Download or read book Computer Simulations of Nanorods Interaction With Lipid Membrane written by Niraj Shrestha and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Analyzing the interaction between the lipid membranes and nanoparticles helps to determine beneficial and harmful effects of nanoparticles on cells. Since the point of entry of cells is their plasma membrane, interactions between nanorods and lipid membranes were studied using molecular dynamics simulations. The effect of nanorods on membrane morphology was investigated systematically as a function of nanorods interaction with the lipid membrane, their surface coverage and number surface density. Our results indicate that when adsorbed on the membrane, the nanorods may cluster into chains and may lead to strong membrane deformations due to curvature driven interaction between nanorods. At particular nanorod-lipid interaction, single nanorod internalizes into the membrane via endocytosis. This happens to minimize the energy cost due to high bending of the membrane. At high nanorods' density and large nanorods' size it was found that the nanorods lead to membrane lysis which can be attributed to high surface coverage of nanorods.
Download or read book Computational Modeling of Membrane Bilayers written by V. Sundararajan and published by Academic Press. This book was released on 2011-08-29 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts
Download or read book Computer Aided Pharmaceutics and Drug Delivery written by Vikas Anand Saharan and published by Springer Nature. This book was released on 2022-05-30 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.
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.
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 287 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 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 engineered nanoparticles, computational methods originally developed for regular (i.e., classic) chemicals cannot always be applied explicitly in nanotoxicology. Thus, the main idea of this book is to discuss the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. The book focuses on methodology. Among various in silico techniques, special attention is given to (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).
Download or read book Physics of Biological Membranes written by Patricia Bassereau and published by Springer. This book was released on 2018-12-30 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book mainly focuses on key aspects of biomembranes that have emerged over the past 15 years. It covers static and dynamic descriptions, as well as modeling for membrane organization and shape at the local and global (at the cell level) scale. It also discusses several new developments in non-equilibrium aspects that have not yet been covered elsewhere. Biological membranes are the seat of interactions between cells and the rest of the world, and internally, they are at the core of complex dynamic reorganizations and chemical reactions. Despite the long tradition of membrane research in biophysics, the physics of cell membranes as well as of biomimetic or synthetic membranes is a rapidly developing field. Though successful books have already been published on this topic over the past decades, none include the most recent advances. Additionally, in this domain, the traditional distinction between biological and physical approaches tends to blur. This book gathers the most recent advances in this area, and will benefit biologists and physicists alike.
Download or read book Multiscale Biomechanics and Tribology of Inorganic and Organic Systems written by Georg-Peter Ostermeyer and published by Springer Nature. This book was released on 2020-11-23 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book gathers authoritative contributions concerning multiscale problems in biomechanics, geomechanics, materials science and tribology. It is written in memory of Sergey Grigorievich Psakhie to feature various aspects of his multifaceted research interests, ranging from theoretical physics, computer modeling of materials and material characterization at the atomic scale, to applications in space industry, medicine and geotectonics, and including organizational, psychological and philosophical aspects of scientific research and teaching as well. This book covers new advances relating to orthopedic implants, concerning the physiological, tribological and materials aspects of their behavior; medical and geological applications of permeable fluid-saturated materials; earthquake dynamics together with aspects relating to their managed and gentle release; lubrication, wear and material transfer in natural and artificial joints; material research in manufacturing processes; hard-soft matter interaction, including adhesive and capillary effects; using nanostructures for influencing living cells and for cancer treatment; manufacturing of surfaces with desired properties; self-organization of hierarchical structures during plastic deformation and thermal treatment; mechanics of composites and coatings; and many more. Covering established knowledge as well as new models and methods, this book provides readers with a comprehensive overview of the field, yet also with extensive details on each single topic.
Download or read book Biomembrane Simulations written by Max L. Berkowitz and published by CRC Press. This book was released on 2019-04-30 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.
Download or read book Advances in Biomembranes and Lipid Self Assembly written by and published by Elsevier. This book was released on 2023-12-01 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Biomembranes and Lipid Self-Assembly, Volume 38 in this updated series, highlights new advances in the field, with this new volume presenting interesting chapters on Interaction of inorganic debris particles with cells, Interactions between biomembrane embedded nanoparticles mediated by lipid bilayer, Topological defect driven nanoparticle assemblies, and more. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Biomembranes and Lipid Self-Assembly - Updated release includes the latest information on the Interaction of inorganic debris particles with cells, Interactions between biomembrane embedded nanoparticles mediated by lipid bilayer, and more
Download or read book Molecular Dynamics and Machine Learning in Drug Discovery written by Sergio Decherchi and published by Frontiers Media SA. This book was released on 2021-06-08 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
Download or read book High Performance Computing in Science and Engineering 22 written by Wolfgang E. Nagel and published by Springer Nature. This book was released on with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modeling of Nanotoxicity written by Ruhong Zhou and published by Springer. This book was released on 2015-09-04 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of the fundamentals of nanotoxicity modeling and its implications for the development of novel nanomedicines. It lays out the fundamentals of nanotoxicity modeling for an array of nanomaterial systems, ranging from carbon-based nanoparticles to noble metals, metal oxides, and quantum dots. The author illustrates how molecular (classical mechanics) and atomic (quantum mechanics) modeling approaches can be applied to bolster our understanding of many important aspects of this critical nanotoxicity issue. Each chapter is organized by types of nanomaterials for practicality, making this an ideal book for senior undergraduate students, graduate students, and researchers in nanotechnology, chemistry, physics, molecular biology, and computer science. It is also of interest to academic and industry professionals who work on nanodrug delivery and related biomedical applications, and aids readers in their biocompatibility assessment efforts in the coming age of nanotechnology. This book also provides a critical assessment of advanced molecular modeling and other computational techniques to nanosafety, and highlights current and future biomedical applications of nanoparticles in relation to nanosafety.
Download or read book Modeling of Interactions Between Nanoparticles and Cell Membranes written by Young-Min Ban and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The hydrophobic interaction between the particles and membrane core induces the strong coupling between the nanoparticle motion and membrane deformation. It is observed that the considered nanoparticles affect several physical properties of the membrane. The nanoparticles embedded into the membrane interior lead to the membrane softening, which becomes more significant with increase in CNT length and concentration. The lateral pressure profile and membrane energy in the membrane containing the nanoparticles exhibit localized perturbation around the nanoparticle. The nanoparticles are not likely to affect membrane protein function by the weak perturbation of the internal stress in the membrane. Due to the short-ranged interactions between the nanoparticles, the nanoparticles would not form aggregates inside membranes. The effect of lipid peroxidation on cell membrane deformation is assessed. The peroxidized lipids introduce a perturbation to the internal structure of the membrane leading to higher amplitude of the membrane fluctuations. Higher concentration of the peroxidized lipids induces more significant perturbation. Cumulative effects of lipid peroxidation caused by nanoparticles are examined for the first time. The considered amphiphilic particle appears to reduce the perturbation of the membrane structure at its equilibrium position inside the peroxidized membrane. This suggests a possibility of antioxidant effect of the nanoparticle.
Download or read book The Giant Vesicle Book written by Rumiana Dimova and published by CRC Press. This book was released on 2019-11-19 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt: Giant vesicles are widely used as a model membrane system, both for basic biological systems and for their promising applications in the development of smart materials and cell mimetics, as well as in driving new technologies in synthetic biology and for the cosmetics and pharmaceutical industry. The reader is guided to use giant vesicles, from the formation of simple membrane platforms to advanced membrane and cell system models. It also includes fundamentals for understanding lipid or polymer membrane structure, properties and behavior. Every chapter includes ideas for further applications and discussions on the implications of the observed phenomena towards understanding membrane-related processes. The Giant Vesicle Book is meant to be a road companion, a trusted guide for those making their first steps in this field as well as a source of information required by experts. Key Features • A complete summary of the field, covering fundamental concepts, practical methods, core theory, and the most promising applications • A start-up package of theoretical and experimental information for newcomers in the field • Extensive protocols for establishing the required preparations and assays • Tips and instructions for carefully performing and interpreting measurements with giant vesicles or for observing them, including pitfalls • Approaches developed for investigating giant vesicles as well as brief overviews of previous studies implementing the described techniques • Handy tables with data and structures for ready reference
Download or read book Biomembrane Simulations written by Max L. Berkowitz and published by CRC Press. This book was released on 2019-04-30 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.
Download or read book Self Assembling Systems written by Li-Tang Yan and published by John Wiley & Sons. This book was released on 2016-12-19 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides comprehensive knowledge on concepts, theoretical methods and state-of-the-art computational techniques for the simulation of self-assembling systems Looks at the field of self-assembly from a theoretical perspective Highlights the importance of theoretical studies and tailored computer simulations to support the design of new self-assembling materials with useful properties Divided into three parts covering the basic principles of self-assembly, methodology, and emerging topics
Download or read book Handbook of Biomaterials Biocompatibility written by Masoud Mozafari and published by Woodhead Publishing. This book was released on 2020-06-17 with total page 759 pages. Available in PDF, EPUB and Kindle. Book excerpt: Handbook of Biomaterials Biocompatibility is a systematic reference on host response to different biomaterials, taking into account their physical, mechanical and chemical properties. The book reviews recent progress in the design and study of biomaterials biocompatibility, along with current understanding on how to control immune system response. Sections provide the fundamental theories and challenges of biomaterials biocompatibility, the role of different biomaterials physicochemical surface properties on cell responses, cell responses to different physicochemical properties of polymers, ceramics, metals, carbons and nanomaterials, and biomaterials in different tissues, such as the cardiac, nervous system, cartilage and bone. This resource will be suitable for those working in the fields of materials science, regenerative engineering, medicine, medical devices and nanotechnology. - Reviews the fundamental theories and challenges of biomaterials biocompatibility, including an overview of the standards and regulations - Provides an overview on the cellular and molecular mechanisms involved in host responses to biomaterials - Systematically looks at cellular response and tissue response to a wide range of biomaterials, including polymers, metals, ceramics, alloys and nanomaterials
