Molecular structures

Part 1 of ebook "Experimental and theoretical advances in fluid dynamics" provides readers with contents including: invited lectures; flapping plate(s); sky dancer, a complex fluid-structure interaction; structure and translational diffusion in liquid crystalline phases of a gay-berne mesogen, a molecular dynamics study; geophysics and astrophysics; linked toroidal vortices; remediation strategy for a Cr(VI) polluted aquifer using numerical simulation;...

245p tuongmothua 11-07-2024 0 0   Download

Part 1 of ebook "Timber: Structure, properties, conversion and use" provides readers with contents including: nomenclature of timbers; structure of wood; gross structure; cellular structure; molecular structure; variability in structure; identification of timbers; properties of wood - influence of structure; density of wood; moisture in wood; strength, elasticity and toughness of wood;...

137p mothoiphong 28-06-2024 2 1   Download

To elucidate these issues, a detailed study of the microstructure of amorphous V2O5 under pressure was needed. The spatial distributions of atoms, the link distributions and the geometrical distributions of the free volumes need to be fully investigated. The distribution of free volume in the amorphous V2O5 network also needs to be visualized. These are the main contents in this paper.

11p viambani 18-06-2024 2 1   Download

Crystalline structure of CaO-P2O5-SiO2 system at 3,000 K were investigated by molecular dynamic simulation. The models with different concentrations of P2O5 (5-40 mol%) were constructed by using Born-Mayer-Huggins potentials. The size of models was from 5,270-5,520 atoms. The local environment of elements and glassy-network structure were investigated in detail.

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The chapters are divided into 4 parts: Part I describes flagellar type III protein exports, assembly, and gene regulation in S.

318p vimeyers 29-05-2024 5 2   Download

This book is divided into five parts: Part I introduces molecular genetic methods to study bacterial nucleoids; Part II highlights the study of bacterial nucleoid with whole genome analysis method; Part III discusses molecular biology methods to study nucleoid structuring factors; Part IV looks at imaging bacterial nucleoid; and Part V explores biophysics of the bacterial nucleoid.

369p vimeyers 29-05-2024 1 1   Download

This textbook represents an attempt to present a relatively brief overview of Materials Science, the anticipated readership being students of structural and mechanical engineering. It is in two sections – the first characterising engineering materials, the second considering structure–property relationships. Emphasis is thus placed on the relationship between structure and properties of materials, starting with the concept of ‘structure’ at three levels - crystal structure, microstructure, and molecular structure.

269p zizaybay1103 29-05-2024 4 2   Download

Ebook "The plant cell wall: Methods and protocols" describes some of the methods which are currently applied to investigate the many aspects of the plant cell wall including its structure, biochemical composition, and metabolism, to name but a few. Each chapter is written by leading experts in cell wall research and is written with the aim that the protocol(s) can be carried out by someone without previous experience in that particular method or specifically in cell wall research.

319p dongmelo 27-05-2024 6 3   Download

Ebook "Dyneins: Structure, biology and disease" offers research on fundamental cellular processes to researchers and clinicians across developmental biology, cell biology, molecular biology, biophysics, biomedicine, genetics and medicine. Broad-based up-to-date resource for the dynein class of molecular motors.

641p dongmelo 27-05-2024 6 2   Download

Part 1 book "Advanced organic chemistry" includes contents: Chemical bonding and molecular structure; stereochemistry, conformation, and stereoselectivity; structural effects on stability and reactivity; nucleophilic substitution; polar addition and elimination reactions.

596p dianmotminh01 14-05-2024 2 0   Download

Part 1 book "Fundamentals of molecular virolog" includes contents: Introduction to virology, virus structure and assembly, virus classification - the world of viruses, virus entry, single stranded RNA bacteriophages, microviruses, bacteriophage T7, bacteriophage lambda, viruses of archaea, cucumber mosaic virus, picornaviruses, flaviviruses, togaviruses, coronaviruses,... and other contents.

264p dianmotminh01 14-05-2024 1 0   Download

A magnetic molecularly imprinted electrochemical sensor was developed for selective determination of sufentanil (SUF) based on carbon paste electrode (CPE) modified with methacrylic acid-ethylene glycol dimethacrylate-coated Fe3O4 nanoparticles (Fe3O4@MAA-EGDMA NPs). The structural properties, chemical structure, and electrochemical behaviors of the imprinted sensor were characterized by X-ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FT-IR), and square wave voltammetry (SWV), respectively.

14p dianmotminh02 03-05-2024 4 1   Download

The wave function regards like localized orbital locator, electron localized function, average localized ionization energy and non-covalent interaction are also examined as a means of theoretical evidence of the titled compound. The NBO calculations probe the intermolecular and intramolecular movement of charges, and additionally the molecule's stability. The ADMET properties are also considered for the compound with the assistance of Swiss ADMET online tool.

17p dianmotminh02 03-05-2024 1 1   Download

In this research paper we report the detailed synthesis, spectral (1H-NMR, FT-IR, and UV-Vis), crystal structure determination, DFT studies, and molecular modeling of 4-amino-3-mercapto-5-methyl-1,2,4-triazole (L2) Schiff base ligand and its complexes of cadmium as suitable bioactive agents for the treatment of malaria. From the spectroscopic results, the synthesized Schiff base has potentialtridentate coordination with themetal ion via hydroxy naphthalinic-O, azomethine-N and sulphur atom of the thione group.

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This study revealed that the major contributing descriptors of 2D QSAR studies are DeltaEpsilonB and DeltaPsiA and 3D QSAR model proves the steric as well as electrostatic effects determine the binding affinity for the drug development. The results of the current computational studies are useful for further designing novel chemical entities of anti-microbial agent.

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This study focuses on examining the effect of the π bridge on the properties of the molecule. The structural parameters of the molecular geometry were optimized, the HOMO and LUMO energies were calculated and analyzed in detail. In addition, the absorption wavelength, excitation energy, vibration intensity and electron transfer were calculated through the time-dependent density functional theory (TD-DFT) method.

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Three chalcones with a 2,3-dihydrobenzofuran linkage were analyzed by applying the density functional theory (DFT) and B3LYP approach with the 6-311G(d,p) basis set in this report. Spectroscopic and theoretical analyses were used to examine the structures of these three chalcones. The chalcone molecules' HOMO-LUMO energy was determined. Chemical reactivity parameters and molecular electrostatic surface potential (MESP) plots were obtained to gain useful insight into the distribution of charge density.

11p dianmotminh02 03-05-2024 3 2   Download

In ebook "Myosins: A superfamily of molecular motors" the association of myosins with diseases including neurological disorders, immunodeficiencies, cardiomyopathies, hearing and vision loss testify to the importance of understanding the biochemical properties and cellular roles of myosins. The 16 chapters in this volume summarize the tremendous progress made in studying members of the myosin superfamily in recent years and offer critical insight into what future research will yield.

498p ladongphongthanh1008 22-04-2024 5 2   Download

Ebook "Topology in molecular biology: DNA and proteins" presents a class of new results in molecular biology for which topological methods and ideas are important. These include: the large-scale conformation properties of DNA; computational methods (Monte Carlo) allowing the simulation of large-scale properties of DNA; the tangle model of DNA recombination and other applications of Knot theory; dynamics of supercoiled DNA and biocatalitic properties of DNA; the structure of proteins; and other very recent problems in molecular biology.

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Ebook "DNA helicases and DNA motor proteins" is to provide the first systematic overview of structure, function and regulation of DNA helicases and related molecular motors. By integrating the knowledge obtained through the diverse technical approaches ranging from single-molecule biophysics to cellular and molecular biological studies the editors aim to provide a unified view on how helicases function in the cell, are regulated in response to different cellular stresses and are integrated into large macromolecular assemblies to form a complex and adaptive living system.

308p ladongphongthanh1008 22-04-2024 4 2   Download