Keywords:
Chemistry -- Research.
;
Electronic books.
Description / Table of Contents:
This new book presents original research results on the leading edge of chemistry research. Each article has been carefully selected in an attempt to present substantial research results across a broad spectrum. Topics discussed include a systematic ab-initio study of electronic and vibrational properties of beryllium-vi polymorphs and their corresponding ground state and excited states using maximally-localized wannier functions; advances in spectroscopic investigations of riboflavin in aqueous solutions and milk; preservative and antitoxigenic activities of phenolic compounds; viscoelastic properties and structure of abs polymers; the study of anticoagulant properties of leucine and combined activities of its complexes with high - molecular - weight heparin; dyes in water; organometallic nanostructures; and experimental measurement and thermodynamic modeling.
Type of Medium:
Online Resource
Pages:
1 online resource (261 pages)
Edition:
1st ed.
ISBN:
9781634632409
Series Statement:
Advances in Chemistry Research (Not on Cover)
URL:
https://ebookcentral.proquest.com/lib/geomar/detail.action?docID=2096637
DDC:
540
Language:
English
Note:
Intro -- ADVANCES IN CHEMISTRY RESEARCH. VOLUME 23 -- Library of Congress Cataloging-in-Publication Data -- Contents -- Preface -- Chapter 1: A Systematic Ab-Initio Study of Electronic and Vibrational Properties of Beryllium-VI Polymorphs and Their Corresponding Ground State and Excited States Using Maximally-Localized Wannier Functions -- 1Department of Materials Science and Engineering, -- University of Arizona, Tucson, Arizona, US -- 2Department of Physics and Astronomy, College of -- Science, King Saud University, Riyadh, King Saudi Arabia -- 3Department of Physics, National Taiwan University, Taipei, Taiwan -- Abstract -- 1. Introduction -- 2. Numerical Methodology -- 2.1. Ground-State Properties -- 2.2. Excited-State Properties -- 2.3. Vibrational Properties -- 2.4. Polaron Transport Properties Using Wannier Functions -- 2.5. Macroscopic Calculations -- 3. Computational of Physical Properties -- of BeTe, BeSe and BeS Compounds -- 3.1. Lattice Parameters, Elastic Constants and Bulk Moduli -- 3.2. Fundamental Band Gaps -- 3.3. Structural and Vibrational Properties -- 3.4. Wannier Representation and Polaron Transport Quantities -- 3.5. Polaron Transport Properties Using LDA-1/2 Scheme -- Conclusion -- References -- Chapter 2: Advances in Spectroscopic Investigations of Riboflavin in Aqueous Solutions and Milk -- Chapter 3: Preservative and Antitoxigenic Activities of Phenolic Compounds: Usefulness in Prevention of Microbial Spoilage and Toxin Contamination oF Food Products -- Abstract -- Introduction -- Contaminating Bacteria of Food That Produce Human Diseases or Food Spoilage -- Phytochemicals with Biological Activities -- Edible Sources of Phenolic Compounds and Their Antibacterial Activity -- Mycotoxigenic Fungi and Their Control -- Native Plants from Northwest Argentina as Source of Bioactive Phenolic Compounds -- Conclusion.
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References -- Chapter 4: Viscoelastic Properties and Structure of ABS Polymers -- Abstract -- 1. Introduction -- 2. Shear Viscosity -- 2.1. Introduction -- 2.2. Flow Curves -- 2.3. Time-Temperature Superposition -- 2.4. Yield Stress -- 3. Linear Viscoelasticity -- 3.1. Introduction -- 3.2. Characteristic Features -- 4. Relation between Viscoelasticity and Structure -- 4.1. Introduction -- 4.2. Effect of Composition of Grafted SAN -- 4.3. Effect of Grafting Degree -- 5. Effect of Rubber Particle Size -- 5.1. Introduction -- 5.2. Materials -- 5.3. Linear Viscoelasticity -- 5.4. Shear Viscosity -- 6. Nonlinear Stress Relaxation -- 6.1. Introduction -- 6.2. Materials and Linear Viscoelasticity -- 6.4. Damping Function -- 6.5. Relaxation Time of SAN Chains -- 7. Extensional Rheology -- 7.1. Elongational Viscosity -- 7.2. Computer Simulation -- Conclusion -- References -- Chapter 5: Dyes in Water: Characteristics, Impacts to the Environment and Human Health, and the Removal Strategies -- Abstract -- Introduction -- Dyes: A General Overview -- Dyes in the Environment and Public Health -- Removal of Dyes from Water -- Chemical Treatment -- Biological Treatment -- Physical Treatment -- Conclusion -- References -- Chapter 6: Organometallic Nanostructures: Hydrogen Storage, Structure Stability and Kinetics -- Abstract -- 1. Introduction -- 1.2. Transition Metal-Decorated Ethylene Nanostructures and Ionization Induced Enhancement in Their Hydrogen Storage -- 1.2.1. C2H4:Sc Nanostructure -- 1.2.2. C2H4:Ti Nanostructure -- Vibrational Spectra and Equilibrium Isotopic Effect -- 1.2.3. Ti2:C2H4 and Ti2:C2H4+ complex -- 1.3. Hydrogen Adsorption on Transition Metal Decorated Carbon-Ring Template -- 1.3.1. Energy Decomposition -- 1.3.2. HOMO-LUMO Gap -- 1.4. Verification of DFT-Predicted Hydrogen Uptake of Complexes Using Dynamic Simulations.
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1.4.1. Ti2:C2H4 Complex -- 1.4.2. V:C3H3 Complex -- Conclusion -- Acknowledgments -- References -- Chapter 7: Liquid - Liquid Equilibrium for the Ternary System of {n-Hexane + Toluene + 1-Ethyl-3-Methylimidazolium Ethyl Sulfate}: Experimental Measurement and Thermodynamic Modeling -- Abstract -- Introduction -- Experimental -- Results and Discussion -- Experimental LLE Data -- Solute Distribution and Selectivity -- LLE Data Correlation -- Comparison of Experimental and Correlated Data -- Conclusion -- References -- Chapter 8: The Study of Anticoagulant Properties of Leucine and Combined Activities of Its Complexes with High - Molecular - Weight Heparin -- Abstract -- 1. Introduction -- 2. Methods and Materials -- 2.1. Method of the calculations of the Thermodynamic Models of Chemical Equilibria in the Solution that Imitated of the Blood Plasma -- 2.2. Method of the Calculations of the Thermodynamic Models of Chemical Equilibria in a Diluted Physiological Solution by pH Data -- 2.3. Method of Experimental pH Titration -- 2.4. Method of Experimental Analysis of Blood Coagulation -- 3. Results and Discussion -- 3.1. Method of the Calculations of the Thermodynamic Models of Chemical Equilibria in the Solution that Imitated of the Blood Plasma -- 3.2. Method of the Calculations of the Thermodynamic Models of Chemical Equilibria in a Diluted Physiological Solution by Ph Data -- 3.2. Method of Experimental Analysis of Blood Coagulation -- Conclusion -- References -- Index.
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