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131.
The relaxation properties of water saturated in porous core are discussed and the distribution of proton transverse relaxation time and bi-exponential model of longitudiual relaxation time are obtained, which provide an illustration for two-model of fluids saturated in porous media. The cutoff value of T_1 based on relaxation specific property of fluids in porous core is adopted to improve the correlation between permeability and ?4T1b2. 相似文献
132.
Deng Y Wang C Shen X Yang W Jin L Gao H Fu S 《Chemistry (Weinheim an der Bergstrasse, Germany)》2005,11(20):6006-6013
Novel functional microspheres with multistimuli-responsive properties have been prepared and characterized. The as-prepared microspheres respond to an external magnetic field, environmental temperature, and ultraviolet radiation. The in vitro drug-loading efficiency and drug-release behavior of these microspheres demonstrated that they could be used as drug carriers for drug controlled release. The results of in vivo distribution investigations of these microspheres showed that they exhibit a high magnetic-targeting effect, which holds promise for applications in various fields such as magnetic drug targeting and tissue labeling, among others. 相似文献
133.
Zhanglin Liu Dong Tian Fei Shen Lulu Long Yanzong Zhang Gang Yang Yongmei Zeng Jing Zhang Jinsong He Ying Zhu Shihuai Deng 《中国化学快报》1990,30(12):2221-2224
Four distinct biochars were employed to remove three typical pollutants, meanwhile, path analysis, a multi-statistical regression method, was performed to elucidate the dominant factors of biochar adsorption. This work can provide a new insight to prepare a targeted biochar as adsorbents. 相似文献
134.
135.
Quantum scattering LCAC-SW theory studies on reaction probabilities of three-dimensional H + H2 (v, j) → H2 (v′, j′) + H reaction 总被引:1,自引:0,他引:1
Upon the Liu, Siegbahn, Truhlar, Horowitz (LSTH) potential energy surface, the reaction probabilities of the three-dimensional
(3-D) state-to-state H + H2 (v, j) →H
2(v′, j′) + H reaction are calculated with the linear combination of arrangement channels-scattering wavefunction (LCAC-SW) method.
In the calculation, the vibration function of H2 and the radial propagating wave functions are expanded by the real Gauss functions. The calculated threshold energy and the
resonating structure are consistent with the results of the accurate quantum scattering calculations, which shows the accuration,
simplicity and practicability of the LCAC-SW method.
Project supported by the National Natural Science Fondation of China and the Doctoral Foundation of the State Education Commission
of China. 相似文献
136.
Isomeric structures and energies of three kinds of lithofluorosilylenoids, R2SiLiF (R = NH2, OH, F) were studied using theab initio molecular orbital theory. The calculations show that thermal stability of the three-membered ring structures of these three
kinds of silylenoids decreases in the order of substituents NH2 > OH > F because of the conjugation between NH2, OH or F and Si atom. The interaction of substituents R with Li atom makes R2SiLiF have a structure with two Li-A-Si-F (A = N, O, F) four-membered rings, which is the most stable of the isomers of each
of three kinds of silylenoids and whose stability decreases in the order of substituents F > OH > NH2. Inductive effect of substituents influences the thermal stability of the linear structure of silylenoids. 相似文献
137.
The merocyanine dye 3-ethyl-5-(2-(3-ethyl-2-benzothiazolinylidene)-ethylidene)-rhodanine (BTER) known as Agfa-10 has been found to have a good photoconductivity as solution cast film. In this paper iodine-doped BTER was obtained by doping with iodine vapor. Its structure was investigated with the following characteristies. 1 The doped iodine had been excited as I_3~- anion. 2 Because the electron located on the sulphur atom was transferred to iodine, the charge transfer complex of (BTER-I_3) formed. 3 During the iodine doping process, BTER changed from α-form to β-modification. These had been identified by X-ray diffraction, VIS-absorption spectra and SEM picture.4 From the volt-Ampere curve obtained from sandwich cell, when E≤2.2×10~(-1) V·cm~(-1), the room temperature electrical conductivity of BTER and BTER-I_3 were found to be 2.22×10~(-10) s·cm~(-1) and 2.6×10~(-7) S·cm~(-1), respectively. 相似文献
138.
Pirrung MC Liu Y Deng L Halstead DK Li Z May JF Wedel M Austin DA Webster NJ 《Journal of the American Chemical Society》2005,127(13):4609-4624
The principle of methyl scanning is proposed for determination of the sites of interaction between biologically active small molecules and their macromolecular target(s). It involves the systematic preparation of a family of methylated derivatives of a compound and their biological testing. As a functional assay, the method can identify the regions of a molecule that are important (and unimportant) for biological activity against even unknown targets, and thus provides an excellent complement to structural biology. Methyl scanning was applied to demethylasterriquinone B1, a small-molecule mimetic of insulin. A new, optimal total synthesis of this natural product was developed that enables the family of methyl scan derivatives to be concisely prepared for evaluation in a cellular assay. The results of this experiment were used to design a biotin-demethylasterriquinone conjugate for use as an affinity reagent. This compound was prepared in tens of milligram quantities in a four-step synthesis. 相似文献
139.
Behaviour of organic pollutants in paper and board samples intended to be in contact with food 总被引:1,自引:0,他引:1
This paper deals with the study of volatile compounds present in a set of three paper and board (P&B) samples of different composition, surface treatment, grammage and thickness. The volatile compounds released by the packaging material (P&B) can be trapped on the food and may then affect the safety and health of consumers. To evaluate if the recycled P&B could be used as food packaging material, adsorption studies have been performed with a selection of chemical substances. The adsorption isotherms are provided. Partition coefficients between paper and air have been calculated for a series of volatile compounds used as model compounds to represent different families of contaminants commonly present in P&B. Values from 4 to 3243 were obtained at different temperatures. The analysis of volatile compounds have been carried out by automatic headspace coupled on-line with GC/MS in SIM mode. The results obtained are shown and discussed. 相似文献
140.
A new quantum scattering approach (linear combination of arrangement channels-scattering wavefunction, LCAC-SW) proposed by Deng and his co-workers is used to calculate collinear state-to-state reaction probabilities for the F + H2(v) → HF(v') + H system. Several interesting problems such M threshold energy, compound states and enhance by translational energy of the reactants and the vibration excitation of products are discussed and they are compared with other theoretical investigations reported in the literature. It is shown that the LCAC-SW approach is the successful one of quantum scattering methods. 相似文献