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Molecular Dynamics Simulations Of Nanoparticle Interactions
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Book Synopsis Soft Nanoparticles for Biomedical Applications by : José Callejas-Fernández
Download or read book Soft Nanoparticles for Biomedical Applications written by José Callejas-Fernández and published by Royal Society of Chemistry. This book was released on 2014-06-18 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles are attractive for many biomedical applications such as imaging, therapeutics and diagnostics. This new book looks at different soft nanoparticles and their current and potential uses in medicine and health including magnetoliposomes, micro/nanogels, polymeric micelles, DNA particles, dendrimers and bicelles. Each chapter provides a description of the synthesis of the particles and focus on the techniques used to characterize the size, shape, surface charge, internal structure, and surface microstructure of the nanoparticles together with modeling and simulation methods. By giving a strong physical-chemical approach to the topic, readers will gain a good background into the subject and an overview of recent developments. The multidisciplinary point of view makes the book suitable for postgraduate students and researchers in physics, chemistry, and biology interested in soft matter and its uses.
Book Synopsis High Performance Computing in Science and Engineering ' 18 by : Wolfgang E. Nagel
Download or read book High Performance Computing in Science and Engineering ' 18 written by Wolfgang E. Nagel and published by Springer. This book was released on 2019-06-07 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2018. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.
Book Synopsis NanoBioMaterials by : Bhupinder Singh
Download or read book NanoBioMaterials written by Bhupinder Singh and published by CRC Press. This book was released on 2018-06-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book volume presents a holistic view of the aspects of nanobiomaterials incl. their stellar merits and limitations, applications in diverse fields, their futuristic promise in the fields of biomedical science and drug delivery. The federal & regulatory issues on the usage of nanobiomaterials have been assigned due consideration.
Book Synopsis The Monte Carlo Method in Condensed Matter Physics by : Kurt Binder
Download or read book The Monte Carlo Method in Condensed Matter Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Monte Carlo method is now widely used and commonly accepted as an important and useful tool in solid state physics and related fields. It is broadly recognized that the technique of "computer simulation" is complementary to both analytical theory and experiment, and can significantly contribute to ad vancing the understanding of various scientific problems. Widespread applications of the Monte Carlo method to various fields of the statistical mechanics of condensed matter physics have already been reviewed in two previously published books, namely Monte Carlo Methods in Statistical Physics (Topics Curro Phys. , Vol. 7, 1st edn. 1979, 2ndedn. 1986) and Applications of the Monte Carlo Method in Statistical Physics (Topics Curro Phys. , Vol. 36, 1st edn. 1984, 2nd edn. 1987). Meanwhile the field has continued its rapid growth and expansion, and applications to new fields have appeared that were not treated at all in the above two books (e. g. studies of irreversible growth phenomena, cellular automata, interfaces, and quantum problems on lattices). Also, new methodic aspects have emerged, such as aspects of efficient use of vector com puters or parallel computers, more efficient analysis of simulated systems con figurations, and methods to reduce critical slowing down at i>hase transitions. Taken together with the extensive activity in certain traditional areas of research (simulation of classical and quantum fluids, of macromolecular materials, of spin glasses and quadrupolar glasses, etc.
Book Synopsis Protein-Nanoparticle Interactions by : Masoud Rahman
Download or read book Protein-Nanoparticle Interactions written by Masoud Rahman and published by Springer Science & Business Media. This book was released on 2013-06-24 with total page 95 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, the fabrication of nanomaterials and exploration of their properties have attracted the attention of various scientific disciplines such as biology, physics, chemistry, and engineering. Although nanoparticulate systems are of significant interest in various scientific and technological areas, there is little known about the safety of these nanoscale objects. It has now been established that the surfaces of nanoparticles are immediately covered by biomolecules (e.g. proteins, ions, and enzymes) upon their entrance into a biological medium. This interaction with the biological medium modulates the surface of the nanoparticles, conferring a “biological identity” to their surfaces (referred to as a “corona”), which determines the subsequent cellular/tissue responses. The new interface between the nanoparticles and the biological medium/proteins, called “bio-nano interface,” has been very rarely studied in detail to date, though the interest in this topic is rapidly growing. In this book, the importance of the physiochemical characteristics of nanoparticles for the properties of the protein corona is discussed in detail, followed by comprehensive descriptions of the methods for assessing the protein-nanoparticle interactions. The advantages and limitations of available corona evaluation methods (e.g. spectroscopy methods, mass spectrometry, nuclear magnetic resonance, electron microscopy, X-ray crystallography, and differential centrifugal sedimentation) are examined in detail, followed by a discussion of the possibilities for enhancing the current methods and a call for new techniques. Moreover, the advantages and disadvantages of protein-nanoparticle interaction phenomena are explored and discussed, with a focus on the biological impacts.
Download or read book Wax Deposition written by Zhenyu Huang and published by CRC Press. This book was released on 2016-03-09 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: Wax Deposition: Experimental Characterizations, Theoretical Modeling, and Field Practices covers the entire spectrum of knowledge on wax deposition. The book delivers a detailed description of the thermodynamic and transport theories for wax deposition modeling as well as a comprehensive review of laboratory testing for the establishment of appropr
Book Synopsis An Introduction to Tissue-Biomaterial Interactions by : Kay C. Dee
Download or read book An Introduction to Tissue-Biomaterial Interactions written by Kay C. Dee and published by John Wiley & Sons. This book was released on 2003-04-14 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to Tissue-Biomaterial Interactions acquaints an undergraduate audience with the fundamental biological processes that influence these sophisticated, cutting-edge procedures. Chapters one through three provide more detail about the molecular-level events that happen at the tissue-implant interface, while chapters four through ten explore selected material, biological, and physiological consequences of these events. The importance of the body’s wound-healing response is emphasized throughout. Specific topics covered include:Structure and properties of biomaterials Proteins Protein-surface interactions Blood-biomaterial interactions Inflammation and infection The immune system Biomaterial responses to implantation Biomaterial surface engineering Intimal hyperplasia and osseointegration as examples of tissue-biomaterial interactions The text also provides extensive coverage of the three pertinent interfaces between the body and the biomaterial, between the body and the living cells, and between the cells and the biomaterial that are critical in the development of tissue-engineered products that incorporate living cells within a biomaterial matrix. Ideal for a one-semester, biomedical engineering course, An Introduction to Tissue-Biomaterial Interactions provides a solid framework for understanding today’s and tomorrow’s implantable biomedical devices.
Book Synopsis Molecular Dynamics and Machine Learning in Drug Discovery by : Sergio Decherchi
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.
Book Synopsis Peptide Materials by : Carlos Aleman
Download or read book Peptide Materials written by Carlos Aleman and published by Wiley. This book was released on 2013-05-13 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Peptides are the building blocks of the natural world; with varied sequences and structures, they enrich materials producing more complex shapes, scaffolds and chemical properties with tailorable functionality. Essentially based on self-assembly and self-organization and mimicking the strategies that occur in Nature, peptide materials have been developed to accomplish certain functions such as the creation of specific secondary structures (a- or 310-helices, b-turns, b-sheets, coiled coils) or biocompatible surfaces with predetermined properties. They also play a key role in the generation of hybrid materials e.g. as peptide-inorganic biomineralized systems and peptide/polymer conjugates, producing smart materials for imaging, bioelectronics, biosensing and molecular recognition applications. Organized into four sections, the book covers the fundamentals of peptide materials, peptide nanostructures, peptide conjugates and hybrid nanomaterials, and applications with chapters including: Properties of peptide scaffolds in solution and on solid substrates Nanostructures, peptide assembly, and peptide nanostructure design Soft spherical structures obtained from amphiphilic peptides and peptide-polymer hybrids Functionalization of carbon nanotubes with peptides Adsorption of peptides on metal and oxide surfaces Peptide applications including tissue engineering, molecular switches, peptide drugs and drug delivery Peptide Materials: From Nanostructures to Applications gives a truly interdisciplinary review, and should appeal to graduate students and researchers in the fields of materials science, nanotechnology, biomedicine and engineering as well as researchers in biomaterials and bio-inspired smart materials.
Book Synopsis An Introduction to Molecular Dynamics by : Mark S. Kemp
Download or read book An Introduction to Molecular Dynamics written by Mark S. Kemp and published by Nova Science Publishers. This book was released on 2019 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt: "In the opening chapter of An Introduction to Molecular Dynamics, the method of statistical geometry, based on the construction of a Voronoi polyhedral, is applied to the pattern recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss the methodology of bimolecular simulations and their advancements, as well as their applications in the field of nanoparticle-biomolecular interactions. The theory of molecular dynamics simulation and some of the recent molecular dynamics methods such as steered molecular dynamics, umbrella sampling, and coarse-grained simulation are also discussed. The use of auxiliary programs in the cases of modified cyclodextrins is discussed. Additionally, results from molecular dynamics studies on cases of inclusion compounds of molecules of different sizes and shapes encapsulated in the same host cyclodextrin have been examined and compared. In closing, the authors discuss the methodology of molecular dynamics simulation with a non-constant force field. In the context of molecular simulations, the term "force field" refers to a set of equations and parameters for the calculation of forces acting on the particles of the system and its potential energy"--
Book Synopsis Molecular Dynamics Studies of Peptide, Nanoparticle, and Lipid Interactions Using Multiscale Simulations by : Hwan Kyu Lee
Download or read book Molecular Dynamics Studies of Peptide, Nanoparticle, and Lipid Interactions Using Multiscale Simulations written by Hwan Kyu Lee and published by . This book was released on 2006 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs by : Sumit Sharma
Download or read book Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs written by Sumit Sharma and published by Elsevier. This book was released on 2019-08-09 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. - Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs - Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites - Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems
Book Synopsis Adhesive Particle Flow by : Jeffery S. Marshall
Download or read book Adhesive Particle Flow written by Jeffery S. Marshall and published by Cambridge University Press. This book was released on 2014-03-31 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is targeted at professionals and graduate students working in disciplines where flow of adhesive particles plays a significant role.
Book Synopsis Chemical Modelling by : Michael Springborg
Download or read book Chemical Modelling written by Michael Springborg and published by Royal Society of Chemistry. This book was released on 2019-11-28 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, boron clusters, molecular modeling of inclusion complexes, modelling of circular dichroism for DNA and proteins, and the interface effect of nanocomposites as electrode materials for Li/Na ion batteries.
Book Synopsis Single-Chain Polymer Nanoparticles by : José A. Pomposo
Download or read book Single-Chain Polymer Nanoparticles written by José A. Pomposo and published by John Wiley & Sons. This book was released on 2017-08-18 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first book on this important and emerging topic presents an overview of the very latest results obtained in single-chain polymer nanoparticles obtained by folding synthetic single polymer chains, painting a complete picture from synthesis via characterization to everyday applications. The initial chapters describe the synthetics methods as well as the molecular simulation of these nanoparticles, while subsequent chapters discuss the analytical techniques that are applied to characterize them, including size and structural characterization as well as scattering techniques. The final chapters are then devoted to the practical applications in nanomedicine, sensing, catalysis and several other uses, concluding with a look at the future for such nanoparticles. Essential reading for polymer and materials scientists, materials engineers, biochemists as well as environmental chemists.
Book Synopsis Advanced Elastomers by : Anna Boczkowska
Download or read book Advanced Elastomers written by Anna Boczkowska and published by BoD – Books on Demand. This book was released on 2012-09-12 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an extensive overview of current trends in the area of elastomers and their composites from the chapters contributed by internationally recognized specialists. The book deals with novel synthesis, modelling and experimental methods in elastomers. Contents include: new approach to crosslinking, liquid crystal elastomers, nanocomposites, smart elastomers, elastomers in microelectronics and microfluidics, elastomers in cement concrete and mortar, experimental testing and modelling. Each section demonstrates how enhancements in materials, processes and characterization techniques can improve performance in the field of engineering. The book provides a unique opportunity to discover the latest research on elastomer advances from laboratories around the world. This book addresses to industrial and academic researchers in the fields of physical, chemical, biological sciences and engineering.
