Three complexes containing 2-pyrazinecarboxylate (pzca–), including [Ni(pzca)2(H2O)2], [Co(pzca)2(H2O)2], and [Cu(pzca)2(H2O)2], have been synthesized and characterized using physico-chemical and spectroscopic methods. Furthermore, the structure of each complex was determined by single-crystal X-ray diffraction. All three complexes have an octahedral geometry, where the metal ion chelated by two carboxylate oxygens, two nitrogen atoms belonging to pyrazinic acid molecules, and two oxygen atoms of two water molecules. The catalytic activities of these complex-es were also investigated in the green synthesis of 2H-indazolo[2,1-b]phthalazine-triones by the reaction of hydrazine hydrate with an arylaldehyde, phthalic anhydride, and dimedone in acetic acid. 相似文献
A conformational study of the biomolecules released from submicron- and micron-sized temperature-sensitive composite polymer
particles by decreasing the temperature from 40 to 25 °C was done with circular dichroism and the results were compared with
those of the native biomolecules. In almost all cases the biomolecules released retained their native conformational states.
Received: 10 April 2001 Accepted: 13 June 2001 相似文献
Aqueous solution of crystal violet has been evaluated spectrophotometrically as a gamma-ray chemical dosimeter. The response
of the chemical dosimetric system has also been investigated under different environmental conditions, such as light and temperature.
In the present study the response has been measured at two wavelengths; 588 nm (λmax of the irradiated solution) and 500 nm. The response of the crystal violet dosimeter was linear in the dose range of 50–550 Gy
at pH 5.6 when absorption measurements were made at 588 and 500 nm. The response of the crystal violet dosimeter during post-irradiation
storage at room temperature in dark showed slight decrease in absorbance at 588 and 510 nm but the response was almost stable
at 460 nm. For higher doses, the change in the response was greater as compared to the low doses. Post-irradiation stability
during diffused sunlight showed significant decrease in the response for higher dose at 588 and 510 nm and slower decrease
in the response for lower dose at the above mentioned wavelengths. However the response was almost stable up to 97 days at
460 nm for higher and lower doses. At 4 °C, the decrease in the absorbance was slower at 588 and 510 nm while the response
was almost constant at 460 nm. At higher temperatures, such as 40 °C, the decrease in the absorbance was greater at 588 and
510 nm while at 460 nm the absorbance was almost constant for about 3 months. 相似文献
In this paper, a lattice Boltzmann method is employed to simulate the conjugate radiation–forced convection heat transfer in a porous medium. The absorbing, emitting, and scattering phenomena are fully included in the model. The effects of different parameters of a silicon carbide porous medium including porosity, pore size, conduction–radiation ratio, extinction coefficient and kinematic viscosity ratio on the temperature and velocity distributions are investigated. The convergence times of modified and regular LBMs for this problem are 15 s and 94 s, respectively, indicating a considerable reduction in the solution time through using the modified LBM. Further, the thermal plume formed behind the porous cylinder elongates as the porosity and pore size increase. This result reveals that the thermal penetration of the porous cylinder increases with increasing the porosity and pore size. Finally, the mean temperature at the channel output increases by about 22% as the extinction coefficient of fluid increases in the range of 0–0.03.
Gas sensing is one of the most promising applications for graphene. Using molecular dynamics simulation method, adsorption isotherm of xenon (Xe) gas on defected and perfect graphene is studied in order to investigate sensing properties of graphene for Xe gas. In this method, first generation of Brenner many-body potential is used to simulate the interaction of carbon–carbon (C) atoms in graphene, and Lennard–Jones two-body potential is used to simulate interaction of Xe–Xe and Xe–C atoms. In the simulated systems, adsorption coverage, radial distribution function, heat of adsorption, binding energy and specific heat capacity at constant volume are calculated for several temperatures between 90 K and 130 K, and various pressures. It was found that both of the defected and perfect graphene could be introduced as very good candidates for adsorption of Xe gas. 相似文献
Experimental results on the extrapolated ultimate enhancement factors of o-, m-, and p-xylene protons at 1.53 mT are obtained for MC800 asphalt solutions. The ultimate enhancement factors are found such as ?26.9, ?25.7, and ?11.7 for o-, m-, and p-xylene, respectively. These results show that the solvent proton Overhauser effect cannot reach the extrapolated enhancement of ?330 in the extreme narrowing case because of occurrence of small scalar interactions in addition to the dipole–dipole interactions between solvent protons and asphalt electrons. The ortho, meta, and para positions of the –CH3 group change the nature of the interactions. The nuclear magnetic resonance (NMR) signal enhancements exhibit a sensitive behavior depending on the chemical environment differing from isomer to isomer. The solvation or association of asphalt in xylene isomers at room temperature is revealed. Quantum chemical calculations for the xylene isomers with the electronic and optical properties; absorption wavelengths, excitation energy, atomic charges, dipole moment and frontier molecular orbital energies, molecular electrostatic potential; are carried out using the density functional theory (DFT) method (B3LYP) with the 6-311G(d,p) basis set by the standard Gaussian 09 software package program. The relative importance of scalar and translational dipolar interaction parameters determined in dynamic nuclear polarization experiments is explained by the electronic structure of HOMO–LUMO of the xylene isomers. 相似文献