bluuebunny/crossref_metadata_2025_split huggingface dataset:
Estimation of Physical Properties
Authors: Onken Ulfert , Fischer Kai , Rarey Jürgen , Kleiber Michael 
Published: January 2008

AbstractThe article contains sections titled:1.Introduction1.1.Scope1.2.Data Sources1.3.Theoretical and Empirical Methods2.Molecular and Macroscopic Properties2.1.Intermolecular Forces2.2.Theorem of Corresponding States2.3.Estimation of Critical Properties2.4.Other Characteristic Constants of Pure Compounds3.Thermal and Caloric Properties of Single‐Phase Systems3.1.Pressure–Volume–Temperature Behavior of Gases and Liquids3.1.1.Pure Gases3.1.2.Pure Liquids3.1.3.Mixtures3.1.3.1.Gas Mixtures3.1.3.2.Liquid Mixtures3.2.Caloric Properties3.2.1.Heat Capacity of Ideal Gases3.2.2.Heat Capacity of Pure Liquids3.2.3.Heat Capacity of Liquid Mixtures4.Phase Equilibria4.1.Pure Compounds4.1.1.Vapor Pressure, Boiling Point, and Melting Point4.1.2.Enthalpy of Vaporization4.2.Mixtures4.2.1.Vapor–Liquid Equilibria with Liquid‐Phase Activity Coefficients4.2.1.1.Basic Considerations4.2.1.2.Data Correlation: Binary and Multicomponent Mixtures of Nonelectrolytes4.2.1.3.Prediction of Equilibrium Data4.2.2.Vapor–Liquid and Gas–Liquid Equilibria with Equations of State4.2.2.1.Basic Considerations4.2.2.2.Data Correlation4.2.2.3.Prediction of Vapor‐Liquid and Gas‐Liquid Equilibria4.2.3.Liquid–Liquid Equilibria4.2.4.Solid–Liquid Equilibria5.Thermodynamic Data of Chemical Reactions5.1.Definitions5.1.1.Enthalpy of Reaction5.1.2.Gibbs Energy of Reaction and Chemical Equilibrium5.2.Group Contribution Methods for the Estimation of Enthalpy and Gibbs Energy of Formation5.3.Applications5.3.1.Enthalpy of Reaction5.3.2.Chemical Equilibrium6.Transport Properties of Pure Compounds and Mixtures6.1.Viscosity6.1.1.Viscosity of Pure Gases6.1.2.Viscosity of Gas Mixtures6.1.3.Viscosity of Pure Liquids6.1.4.Viscosity of Liquid Mixtures6.2.Thermal Conductivity6.2.1.Thermal Conductivity of Gases at Low Pressure6.2.2.Thermal Conductivity of Gases at High Pressure6.2.3.Thermal Conductivity of Gas Mixtures6.2.4.Thermal Conductivity of Liquids6.2.5.Thermal Conductivity of Liquid Mixtures6.3.Diffusion Coefficients6.3.1.Diffusion Coefficients of Gases at Low and Moderate Pressures6.3.2.Diffusion Coefficients of Liquids7.Surface Tension of Liquids7.1.Surface Tension of Pure Liquids7.2.Surface Tension of Liquid Mixtures
Reactive Distillation
Authors: Sakuth Michael , Reusch Dieter , Janowsky Ralf 
Published: January 2008

AbstractThe article contains sections titled:1.Introduction2.Mathematical Modeling of Reactive Distillation Processes2.1.Equilibrium‐Based Models2.2.Rate‐Based Models3.Design of Reactive Distillation Processes3.1.Procedures for Process Design Studies3.2.Flow sheet for Process Development4.Industrial Applications4.1.Commercial Packing Structures4.2.Industrial Catalytic Distillation Processes
Concrete
Authors: Kropp Jörg 
Published: January 2008

Abstract

The article contains sections titled:

1.

Introduction

2.

Materials

2.1.

Cement

2.2.

Aggregates

2.3.

Water

2.4.

Admixtures

2.4.1.

Setting and Hardening Admixtures

2.4.2.

Workability Admixtures

2.4.3.

Porosity Admixtures

2.4.4.

Other Admixtures

2.4.5.

Fine‐grained Material and Polymers

3.

Production

3.1.

Definition of Concrete Properties

3.2.

Proportioning of Materials

3.3.

Production Process

4.

Fresh Concrete

4.1.

Workability

4.2.

Placement, Consolidation, and Finish

4.3.

Curing

4.4.

Special Methods

5.

Mechanical Properties

5.1.

Crack Development

5.2.

Strength

5.2.1.

Compressive Strength

5.2.2.

Tensile Strength

5.2.3.

Fracture Mechanics

5.3.

Deformation Characteristics

5.3.1.

Relationship of Stress to Strain

5.3.2.

Modulus of Elasticity and Poisson's Ratio

5.3.3.

Creep

5.3.4.

Shrinkage and Swelling

6.

Physical Properties

6.1.

Density

6.2.

Porosity

6.3.

Thermal Conductivity

6.4.

Electrical Conductivity

6.5.

Permeability

6.6.

Thermal Expansion

6.7.

Shielding Properties

7.

Durability

7.1.

Chemical Attack

7.2.

Physical Attack

7.3.

Corrosion of the Reinforcement

8.

Special Concretes

8.1.

Lightweight Concrete

8.2.

Heavyweight Concrete

8.3.

Massive Concrete

8.4.

Fiber‐Reinforced Concrete

8.5.

Polymer Concrete

9.

Mortar

Concrete is an artificial building material composed of granular aggregates embedded in a binder matrix of hydrated cement. Minor constituents can be added to improve the performance of concrete in the fresh or hardened state. Aside from plain concrete structures, concrete is reinforced with steel bars or prestressing steel tendons to withstand bending or tension forces. The assessment of environmental compatibility of cement in concrete or mortar considers all the phases of its life cycle. The mix design of concrete must take into account all requirements specified for the fresh and hardened concrete in a given application. Basic considerations as well as procedures are presented, test methods are described, and the properties of concrete are discussed. For the long‐term performance of concrete, the interactions with the environment by physical and chemical actions are discussed. Concluding sections deal with special types of concrete.
Bacteriorhodopsin, Chemistry of
Authors: Lanyi Janos K. 
Published: January 2008

Abstract
Thirty years of research with bacteriorhodopsin has provided answers to many questions about how protons are transported by transmembrane pumps. In this small seven‐transmembrane protein, absorption of light by the retinal chromophore initiates a reaction cycle in which the initial state recovers through multiple conformational changes of the retinal and the protein, and a proton is translocated stepwise from one side of the membrane to the other. Spectroscopy, extensive use of site‐specific mutations, and crystallography have defined the photocycle reactions in atomic detail and provide a step‐by‐step description of the proton transfers, the transient local and global perturbations in the protein and how they arise, and the energy flow through the system, which add up to the mechanism of the pump.
Nucleic Acid Enzymes (Ribozymes and Deoxyribozymes): In Vitro Selection and Application
Authors: Silverman Scott K. 
Published: January 2008

Abstract

Natural catalysts composed of RNA were discovered in the early 1980s. After this advance, it was logical to consider that artificial nucleic acid enzymes made from either RNA or DNA could be developed by recapitulating the basic evolutionary principles in the laboratory. In subsequent years, many artificial ribozymes and deoxyribozymes have indeed been identified by
in vitro
selection, and the scope of nucleic acid catalysis now encompasses a much wider range of chemical reactions than is found in nature. The study of artificial ribozymes and deoxyribozymes can provide fundamental insight into the functioning of natural catalytic nucleic acids. In addition, artificial nucleic acid enzymes are increasingly used in practical applications ranging from analytical chemistry to biology.
Enzyme Catalysis
Authors: Bommarius Andreas Sebastian , Riebel Bettina R. 
Published: January 2008

AbstractOrginally published in: Biocatalysis. Andreas Sebastian Bommarius and Bettina R. Riebel. Copyright © 2004 Wiley‐VCH Verlag GmbH & Co. KGaA Weinheim. Print ISBN: 3‐527‐30344‐1The sections in this article areIntroductionCharacterization of Enzyme CatalysisBasis of the Activity of Enzymes: What is Enzyme Catalysis?Enzyme Reaction in a Reaction Coordinate DiagramDevelopment of Enzyme Kinetics from Binding and CatalysisSources and Reasons for the Activity of Enzymes as CatalystsChronology of the Most Important Theories of Enzyme ActivityOrigin of Enzymatic Activity: Derivation of the Kurz EquationConsequences of the Kurz EquationEfficiency of Enzyme Catalysis: Beyond Pauling's PostulatePerformance Criteria for Catalysts, Processes, and Process RoutesBasic Performance Criteria for a Catalyst: Activity, Selectivity and Stability of EnzymesActivitySelectivityStabilityPerformance Criteria for the ProcessProduct Yield(Bio)catalyst Productivity(Bio)catalyst StabilityReactor ProductivityLinks between Enzyme Reaction Performance ParametersRate AccelerationRatio between Catalytic Constantkcatand Deactivation Rate ConstantkdRelationship between Deactivation Rate Constantkdand Total Turnover Number TTNPerformance Criteria for Process Schemes, Atom Economy, and Environmental Quotient
Catechol‐O‐methyltransferase Val158Met polymorphism is associated with methylphenidate response in ADHD children
Authors: Kereszturi Eva , Tarnok Zsanett , Bognar Emese , Lakatos Krisztina , Farkas Luca , Gadoros Julia , Sasvari‐Szekely Maria , Nemoda Zsofia 
Published: January 2008

AbstractMethylphenidate is the most frequently prescribed drug in the treatment of attention deficit hyperactivity disorder (ADHD) but it is not effective in every case. Therefore, identifying genetic and/or biological markers predicting drug‐response is increasingly important. Here we present a case‐control study and pharmacogenetic association analyses in ADHD investigating three dopaminergic polymorphisms. Previous studies suggested variable number of tandem repeats (VNTR) in the dopamine D4 receptor (DRD4) and the dopamine transporter (DAT1) genes as genetic risk factors for ADHD and as possible markers of methylphenidate response. Our results did not indicate substantial involvement of these two VNTRs in ADHD, however, both the case‐control and the pharmacogenetic analyses showed significant role of the high activity Val‐allele of cathecol‐O‐methyltransferase (COMT) Val158Met polymorphism in our ADHD population. The Val‐allele was more frequent in the ADHD group (n = 173) compared to the healthy population (P = 0.016). The categorical analysis of 90 responders versus 32 non‐responders showed an association between the Val‐allele or Val/Val genotype and good methylphenidate response (P = 0.009 and P = 0.034, respectively). Analyzing symptom severity as a continuous trait, significant interaction of COMT genotype and methylphenidate was found on the Hyperactivity‐Impulsivity scale (P = 0.044). Symptom severity scores of all three genotype groups decreased following methylphenidate administration (P < 0.001), however Val/Val homozygote children had significantly less severe symptoms than those with Met/Met genotype after treatment (P = 0.015). This interaction might reflect the regulatory effect of COMT dominated prefrontal dopamine transmission on subcortical dopamine systems, which are the actual site of methylphenidate action. © 2008 Wiley‐Liss, Inc.
Synthesis and characterization of some diorganotin(IV) complexes of Schiff bases derived from a non‐protein amino acid. Crystal structures of {HO2CC6H4[NC(H)}{C(CH3)CH(CH3)‐3‐OH]‐p} and its di‐n‐butyltin(IV) complex (nBu2Sn{O2CC6H4[NC(H)}{C(CH3)CH(CH3)‐3‐OH]‐p}2)
Authors: Basu Baul Tushar S. , Masharing Cheerfulman , Basu Smita , Pettinari Claudio , Rivarola Eleonora , Chantrapromma Suchada , Fun Hoong‐Kun 
Published: January 2008

AbstractDiorganotin(IV) complexes R2Sn(LH)2 (R = Me, nBu) and {[nBu2Sn(LH)]2O}2 (LH = 4‐[(2Z)‐(3‐hydroxy‐1‐methyl‐2‐butenylidene)amino]benzoate and 4‐[{(E)‐1‐(2‐hydroxyphenyl)methylidene}mino]benzoate) have been reported. The complexes were characterized by elemental analysis, IR, NMR (1H, 13C, 119Sn) and 119mSn Mössbauer spectroscopy. Crystal structures of a ligand {HO2CC6H4[NC(H)}{C(CH3)CH(CH3)‐3‐OH]‐p} and one of its di‐n‐butyltin(IV) complexes (nBu2Sn{O2CC6H4[NC(H)}{C(CH3)CH(CH3)‐3‐OH]‐p}2) were determined. The spectroscopic data suggest that R2Sn(LH)2 complexes have skew‐trapezoidal bipyramidal structure while {[nBu2Sn(LH)]2O}2 complexes adopt a dimeric tetraorganodistannoxane structure in the solid state and undergo complex exchange processes in deuterochloroform solution, as revealed by 119Sn NMR spectroscopy. Copyright © 2008 John Wiley & Sons, Ltd.
Suzuki cross‐coupling reaction of aryl and heterocyclic bromides and aromatic polybromides on a Pd(II)‐hydrotalcite catalyst
Authors: Mora Manuel , Jiménez‐Sanchidrián César , Ruiz José Rafael 
Published: January 2008

AbstractThe Suzuki cross‐coupling reaction of various bromine‐containing substrates and phenylboronic acid in toluene at 90 °C on a Pd(AcO)2Py2 catalyst supported on an MgAl hydrotalcite, using K2CO3 as the base, was studied. The conversion and selectivity results obtained for many of the substrates were excellent and similar to those provided by more active or even homogeneous catalysts. The reactions of aryl polybromides and phenylboronic acid gave the corresponding polyaromatic compounds in variable yields depending on the particular substrate. Arylation occurred in a consecutive manner by substitution of the different Br atoms. ICP‐MS measurements of the palladium content of the catalyst performed prior to and after the reaction revealed that part of the metal is incorporated into the bulk solution; therefore, the catalytic process is not purely heterogeneous. Copyright © 2008 John Wiley & Sons, Ltd.
Stereospecific synthesis of a family of novel (E)‐2‐aryl‐1‐silylalka‐1,4‐dienes or (E)‐4‐aryl‐5‐silylpenta‐1,2,4‐trienes via a cross‐coupling of (Z)‐silyl(stannyl)ethenes with allyl halides or propargyl bromide
Authors: Sasaki Fumio , Endo Takanori , Noguchi Masanori , Kawai Kenji , Nakano Taichi 
Published: January 2008

AbstractStereospecific synthesis of a family of novel (E)‐2‐aryl‐1‐silylalka‐1,4‐dienes or (E)‐4‐aryl‐5‐silylpenta‐1,2,4‐trienes via a cross‐coupling of (Z)‐silyl(stannyl)ethenes with allyl halides or propargyl bromide is described. In the reaction with allyl bromide, either a Pd(dba)2CuI combination (dba, dibenzylideneacetone) in DMF or copper(I) iodide in DMSO–THF readily catalyzes or mediates the coupling reaction of (Z)‐silyl(stannyl)ethenes at room temperature, producing novel vinylsilanes bearing an allyl group β to silicon with cis‐disposition in good yields. Allyl chlorides as halides can be used in the CuI‐mediated reaction. CuI alone much more effectively mediates the cross‐coupling reaction with propargyl bromide in DMSO–THF at room temperature compared with a Pd(dba)2CuI combination catalysis in DMF, providing novel stereodefined vinylsilanes bearing an allenyl group β to silicon with cis‐disposition in good yields. Copyright © 2008 John Wiley & Sons, Ltd.
Effect of hydrodynamics, interface capillarity and molecular kinetics on wetting and de‐wetting on small cylindrical surfaces
Authors: Karakashev Stoyan I. , Nguyen Anh V. 
Published: January 2008

AbstractWetting and de‐wetting phenomena control many natural and industrial processes. Both statics and dynamics of wetting and de‐wetting are still a subject of intensive research. This article presents a novel modelling approach combined with experimental validation for the wetting and de‐wetting processes taking place on small cylindrical surfaces, such as wires being vertically withdrawn from a pool of liquid under steady flow conditions and slow withdrawal velocity. In particular, both the contact hydrodynamics and interface molecular kinetics are combined to predict the gas‐liquid interface deformation, the dynamic contact angle, and the moving contact line. The nonlinear equations governing the meniscus deformation and molecular kinetics at the moving surface are numerically solved. The outcome of this study is directly relevant to a number of industrial applications, including metallurgical coating of wires. Copyright © 2008 Curtin University of Technology and John Wiley & Sons, Ltd.
Effect of solvent induced hydroxylation of cyanoethyl group on dye uptake of cotton fabrics
Authors: Subha A. Selva , Thambidurai S. 
Published: January 2008

AbstractThe present investigation deals with the dyeing behavior of solvent induced cyanoethylated cotton fabric. The modified cotton fabric was dyed by conventional method with commercial reactive dye (Drimarene Red). It is observed that acetone induced cyanoethylated samples exhibit higher color values than ethanol treated samples. The effect of nitrogen content on the dye uptake of modified fabric is assessed which shows a good correlation between them. It is obvious that crystallinity has a noticeable effect on the dye uptake of both solvent modified fabrics. For convenience and comparison, a set of samples are also dyed without addition of salt, alkali, and both. It is evident that even without addition of salt, alkali and both the samples exhibit a significant dye uptake. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Fibroin membrane preparation and stabilization by polyethylene glycol diglycidyl ether
Authors: Moonsri Piyarut , Watanesk Ruangsri , Watanesk Surasak , Niamsup Hataichanoke , Deming Richard L. 
Published: January 2008

AbstractMembranes prepared by drying aqueous Bombyx mori silk fibroin (SF) solution and modified silk fibroin (MSF) solutions, prepared by adding the low molecular weight crosslinking agent, polyethylene glycol diglycidyl ether (PEGDE) MW 526, 0–10% w/w, were investigated by Scanning Electron Microscopy (SEM), Fourier Transform Infrared (FTIR) spectroscopy, and UV–vis spectroscopy. Weight gain in aqueous solutions and their mechanical properties (tensile strength, elongation, and Young's modulus) were then characterized. SEM measurements revealed greater porosity in MSF membranes. IR spectra showed transformation from the largely α‐helical/random coil structures in SF membranes to predominantly β‐sheet in MSF membranes. Results from UV–vis spectroscopy showed that the MSF membranes were largely insoluble within the pH range of 4–10. Water absorbability of the MSF membranes improved with increasing the amounts of cross‐linker, up to 4%. The MSF membranes showed greater pliability and tenacity, but lower tensile strength, with increasing PEGDE concentrations. In the wet condition, PEGDE levels up to 4% can improve both tensile strength and tenacity of the MSF membrane, but higher levels (up to 10%) did not significantly change these properties. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Solubility and diffusivity measurements in nitrogen–poly(vinyl acetate) and nitrogen–toluene–poly(vinyl acetate) systems with the differential pressure decay technique
Authors: Pourdarvish Reza , Danner Ronald P. , Duda J. Larry 
Published: January 2008

AbstractIn creating thin films of polymers by solution processing, a common problem is the undesirable formation of bubbles during the drying process. Practical experience shows that bubbles can be created well below the boiling point of the solvent. Also, it has been observed that the degassing of the polymer solutions results in reduced bubble formation, and this indicates a relationship between the presence of air and bubble formation. This work is based on the hypothesis that if the solubility of air in the polymer solution increases with the solvent concentration, then the solution can become supersaturated with air as the concentration of the solvent is reduced during the drying process. To test this hypothesis, knowledge of the thermodynamics of the mixture is required. This study concentrated on the system of poly(vinyl acetate), toluene, and nitrogen. A thermodynamic model to predict phase behavior of this system was developed. The solubility of nitrogen in poly(vinyl acetate) and poly(vinyl acetate)–toluene as a function of the toluene composition over wide ranges of temperatures and pressures was measured with the pressure decay technique. The group‐contribution lattice–fluid equation of state was employed to correlate the thermodynamic behavior of the binary and ternary systems. In addition, experiments were conducted to measure the diffusion coefficients of the nitrogen in poly(vinyl acetate). © 2008 Wiley Periodicals, Inc. J Appl Polym Sci 2008
A formaldehyde‐free flame retardant wood particleboard system based on two‐component polyurethane adhesive
Authors: Tang Yong , Wang De‐Yi , Jing Xin‐Ke , Ge Xin‐Guo , Yang Bing , Wang Yu‐Zhong 
Published: January 2008

AbstractTo address the problem of formaldehyde‐free flame retardation of wood particleboard, a novel phosphorus‐containing compound, di(2,2‐dimethyl‐1,3‐propanediol phosphate) urea (DDPPU) was synthesized. DDPPU was used as flame retardant for wood particleboard. The flammability of treated wood particleboard systems consisted of wood particles, polyurethane (PU) adhesive, and different flame retardant formulations were investigated by limiting oxygen index (LOI). The results of LOI indicate that DDPPU could improve the flame retardancy of wood particleboard. However, when H3BO3 was used as the second flame retardant component and combined with DDPPU, the flame retardant wood particleboard could obtain the highest LOI value (46.0) in these experiments. Thermogravimetric analysis shows that treated wood particleboard can decrease the initial decomposition temperature, and that at higher temperatures the degradation rate are lower than the untreated wood particleboard. Furthermore, wood particleboard treated with DDPPU/H3BO3 has a higher yield of residue char at 600°C than that treated with other flame retardant systems. The ability of char formation of these samples agrees with the order of LOI values. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Side‐chain copolymers containing smectic monomer and chiral reagent—Synthesis and characterization
Authors: He Xiao‐Zhi , Zhang Bao‐Yan , Hu Jian‐She , Yao Dan‐Shu , Hu Zeng‐Fu 
Published: January 2008

AbstractA series of new chiral side‐chain liquid‐crystalline polymers were prepared containing smectic‐nematic monomer and nonmesogenic chiral monomer. All polymers were synthesized by graft polymerization using polymethylhydrosiloxane as backbone. The mesomorphic properties were investigated by differential scanning calorimetry, polarizing optical microscopy, thermogravimetric analyses, and X‐ray diffraction measurements. The chemical structures of the monomers and polymers obtained were confirmed by Fourier transform infrared, proton nuclear magnetic resonance spectra (1H NMR). M1 showed smectic (SB, SC) and nematic phase on the heating and the cooling cycle. Polymers P0–P2 were in chiral smectic A phase, while P3–P5 were in cholesteric phase, P6 has bad LC properties, and P7 has no LC properties. Experimental results demonstrated that nonmesogenic chiral moiety and LC mesogenic with long carbochain offered the possibility of application because of its lower glass transition temperature, and the glass transition temperatures and isotropization temperatures and the ranges of the mesophase temperature reduced with increasing the contents of chiral agent. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Morphology and thermal properties of liquid crystal p‐PAEB/n‐propyl methacrylate copolymers
Authors: Gao Jungang , Wang Yong , Hou Guixiang , Liu Guodong 
Published: January 2008

AbstractThe copolymers of p‐phenylene di{4‐[2‐(allyloxy) ethoxy]benzoate} (p‐PAEB) with n‐propyl methacrylate (PMA) were synthesized. The liquid crystalline behavior and thermal properties of copolymers were studied by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), X‐ray diffractometer (XRD), and torsional braid analysis (TBA). The results of XRD, POM, and DSC demonstrate that the phase texture of copolymers is affected by the composition of liquid crystal units in copolymers. The POM and XRD reveal that liquid crystal monomer (p‐PAEB) and copolymers of p‐PAEB with PMA are all smectic phase texture. The dynamic mechanical properties of copolymers are investigated with TBA. The results indicate that the phase transition temperatures and dynamic mechanical loss peak temperature Tp of copolymers are affected by the composition of copolymers and liquid crystal cross networks. The maximal mechanical loss Tp is 114°C and is decreased with added PMA. The behaviors of phase transition are affected by the crosslinking density, and it is revisable for lightly crosslinking LC polymer networks, but it is nonreversible for the densely crosslinking of LC polymer networks. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008