A new method, i.e. the iterative method in functional theory, was introduced to solve analytically the nonlinear Poisson-Boltzmann （PB） equation under general potential ψ condition for the electric double layer of a charged cylindrical colloid particle in a symmetrical electrolyte solution. The iterative solutions of ψ are expressed as functions of the distance from the axis of the particle with solution parameters： the concentration of ions c, the aggregation number of ions in a unit length m, the dielectric constant e, the system temperature T and so on. The relative errors show that generally only the first and the second iterative solutions can give accuracy higher than 97%. From the second iterative solution the radius and the surface potential of a cylinder have been defined and the corresponding values have been estimated with the solution parameters, Furthermore, the charge density, the activity coefficient of ions and the osmotic coefficient of solvent were also discussed,
Technetium-99m-labeled-5-{2-sulfanylethyl-[2-(2-sulfanylethylamino)acetyl]amino}-methyl-2′-deoxy- uridine (99mTc-ANMdU) was reported. The precursor ANMdU was synthesized by six-step reactions and all intermediates were verified with MS and 1HNMR. Using SnCl2 as reducing agent, a labeling reaction was carried out at 100°C for 30 min. The radiochemical purity of the 99mTc-ANMdU was 96.68%. Partition coefficients were 0.92 and 0.70 at pH 7.0 and 7.4 of the phosphate buffer saline, respectively. Biodistribution of 99mTc-ANMdU in normal mice showed that the initial uptake of 99mTc-ANMdU in vivo and the clearance was rapid.
LU ChunxiongJIANG QuanfuYU HuixinWANG SongpeiLi XiaominWANG Zhengwu
With quantum chemical parameters, topological indexes, and physical chemistry parameters as descriptors, a quantitative structure-property relationship（QSPR） has been found for the cloud points of four series of nonionic surfactants（ a total of 65 surfactants）. The best-regressed model includes six descriptors, and the correlation coefficient of multiple determination is as high as 0. 962.
By introducing the functional theory into the calculation of electric double layer （EDL） interaction, the interaction energies of two parallel plates were calculated respectively at low, moderate, and high potentials. Compared with the results of two existing methods, Debye-Hückel and Langmuir methods, which are applicable just to the critical potentials and perform poorly in the intermediate potential, the functional approach not only has much simpler expression of the EDL interaction energy, but also performs well in the entire range of potentials.
Density functional theory (DFT) of quantum chemistry was used to optimize the configuration of the anionic surfactant complexes CH3(CH2)7OSO?3 (H2O)n (n=0―6) and calculate their molecular frequencies at the B3LYP/6-311+G* level. The interaction of CH3(CH2)7OSO?3 with 1 to 6 water molecules was inves-tigated at the air-water interface with DFT. The results revealed that the hydration shell was formed in the form of H-bond between the hydrophilic group of CH3(CH2)7OSO?3 and 6 waters. The strength of H-bonds belongs to medium. Binding free energy revealed that the hydration shell was stable. The in-crease of the number of water molecules will cause increases of the total charge of hydrophilic group and S10-O9-C8 bond angle,but decreases of the alkyl chain length and the bond lengths of S10-O11,S10-O12 as well as S10-O13,respectively.
