have often been neglected, if not overlooked in literature and limiting clinical translation at nanoscale level. It will equip readers with cutting-edge knowledge of promising developments in nanomedicine and nanotoxicology, along with potential future prospects.
Author: Bengt Fadeel
Publisher: CRC Press
ISBN: 9814463361
Category : Medical
Languages : en
Pages : 565
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Book Description
The rapidly evolving field of nanomedicine refers to the clinical application of nanotechnologies. However, as with all new technologies, there are ethical, safety, and regulatory issues. This handbook, written by leading international experts, provides a meticulous overview of the state of the art of safety assessment of nanomaterials (nanotoxicology) in the context of their application in nanomedicine. The volume includes a historical perspective on the development of nanomedicine and its regulation, and a personal view of the future of (nano)medicine by Patrick Hunziker, president of the European Society of Nanomedicine. Ethical considerations in relation to nanomedicine are discussed. There are a series of chapters on organ-specific toxicities of nanomaterials, including pulmonary and cardiovascular toxicity, neurotoxicity, dermatotoxicity, and reproductive toxicity, as well as a discussion on immunotoxicity and genotoxicity. The importance of a thorough characterization of physicochemical properties of nanomaterials is emphasized. The handbook also contains a critical discussion on the applicability of in vitro versus in vivo methods and models for nanosafety assessment, along with an introduction to mathematical modeling approaches with a view to a predictive toxicology of nanomaterials. The overall aim is to provide a comprehensive, science-based framework for safety assessment of current and future nanomedicines.
Author: Ahmed A. Elngar
Publisher: Academic Press
ISBN: 0128241764
Category : Science
Languages : en
Pages : 222
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Book Description
Applications of Computational Intelligence in Multi-Disciplinary Research provides the readers with a comprehensive handbook for applying the powerful principles, concepts, and algorithms of computational intelligence to a wide spectrum of research cases. The book covers the main approaches used in computational intelligence, including fuzzy logic, neural networks, evolutionary computation, learning theory, and probabilistic methods, all of which can be collectively viewed as soft computing. Other key approaches included are swarm intelligence and artificial immune systems. These approaches provide researchers with powerful tools for analysis and problem-solving when data is incomplete and when the problem under consideration is too complex for standard mathematics and the crisp logic approach of Boolean computing. - Provides an overview of the key methods of computational intelligence, including fuzzy logic, neural networks, evolutionary computation, learning theory, and probabilistic methods - Includes case studies and real-world examples of computational intelligence applied in a variety of research topics, including bioinformatics, biomedical engineering, big data analytics, information security, signal processing, machine learning, nanotechnology, and optimization techniques - Presents a thorough technical explanation on how computational intelligence is applied that is suitable for a wide range of multidisciplinary and interdisciplinary research
Author: Rishabha Malviya
Publisher: John Wiley & Sons
ISBN: 1394159315
Category : Science
Languages : en
Pages : 484
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Book Description
The first book of its kind to show the potential of quantum computing in drug delivery. Drug delivery systems (DDS) are defined as methods by which drugs are delivered to desired tissues, organs, cells, and subcellular organs for drug release and absorption through a variety of drug carriers. By controlling the precise level and/or location of a given drug in the body, side effects are reduced, doses are lowered, and new therapies are possible. Nevertheless, there are still significant obstacles to delivering certain medications to particular cells. Drug delivery methods change pharmacokinetic, pharmacodynamic, and drug release patterns to enhance product efficacy and safety, as well as patient convenience and compliance. Computational approaches in drug development enable quick screening of a vast chemical library and identification of possible binders by using modeling, simulation, and visualization tools. Quantum computing (QC) is a fundamentally new computing paradigm based on quantum mechanics rules that enables certain computations to be conducted significantly more rapidly and effectively than regular computing, and hence this has huge promise for the pharmaceutical sector. Significant advances in computational simulation are making it easier to comprehend the process of drug delivery. This book explores an important biophysical component of DDSs, and how computer modeling may help with the logical design of DDSs with enhanced and optimized characteristics. The book concentrates on computational research for various important types of nanocarriers, including dendrimers and dendrons, polymers, peptides, nucleic acids, lipids, carbon-based DDSs, and gold nanoparticles. Audience Researchers and industry scientists working in clinical research and disease management; pharmacists, formulation and pharmaceutical scientists working in R&D; computer science engineers applying deep learning and quantum computing in healthcare.
