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Molecular Dynamics And Structure Of Some Aqueous Amphiphilic Systems Studied By Nmr Methods
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Book Synopsis Molecular Dynamics and Structure of Some Aqueous Amphiphilic Systems Studied by NMR Methods by : Ulf Henriksson
Download or read book Molecular Dynamics and Structure of Some Aqueous Amphiphilic Systems Studied by NMR Methods written by Ulf Henriksson and published by . This book was released on 1975 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics and Structure of Some Aqueous Amphiplic Systems Studied by Nmr Methods by : U. Henriksson
Download or read book Molecular Dynamics and Structure of Some Aqueous Amphiplic Systems Studied by Nmr Methods written by U. Henriksson and published by . This book was released on 1975 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics and Organization in Aqueous Amphiphilic Systems Studied by NMR by : Olle Söderman
Download or read book Molecular Dynamics and Organization in Aqueous Amphiphilic Systems Studied by NMR written by Olle Söderman and published by . This book was released on 1982 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Napier, Philip written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The folder may include clippings, announcements, small exhibition catalogs, and other ephemeral items.
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2010-01-29 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on a breakthrough combination methodology, this handbook and ready reference is the first book to collect and present all facets of the important Car-Parrinello approach. Clearly divided into three sections, the text covers basic and advanced techniques, before finishing with applications. A must-have for all computational researchers and producers of pharmaceuticals and other complex molecules.
Book Synopsis Structure and Dynamics of Molecular Systems by : R. Daudel
Download or read book Structure and Dynamics of Molecular Systems written by R. Daudel and published by Springer Science & Business Media. This book was released on 1985-04-30 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.
Book Synopsis Structure and ordering in aqueous amphiphile systems studied by NMR by : Jan Ulmius
Download or read book Structure and ordering in aqueous amphiphile systems studied by NMR written by Jan Ulmius and published by . This book was released on 1978 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure and Dynamics of Solutions by : H. Ohtaki
Download or read book Structure and Dynamics of Solutions written by H. Ohtaki and published by Elsevier. This book was released on 2013-10-22 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria. It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase. The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.
Book Synopsis Nuclear Magnetic Resonance by : G A Webb
Download or read book Nuclear Magnetic Resonance written by G A Webb and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive coverage of the literature on this topic. For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an invaluable source of current methods and applications. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.
Download or read book National Union Catalog written by and published by . This book was released on 1983 with total page 1032 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes entries for maps and atlases.
Book Synopsis Molecular Dynamics Simulations of Amphiphilic Macromolecules at Interfaces by : Selina Nawaz
Download or read book Molecular Dynamics Simulations of Amphiphilic Macromolecules at Interfaces written by Selina Nawaz and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this thesis is to investigate the structural and thermodynamic properties of biologically and technological relevant macromolecules when placed at soft interfaces. In particular two amphiphilic macromolecules characterized by different topologies have been investigated namely amphiphilic dendrimers and linear block copolymers. This goal is achieved using a multiscale approach which includes all-atom, united atom and coarse grained models by means of molecular dynamic simulations. Amphiphilic dendrimers have shown to be promising building blocks for a range of interfacial materials and can be used in applications such as surface-base sensors or surface nanopatterning. In this part of the thesis by means of all-atom molecular dynamics simulations, we investigated the structure and stability of alkyl-modified polyamido-amide (PAMAM) dendrimers at the air/water interface as a function of the number and the relative position of the modified end groups. We found that the PAMAM dendrimer with all terminal groups functionalized is more stable at the interface than the Janus dendrimer, where only half the amine groups are modified. These results indicate that monolayers of fully functionalized molecules could be as stable as (or more stable than) those self-assembled from Janus molecules. The second part of the thesis is devoted to model a particular family of amphiphilic triblock copolymer sold as Pluronics, consisting of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO) arranged as PEO-PPO-PEO. There is evidence that this class of amphiphilic materials can be used for different biological applications. A fuller understanding of the molecular mechanisms underpinning their interactions with living cells is essential for ensuring the polymers safety and efficacy in biomedical applications. Using united-atom molecular dynamics simulations and membrane lysis assays, we investigated the relationship between the molecular conformations of a subset of the Pluronic copolymers (L31, L61, L62 and L64) and their haemolytic activity. Our computational studies suggest that the hydrophilic blocks in these copolymers interact with the polar head groups of lipid molecules, resulting in a predicted modification of the structure of the membranes. Parallel membrane lysis assays in human erythrocytes indicate differences in the rates of haemolysis, as a result of incubation with these polymers, which correlate well with the predicted interactions from the atomistic simulations. The computational data thus provide a putative mechanism to rationalize the available experimental data on membrane lysis by these copolymers. The data quantitatively agree with haemoglobin release endpoints measured when copolymers with the same molecular weight and structure as of those modelled are incubated with erythrocytes. The data further suggest some new structure- function relationships at the nanoscale that are likely to be of importance in determining the biological activity of these otherwise inert copolymers. In order to visualise the effect of Pluronics at a length and time scale closer to the experimental one, in the third part of the thesis we developed a coarse-grained model for the amphiphilic copolymers within the framework of the MARTINI forcefield (Marrink et al., J. Phys. Chem. B, 2007, 111, 7812). The MARTINI force field is usually parameterized targeting thermodynamic properties. In addition to this, we further parameterized it based on atomistic simulations validating the parameters against structural properties of the copolymers. The ability of the model to predict several structural and thermodynamic properties of the atomistic system have been explored. The aim of this work is to be able to simulate the polymer/lipid interface at polymer concentration similar to the experimental one.
Download or read book Nuclear Magnetic Resonance written by and published by Royal Society of Chemistry. This book was released on 2015-05-12 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of nuclear magnetic resonance span a wide range of scientific disciplines, from physics to medicine. This series has provided an essential digest of the NMR literature for more than four decades and each volume provides unrivalled coverage of the literature on this topic. Continuous coverage on some topics such as theoretical and physical aspects of nuclear shielding is balanced by the desire for coverage on newer topics like applications in biological systems and materials science. For those wanting to become rapidly acquainted with NMR or seasoned practitioners, this is an invaluable source of current methods and applications.
Book Synopsis Simulation Studies of Self-assembly and Phase Diagram of Amphiphilic Molecules by : Geuorgui Bourov
Download or read book Simulation Studies of Self-assembly and Phase Diagram of Amphiphilic Molecules written by Geuorgui Bourov and published by . This book was released on 2005 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: The phase diagrams of different amphiphilic molecular structures are investigated in separate simulations by employing the Gibbs Ensemble Monte Carlo method with an implemented configurational-bias technique. The computer simulations of the above mentioned amphiphilic systems are done in an area where physics, biology and chemistry are closely connected and advances in applications require the use of new theoretical, experimental and simulation methods for a better understanding of their self-assembling properties. Obtained simulation results demonstrate the connection between the structure of amphiphilic molecules and the properties of their thermodynamically stable aggregates and thus build a foundation for many applications of the remarkable phenomena of amphiphilic self-assembly in the area of nanotechnology.
Book Synopsis Assessing the Functional Structure of Molecular Transporters by EPR Spectroscopy by : Matthias J.N.Junk
Download or read book Assessing the Functional Structure of Molecular Transporters by EPR Spectroscopy written by Matthias J.N.Junk and published by Springer Science & Business Media. This book was released on 2012-01-05 with total page 225 pages. Available in PDF, EPUB and Kindle. Book excerpt: In his thesis, Matthias Junk takes an innovative approach to assess the local structure and dynamics of biological and synthetic amphiphilic macromolecules capable of transporting small molecules. Replacing the latter with stable radicals, he uses state-of-the-art electron paramagnetic resonance (EPR) spectroscopy to describe the highly relevant transport function from the viewpoint of the guest molecules. Such, he demonstrates that the functional structure of human serum albumin in solution significantly differs from its crystal structure – a consequence of the protein’s adaptability to host various endogenous compounds and drug molecules. Further, he shows that the thermal collapse of thermoresponsive hydrogels and dendronized polymers leads to static and dynamic heterogeneities on the nanoscale. These heterogeneities bear consequences for the material’s hosting properties and enable unforeseen complex catalytic functionalities.
Book Synopsis Liquid Interfaces In Chemical, Biological And Pharmaceutical Applications by : Alexander G. Volkov
Download or read book Liquid Interfaces In Chemical, Biological And Pharmaceutical Applications written by Alexander G. Volkov and published by CRC Press. This book was released on 2001-01-30 with total page 1070 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offers a comprehensive treatment of surface chemistry and its applications to chemical engineering, biology, and medicine. Focuses on the chmical and physical structure of oil-water interfaces and membrane surfaces. Details interfacial potentials, ion solvation, and electrostatic instabilities in double layers.
Book Synopsis Conjugated Polyelectrolytes by : Bin Liu
Download or read book Conjugated Polyelectrolytes written by Bin Liu and published by John Wiley & Sons. This book was released on 2013-08-07 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first monograph to specifically focus on fundamentals and applications of polyelectrolytes, a class of molecules that gained substantial interest due to their unique combination of properties. Combining both features of organic semiconductors and polyelectrolytes, they offer a broad field for fundamental research as well as applications to analytical chemistry, optical imaging, and opto-electronic devices. The initial chapters introduce readers to the synthesis, optical and electrical properties of various conjugated polyelectrolytes. This is followed by chapters on the applications of these materials in optical sensing and imaging with emphasis on biological systems, while the final section addresses the emerging applications of conjugated polyelectrolytes in optoelectronic devices, concluding with an in-depth discussion of structure-property relationship. The editors and contributors are all pioneers and experts in this expanding field. This monograph is not only for chemists, materials scientists, and physicists, but also a unique source of knowledge for readers with scientific background interested in polyelectrolytes.
Book Synopsis Non-equilibrium Molecular Dynamics Study of an Amphiphilic Model System by : Thomas Soddemann
Download or read book Non-equilibrium Molecular Dynamics Study of an Amphiphilic Model System written by Thomas Soddemann and published by . This book was released on 2000 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt:
