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911.
FTIR-ATR has been used for understanding the interaction between bacteria and surfaces in the adsorption progress. 相似文献
912.
913.
Jinmao You Xiangming Chen Xianen Zhao Yourui Suo Honglun Wang Yulin Li Jing Sun 《Chromatographia》2006,63(7-8):337-343
A pre-column derivatization method for the sensitive determination of amines using the labeling reagent 1,2-benzo-3,4-dihydrocarbazole-9-isopropyl
chloroformate (BCIC-Cl) followed by high-performance liquid chromatography with fluorescence detection has been developed.
Identification of derivatives is carried out by high performance liquid chromatography/atmospheric pressure chemical ionization
(LC-APCI-MS-MS). The chromophore of 2-(9-carbazole)-ethyl chloroformate (CEOC) reagent is replaced by 1,2-benzo-3,4-dihydrocarbazole-9-isopropyl
functional group, which results in a sensitive fluorescence derivatizing reagent BCIC-Cl. BCIC-Cl can easily and quickly label
amines. Derivatives are stable enough to be efficiently analyzed by high-performance liquid chromatography and show an intense
protonated molecular ion corresponding m/z [MH]+ under APCI in positive-ion mode. The collision-induced dissociation of protonated molecular ion formed a product at m/z 260 corresponding to the cleavage of CH2-OCO bond. Studies on derivatization demonstrate excellent derivative yields over the pH 9.0–10.0. Maximal yields close to
100% are observed with a 3 to 4-fold molar reagent excess. In addition, the detection responses for BCIC derivatives are compared
with those obtained using CEOC and FMOC as derivatization reagents. The ratios of IBCIC/ICEOC and IBCIC/IFMOC are, respectively, 1.23–3.14 and 1.25–3.08 for fluorescent (FL) responses (here, I is relative fluorescence intensity). Separation of the derivatized amines had been optimized on reversed-phase Eclipse XDB-C8 column. Detection limits are calculated from 1.0 pmol injection, at a signal-to-noise ratio of 3, are 10.6–37.8 fmol. The
mean interday accuracy ranges from 94 to 105% for fluorescence detection with the largest mean %CV<7.5. The mean interday
precision for all standards is < 6.0% of the expected concentration. Excellent linear responses are observed with coefficients
of > 0.9997.
Revised: 12 December 2005 and 13 Febrauary 2006 相似文献
914.
Chiral Schiff base complexes are very efficient for a wide range of reactions, including expoxidation[1], epoxide ring opening[2], Diels-Alder reaction[3], aldol reaction[4], etc. However, there are only few examples of P-N chelate Schiff bases being used as the chiral ligands in the asymmetric transfer hydrogenation of ketones. Recently, Gao et al[5] reported a series of P,N,N,P Schiff base ligands that have relatively low enantioselectivity in the asymmetric transfer hydrogenation of ketones. 相似文献
915.
916.
917.
Brieler FJ Grundmann P Fröba M Chen L Klar PJ Heimbrodt W Krug von Nidda HA Kurz T Loidl A 《Journal of the American Chemical Society》2004,126(3):797-807
Arrays of highly ordered Zn(1-x)MnxS quantum wires with x ranging from 0.01 to 0.3 and with lateral dimensions of 3, 6, and 9 nm were synthesized within mesoporous SiO2 host structures of the MCM-41 and SBA-15 type. The hexagonal symmetry of these arrays (space group p6m) and the high degree of order was confirmed by X-ray diffraction and transmission electron microscopy (TEM) studies. Physisorption measurements show the progressive filling of the pores of the SiO2 host structures, while TEM and Raman studies reveal the wire-like character of the incorporated Zn(1-x)MnxS nanostructures. X-ray absorption near-edge structure, extended X-ray absorption fine structure, photoluminescence excitation (PLE), and electron paramagnetic resonance studies confirm the good crystalline quality of the incorporated Zn(1-x)MnxS guest species and, in particular, that the Mn2+ ions are randomly distributed and are situated on tetrahedrally coordinated cation sites of the Zn(1-x)MnxS wires for all x up to 0.3. The amount of Mn2+ ions loosely bound to the surface of the Zn(1-x)MnxS nanowires is less than 4% of the total Mn content even for the 3 nm nanostructures up to the highest Mn content of x = 0.3. The effects of the reduction of the lateral dimensions on electronic properties of the diluted magnetic semiconductor were studied by PLE spectroscopy. Due to the quantum confinement of the excitons in the wires an increase of the direct band gap with decreasing particle size is observed. 相似文献
918.
Equilibrium molecular dynamics (EMD) are used to examine the self-diffusion and macroscopic diffusion of CH4/H2 mixtures adsorbed inside a (10,10) single-walled carbon nanotube. EMD can be used to determine the macroscopic diffusion coefficients of adsorbed mixtures by evaluating the matrix of Onsager transport coefficients. Earlier studies have indicated the diffusion of light gases adsorbed as single components in carbon nanotubes is extremely rapid compared to that in other known nanoporous materials. The results presented here indicate that extremely rapid diffusion can also occur for mixtures of adsorbed molecules. The rapid diffusion of adsorbed molecules and the strong coupling between the fluxes of the adsorbed species in a mixture have interesting implications for uses of carbon nanotubes in membrane-based applications. 相似文献
919.
A procedure for the Raman spectra calculation of vitreous and molten silicates was presented in this paper. It includes molecular dynamics MD simulation for the generation of equilibrium configurations, Wilson's GF matrix method for the calculations of eigenfrequencies and corresponding vectors, electro-optical parameters method (EOPM) for the Raman intensity calculations, and the bond polarizability model (BPM) for the determination of polarizability and polarizability derivative. One of the most important characteristics of this procedure is the achievement of the partial Raman spectra of five tetrahedral units, as well as the total spectral envelope. In this paper, the calculation was carried out for the vitreous and molten calcium silicates with different compositions and at various temperatures. It is worthwhile to note that the calculation is based on statistical configurations distribution in the space and so it is not needed to artificially adjust the full width at half maximum (FWHM) of spectra. It was also tested through the good agreement of the calculated spectra with the experimental, including some regularity of spectral properties. According to the calculation, the symmetrical stretching of whole tetrahedral units, to which the stretching of Si-O(nb) bond gives the main contribution to intensity, is proven to be the dominance in the high-frequency range (800-1200 cm(-1)) and the symmetrical bending of Si-O(b)-Si, to which the stretching of Si-O(b) bond exhibits the main contribution, is the dominance in the medium-frequency range (400-700 cm(-1)). As the first theoretical results, the Raman scattering coefficient of each Q(i) was found little change along with the variation of composition and temperature. 相似文献
920.
CCl2自由基与H2O分子反应动力学研究 总被引:2,自引:0,他引:2
用213 nm激光光解CCl4产生CCl2自由基,用LP LIF技术测定了室温下基态CCl2自由基与H2O分子的反应速率常数为(5.45±0.95)×10-14 cm3•molecule-1•s-1.在G2MP2理论水平上计算了CCl2+H2O反应的最低单重态势能面,揭示了插入与加成 消除两种反应机理,得到了三个可能的产物通道:HCl+HClCO、HCl+trans ClCOH以及HCl+cis ClCOH.并用RRKM TST和传统过渡态理论计算了这三个通道的分支比及其温度效应.结果说明在低温下(273 K),插入机理的产物通道的分支比远大于加成 消除机理的产物通道, HCl+HClCO是主要产物,分支比为77.4%,其次是HCl+cis ClCOH,分支比为22.6%.而在高温下(3000 K),加成 消除机理的反应通道大于插入机理, HCl+trans ClCOH分支比为82.3%. 相似文献