Phase structure of silanol-modified ethylene-vinyl acetate copolymers

For (ethylene-vinyl acetate copolymer)-tetraethoxysilane and (ethylene-vinyl acetate copolymer)-polydimethylsiloxane systems, the solubility of components has been studied in a wide range of temperatures and compositions. Phase diagrams have been constructed, pair interaction parameters have been calculated, and diffusion coefficients and activation energies of diffusion have been estimated. The temperature and concentration ranges of a change in solubility related to chemical interactions between the components have been revealed, and the structure of the modified copolymers has been studied. On the basis of the kinetic data on the movement of isoconcentration planes in diffusion zones of component mixing, time intervals corresponding to the onset of the chemical reaction between the components have been determined and the apparent activation energies of the process have been computed. Complex-shaped binodal and boundary curves have been interpreted within the framework of the classical Flory-Huggins theory.     

Effect of infection withVerticillium dahliae on the bound and strongly bound lipids of cotton seeds of varieties with contrasting resistance

The lipids of the kernels of ripe cotton seeds of varieties resistant and susceptible to verticillium wilt have been determined. Intra- and intervariety changes in these indices for the infected plants have been revealed. Different directions of the post-infection changes in the lipids according to the degree of resistance of the variety to wilt have been shown. Differences have been observed both in healthy and in infected plants.     

MNDO study of reaction paths: Hydroboration of carbonyl systems

The hydroboration reactions of acetaldehyde and acetone have been investigated by the MNDO method. The reactions have been shown to be twostep reactions involving an intermediate adduct. This adduct subsequently undergoes hydrogen rearrangement. The hydroboration reactions of acetaldehyde and acetone have been compared with the corresponding reaction of formaldehyde. The charge transfer effects accompanying these reactions have also been discussed.     

Thermodynamic behavior of water-acetonitrile mixtures excess volumes and viscosities

Densities of water+acetonitrile mixture have been measured from 308.15 to 278.15 K over the entire composition range. Partial molal volumes of both components of the mixed system have been calculated and deviations from ideal volumes of mixing have been evaluated. Literature data on viscosity have also been treated by a least square method and activation thermodynamic functions of viscous flow computed. Structural correlations have been made with previous results on acid-base properties; they allow to distinguish several interaction regions between components of binary systems.     

Incorporation of Naphthalocyanine into Shells of Polyelectrolyte Capsules and Their Disruption under Laser Radiation

Different methods have been proposed for the incorporation of a dye, vanadyl tetra-5,14,23,32-phenyl-2,3-naphthalocyanine, into the shells of polyelectrolyte capsules. Capsule preparation conditions have been selected to provide efficient incorporation of the dye and stability of capsules to aggregation. A suspension of the capsules has been irradiated with lasers operating at wavelengths belonging to the near-infrared spectral region. It has been found that the capsules can be disrupted under the irradiation. Continuous and pulsed laser radiations have been shown to have different effects on the capsules.     

Optical, morphological and structural characterization of Langmuir-Schaefer films of a functionalized copper phthalocyanine

Langmuir-Schaefer (LS) films of copper(II) tetrakis-(isoprpoxy-carbonyl)-phthalocyanine (TiPCuPc) have been deposited onto various solid supports. Its floating film have been characterized at the air-water interface by means of Brewster Angle Microscopy and Langmuir curves. Vibrational modes of multilayer transferred LS film have been studied by Raman spectroscopy and the optical parameters (refractive index n and extinction coefficient k) have been determined in the visible range of the electromagnetic spectrum. Linearly polarized light absorbance measurements have been performed at room temperature in the 400-800 nm spectral range and the average orientation of the phthalocyanine rings have been estimated. Transmission electron microscopy has been also used to characterize the morphological properties of the LS film and a close packed arrangement of the deposited molecules has been observed.     

Effect of the composition of polyacrylimide-forming copolymers on their processing

Thermomechanical studies of thermosetting copolymers of acrylonitrile with methacrylic acid and acrylamide with acrylic acid that form similar polyacrylimide foam plastics during curing have been performed. The dependence of the glass-transition temperatures of the copolymers on the degrees of intramolecular imidization has been calculated and confirmed experimentally. Procedures to control the curing rate have been proposed. The influence of plasticizing additives on the glass-transition temperatures, imidization, and foaming of foam-forming compositions has been studied. Plasticized powdered foam-forming compositions with delayed imidization have been developed, and temperature conditions for their processing have been determined.     

Isothermal Flows of Micropolar Liquids: Formulation of Problems and Analytical Solutions

Models for flows of a non-Newtonian liquid have been considered within the framework of the micropolar theory. Different forms of constitutive equations and boundary conditions have been compared. Available analytical solutions and possible applications of the micropolar theory have been reviewed. A mechanically substantiated formulation of the problem relevant to the flow of a micropolar liquid in a Brinkman porous medium has been considered. Formulations of the boundary problem have been proposed for a micropolar liquid flowing in a porous cell.     

Facile synthesis methodology and characterization studies of silica-decorated hybridized anisotropic nanotubes and nanosheets

Carbonaceous nanomaterials and their derivatives have been inspired tremendous enthusiasm in the scientific community. They have been excogitated as the encouraging attributes and the qualified dispersed phase to develop multi-functional composites. Particularly, graphene and carbon nanotube (anisotropic fillers) have gained substantial research interest owing to their promising characteristics. This highlights an innovative technique to synthesize hybridized nanotube and nanosheet. Initially, parent materials have been synthesized: The pristine CNT has been modified by acid mixture solution, and reduced graphene oxide has been prepared by chemical reduction method. Henceforth, the self-assembly in situ sol–gel technique has been endorsed here. The synthesized nanohybrids have been characterized by different spectroscopic techniques: FTIR, Raman, UV, and XPS to confirm the attachment of multifunctionalities; meanwhile, the composition and stability have been investigated from XRD and TGA plots. The magnitude of surface charge and particle size distribution have been evaluated for the parent and hybridized products; further, morphology of all the samples has been authenticated from FESEM and TEM.     

Study of acid-base properties of morin by tristimulus colorimetry

Acid-base properties of morin in aqueous solutions have been studied by means of chemical tristimulus colorimetry, and the ionization constants have been determined. The pK values have been assigned to the corresponding functional groups, and their dissociation scheme has been suggested. Diagram of distribution of ionic and molecular forms of morin at pH 1–13 has been constructed. Spectral parameters of equilibrium acid-base forms of morin have been determined.     

Radiation synthesis of polyaspartamide functionalised hydrogels for sustained release of fragrances

The aim of the present investigation is to assess the possibility of obtaining a biocompatible material device which is able to deliver oil-soluble fragrances in air over a length of time. Aqueous solutions of polyaspartamide functionalised with glycidyl methacrylate have been crosslinked through gamma irradiation in the presence of a lipophilic model fragrance, emulsified prior to irradiation. Two emulsification conditions have been considered at two different concentrations of both fragrance and surfactant in water. Chemical hydrogels have been obtained in correspondence to two irradiation absorbed doses and have been characterised for their solubility properties and swelling ability in water. Both static and dynamic release experiments of the fragrance in air have been performed and the release behaviour related to the hydrogel network structure and its water retention properties.     

卤代烷烃的交叉构象的计数

1969年,Derek Bardon和Odd Hassel由于在构象分析方面取得的成就获得诺贝尔化学奖,从此,构象研究十分活跃,随后,有机分子的交叉构象计数的研究也开始了（尽管此前已经有人做出过重要的工作）,发现烷烃的交叉构象数与其一些物理性质有关,如光谱,粘度等。     

Influence of low concentration silver nanoparticles on the electrical and electro-optical parameters of nematic liquid crystals

Thermodynamical, optical, dielectric and electro-optical characterisation of nematic liquid crystals (LCs) and silver nanoparticle (NP) composites have been carried out. Transition temperatures of pure and composites systems have been measured. Thermodynamical studies suggest increase of clearing temperature of the composite material as compared to the pure material. Threshold voltage for switching from bright to dark state and splay elastic constant of the pure and composite materials have been determined. From frequency dependence of dielectric measurements, permittivity, loss, relaxation frequency and dielectric strength of flip-flop mechanism of LC molecules in the nematic phase have been calculated. Dielectric properties of composites have been explained in reference of Maier and Meier theory. The effects of doping of NPs on dielectric and electro-optic properties of LC-NP composites have been discussed.     

Spectroscopic studies of triethoxysilane sol-gel and coating process

Silica sol-gels have been prepared under different conditions using triethoxysilane (TES) as precursor. The prepared sol-gels have been used to coat aluminum for corrosion protection. Vibrational assignments have been made for most vibration bands of TES, TES sol-gel, TES sol-gel-coated aluminum and xerogel. It has been noticed that air moisture may have helped the hydrolysis of the thin coating films. Xerogels have been obtained from the sol-gel under different temperature conditions and the resulting samples have been characterized by using infrared and Raman spectroscopic methods. IR data indicate that the sol-gel process is incomplete under the ambient conditions although an aqueous condition can have slightly improved the process. Two nonequivalent silicon atoms have been identified from the collected (29)Si NMR spectra for the sol-gel, supporting the result derived from the IR data. The frequency of SiH bending vibration has been found to be more sensitive to the skeletal structure than that of the SiH stretching vibration. A higher temperature condition could favor the progression of hydrolysis and condensation. A temperature higher than 300 degrees C would cause sample decomposition without seriously damaging the silica network. From infrared intensity measurements and thermo-gravimetric analyses, the fractions of incomplete hydrolysis and condensation species have been estimated to be 4% and 3%, respectively. Electrochemical data have shown that the sol-gel coating significantly improves the corrosion protection properties of aluminum.     

Use of complex-forming agents for extraction separation of cerium group of rare-earth elements in systems with neutral organophosphorus extractants

The use of complexons: nitrilotriacetic (NTA) and diethylenetriaminepentaacetic (DTPA) acids have been studied in extraction systems with main classes of neutral organo phosphorus extractants: phosphates (tributyl phosphate-TBP), phosphonate (diisooctylmethyl phosphonate-DiOMP) and phosphine oxides (triisoamylphosphineoxide-TiAPO) to separate lanthanides of the Ce subgroup. Optimal conditions to use complexon have been determined (extractant and salting agent concentrations). The effect of the type of extractant on the lanthanide distribution coefficients' dependence on pH of equilibrium water solution have been studied in the presence of NTA and DTPA. Unextractable cation displacers have been used to regulate distribution coefficients. The values of lanthanide separation coefficients of Ce group have been determined in extraction systems with neutral phosphorus-containing extraction agents — complexon — salting agent compared with Nd macroconcentrations and for lanthanide microconcentrations in the presence of cation displacer. These systems have been shown to be suitable for lanthanide separation of the cerium group.     

Effects of incorporation of modified silica nanoparticles on the mechanical and thermal properties of PMMA

Silica nanoparticles of various sizes have been incorporated by melt compounding in a poly(methyl methacrylate) (PMMA) matrix to enhance its thermal and mechanical properties. In order to improve nanoparticles dispersion, PMMA grafted particles have been prepared by atom transfer radical polymerization (ATRP) from well-defined silica nanoparticles. This strategy was expected to ensure compatibility between both components of the PMMA nanocomposites. TEM analysis have been performed to evaluate the nanosilica dispersion whereas modified and non-modified silica/PMMA nanocomposites thermal stability and mechanical properties have been investigated by both thermogravimetric and dynamical mechanical analysis.     

Endocyclic extension of porphyrin pi-system by interior functionalization of N-confused porphyrins

Internally alkynylated or cyanated N-confused porphyrins have been prepared, and these have been characterized by NMR, UV/Vis/NIR absorption, and X-ray analysis. The desired porphyrins have been synthesized by interconversion between an N-confused porphyrin and an N-fused porphyrin. In the case of terminal alkyne derivatives, intramolecular addition of a pyrrolic NH moiety to the triple bond occurred at ambient temperature to give etheno-bridged N-confused porphyrins. Significant bathochromic shifts in the absorbances of these compounds may be reasonably explained in terms of an increase in their HOMO energy levels due to effective overlap of the porphyrin pi-orbital and the bridged alkene pi-orbital. The corresponding rhodium(I) complexes have also been prepared, and these have been characterized by NMR and X-ray analysis.     

Quantum-Chemical Study of the Oxidative Ability of Nitro Compounds Using Decomposition of Some Simple Amines in the Presence of Triplet Nitromethane as an Example

The photooxidation of amines with triplet nitromethane has been studied using the uB3LYP/6-311g* method. The activation energies for hydrogen atom abstraction from ammonia and the amino group of methylamine or aniline have been found to be 14.1, 4.9, and 6.3 kJ mol^?1, respectively. Details of the hydrogen atom transfer mechanism have been studied, the structures of transition complexes have been revealed, and noncovalent interaction energies have been evaluated in terms of the theory of atoms in molecules.     

Some mass spectral and analytical aspects of deuterium labeling of straight-chain olefins

A calculation method has been developed to enhance the effect of deuterium labeling in the mass spectra of linear vicinal dideuterioalkanes (LVDA). Individual LVDA can be identified from these enhanced spectra. Single carbon-number mixtures of LVD nonanes and LVD decanes have been analyzed successfully using matrices derived from spectra of standards. In addition, enhanced mass spectra have been predicted for all of the LVD heptadecanes and LVD nonadecanes. Matrices have been constructed from the predicted spectra, and preliminary tests of these matrices have been conducted. All identifications and analytical results on the LVDA studied can be used to identify the precursor olefins.     

Approximations of the nucleus size spectrum in nucleation kinetics under gradually varied external conditions

Several simple approximations have been presented for describing evolution of a condensing system at the stage of nucleation under dynamic conditions. All of them have been compared with the exact numerical solution, and their errors have been determined. All relative errors have been shown to be rather small.