IR, Raman and SERS spectra of 2-phenoxymethylbenzothiazole

The FT-IR and FT-Raman spectra of 2-phenoxymethylbenzothiazole were recorded and analyzed. The surface enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The vibrational wavenumbers of the compound have been computed using the Hartree–Fock/6-31G* basis and compared with the experimental values. The appearance of the Ag–O stretching mode at 237 cm⁻¹ in the SERS spectrum along with theoretically calculated atomic charge density, leads us to suggest that the molecule is adsorbed through the oxygen atom with the molecular plane tilted on the colloidal silver surface. The direction of charge transfer contribution to SERS has been discussed from the frontier orbital theory.     

An empirical study on the benefit of split loads with the pickup and delivery problem

Splitting loads such that the delivery of certain loads is completed in multiple trips rather than one trip has been shown to have benefit for both the classic Vehicle Routing Problem (VRP) and the Pickup and Delivery Problem (PDP). However, the magnitude of the benefit may be affected by various problem characteristics. In this paper, we characterize those real world environments in which split loads are most likely to be beneficial. Based on practitioner interest, we determine how the benefit is affected by the mean load size and variance, number of origins relative to the number of destinations, the percentage of origin–destination pairs with a load requiring service, and the clustering of origin and destination locations. We find that the magnitude of benefit is greatest for load sizes just over one half vehicle capacity as these loads can not be combined without splitting, while they are the easiest to combine on a vehicle with splitting; increases as the number of loads sharing an origin or destination increases because there are more potential load combinations to split at each stop; and increases as the average distance from an origin to a destination increases because splitting loads reduces the trips from origins to destinations.     

Biomimetic mineralization of hydroxyapatite crystals on the copolymers of vinylphosphonic acid and 4-vinilyimidazole

In the present work, copolymers of vinylphosphonic acid and 4-vinilyimidazole (poly(4-VIm-co-VPA)) were found to be substrates favoring the precipitation of nanohydroxyapatite (HAP) crystals from stable supersaturated solutions at pH 7.4 and 37 degrees C. Deposition kinetics were studied by the constant composition technique. The rates of crystallization both on HAP seed crystals as reference and on the copolymer in powder form were investigated at constant supersaturation conditions. The rates of HAP crystal growth on the polymeric substrate were found to depend on the amount of seed material and on the phosphate content of the copolymer.     

Temperature Effect on Drying and Swelling of Kappa Carrageenan Gels: A Steady State Fluorescence Study

Summary: A novel technique based on in situ steady state fluorescence (SSF) measurements is introduced for studying drying and swelling of κ- carrageenan (kappa carrageenan) gels at various temperatures. κ- carrageenan gels were completely dried and then swelled in water vapor. Pyranine was embedded in κ- carrageenan and used as a fluorescence probe. Scattered light intensities, I_sc and fluorescence intensities, I were monitored during the drying and swelling of κ- carrageenan gels. It was observed that the fluorescence intensity decreased linearly as drying time was increased. A simple model consisting of Case II diffusion was used to quantify the drying processes of the κ- carrageenan gels. This moving boundary model provided packing constant, k₀. During swelling, fluorescence intensity increased exponentially as time is increased. The increase in I, was modeled using Li-Tanaka equation from which swelling time constants, τ_c and cooperative diffusion coefficients, D_c were determined. It was observed that swelling time constants, τ_c decreased and diffusion coefficients, D_c increased as the swelling temperature was increased. Activation energies for drying and swelling were also obtained and found to be 53.9 and 47.2 kJ mol⁻¹, respectively.     

Numerical solutions of the Gardner equation by extended form of the cubic B-splines

The extended definition of the polynomial B-splines may give a chance to improve the results obtained by the classical cubic polynomial B-splines. The optimum value of the extension parameter can be determined by scanning some intervals containing zero. This study aims to solve some initial boundary value problems constructed for the Gardner equation by the extended cubic B-spline collocation method. The test problems are derived from some analytical studies to validate the efficiency and accuracy of the suggested method. The conservation laws are also determined to observe whether the test problems remain constant as expected from the theoretical aspect. The stability of the proposed method is investigated by the von Neumann analysis.     

Temperature dependent energy relaxation time in AlGaN/AlN/GaN heterostructures

The two-dimensional (2D) electron energy relaxation in Al_0.25Ga_0.75N/AlN/GaN heterostructures was investigated experimentally by using two experimental techniques; Shubnikov-de Haas (SdH) effect and classical Hall Effect. The electron temperature (T_e) of hot electrons was obtained from the lattice temperature (T_L) and the applied electric field dependencies of the amplitude of SdH oscillations and Hall mobility. The experimental results for the electron temperature dependence of power loss are also compared with the current theoretical models for power loss in 2D semiconductors. The power loss that was determined from the SdH measurements indicates that the energy relaxation of electrons is due to acoustic phonon emission via unscreened piezoelectric interaction. In addition, the power loss from the electrons obtained from Hall mobility for electron temperatures in the range T_e > 100 K is associated with optical phonon emission. The temperature dependent energy relaxation time in Al_0.25Ga_0.75N/AlN/GaN heterostructures that was determined from the power loss data indicates that hot electrons relax spontaneously with MHz to THz emission with increasing temperatures.     

Traveling waves in rational expressions of exponential functions to the conformable time fractional Jimbo–Miwa and Zakharov–Kuznetsov equations

The conformable time fractional Jimbo–Miwa and Zakharov–Kuznetsov equations are solved by the generalized form of the Kudryashov method. A simple compatible wave transformation is employed to reduce the dimension of the equations to one. The predicted solution is of the form of a rational expression of two finite series at both the numerator and the denominator. The terms of both series are of the powers of some functions having exponential expressions satisfying a particular ODE. The exact solutions are expressed explicitly in terms of powers of some exponential functions in form of rational expressions.     

The determination of β-agonist residues in bovine tissues using liquid chromatography–tandem mass spectrometry

We aimed to develop a rapid, simple and reproducible method based on LC–tandem mass spectrometry (LC–MS/MS) to analyze β-agonist residues (clenbuterol, zilpaterol, ractopamine and isoxsuprine) in bovine tissues. The method was validated in accordance with the European Council Decision 2002/657/EC. The samples were homogenized, and then 10 mL of an acetate buffer was added to a 5-g sample. The sample was then centrifuged at 12,000 rpm and filtered. Sodium hydroxide (2 m ) was added to adjust pH of the sample that was centrifuged again. The extract was filtered through a solid-phase extraction column. The residue was re-dissolved in 250 μL acetonitrile and then subjected to LC–MS/MS. The separation was done on a C₁₈ column. The mobile phase consisted of 0.1% formic acid in deionized water and 0.1% formic acid in methanol. The mean recoveries of β-agonists were in the range of 84.3%–119.1% with relative standard deviations (%RSDs) of 0.683%–4.05%. Decision limits and detection capabilities of the analytes ranged from 0.0960 to 4.9349 μg/kg and from 0.0983 to 5.0715, respectively. This method was used to detect four β-agonists in 100 bovine muscle, 100 liver and 100 kidney tissues from a slaughterhouse. No residue was found above the maximum residue limit level.     

Development of reactive methacrylates based on glycidyl methacrylate

Six methacrylate monomers have been synthesized for use as reactive diluents in dental composites and evaluated to investigate the relationship between molecular structure and monomer reactivity. Four were synthesized by reactions of glycidyl methacrylate (GMA) with various acids, 2‐(2‐methoxyethoxy)acetic acid ( 1 ), 2‐(2‐(2‐methoxyethoxy)ethoxy)acetic acid ( 2 ), cyanoacetic acid ( 3 ), and benzoic acid ( 4 ); others were synthesized by reactions of GMA with diethyl hydrogen phosphate ( 5 ) or methanol ( 6 ). Monomers 1 and 2 are novel, 3 seems to be novel, 4 and 6 were synthesized via a novel method, and the synthesis of 5 was described in the literature. The monomers showed high crosslinking tendencies during thermal bulk polymerizations. The photo‐, homo‐, and copolymerization behavior of the monomers with 2,2‐bis[4‐(2‐hydroxy‐3‐methacryloyloxy)phenyl]propane (Bis‐GMA) were investigated. The maximum rate of polymerizations of monomers 2 – 6 was found to be greater than triethyleneglycol dimethacrylate, Bis‐GMA, 2‐hydroxyethyl methacrylate, and glycerol dimethacrylate. For the more reactive monomers ( 2 , 3 , and 4 ), the oxygen sensitivity of polymerization was found to be low due to a hydrogen abstraction/chain transfer reaction. The computationally calculated dipole moment and lowest unoccupied molecular orbital energies indicated that there seems to be a correlation between these quantities and reactivity for ester linked monomers ( 1 – 5 ), which was also supported by ¹³C NMR data. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 3787–3796, 2010