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.
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.
