三元硼氮环的电子结构与成键

用从头算ＳＣＦ－ ＭＯ法对三元硼氮环２ 个系列８ 个分子的电子结构进行了研究．根据计算结果,由原子的轨道布居以及σ和π电子的分布,讨论了硼原子与氮原子间的成键情况．结果表明,硼原子和氮原子上加Ｈ 有利于环的稳定,同时削弱了Ｂ—Ｎ 键而增强了Ｂ—Ｂ键和Ｎ—Ｎ 键,对Ｂ２Ｎ 系列和ＢＮ２ 系列中的Ｂ原子和Ｎ 原子的净电荷的影响恰好相反．     

甲酸甲酯生产甲酰胺催化新工艺的研究

研究了在常压下,由甲酸甲酯与ＮＨ３反应生产甲酰胺的催化新工艺,比较了不同反应器、加或不加催化剂。催化剂活性组分含量、催化剂粒度大小及装量等对反应的影响,并考察了不同反应温度、ＮＨ３流量、反应时间与甲酰胺收率的关系,结果表明用催化新工艺在２ｇ－Ｍ－１０催化剂上,加２０ｍＬ甲酸甲酯,ＮＨ４流量为４Ｌ／ｈ,反应温度７℃,反应２ｈ后,甲酰胺收率可达９９％。     

还原温度对氧化铁吸附性能的影响

利用脉冲气相色谱保留体积法测定了不同还原温度的氧化铁样品对水的吸附特性并和Ｘ光衍射结果进行了关联,同时测定了含铬氧化铁对水的吸附特性。结果表明,中温还原样品有比较均匀的表面,低温和高温还原样品的表面均有一定程度的不均匀性且符合焦姆金吸附方程。铬的加入降低了氧化铁对水的吸附热,并增加吸附中心的数量     

Structural Studies on Host + Guest Recognition Sensory Systems

Rhodamine B-ethylenediamine--cyclodextrins (RhB--CDen) and rhodamine B--cyclodextrins (RhB--CD) can form inclusive complexes with many guest molecules, a reaction which can be used as a nucleic acid probe. In this paper, the most stable conformations of RhB--CDen and RhB--CD have been determined by fluorescence experiments and analyzed by molecular modeling simulation. The interaction between RhB--CDen and two guest molecules, 1-borneol and cyclohexanol, has also been investigated. The results showed that RhB--CDen has a stronger interaction with 1-borneol than with cyclohexanol. Borneol could push the three aromatic-rings of rhodamine B out of the CD cavity, while the cyclohexanol could not. The interactive sites of host and guest are also presented.     

Study on analysis of153Sm-EDTMP stability in vitro and vivo by HPLC

The behavior of¹⁵³Sm-EDTMP in vitro and vivo is analyzed by the size exclusion HPLC. The experimental results show that EDTMP amounts have an obvious effect on the stability in vitro and uptake of¹⁵³Sm-EDTMP in the liver. HPLC analysis of urine sample indicates that¹⁵³Sm-EDTMP es excreted in the original form. The behavior in vivo of¹⁵³Sm-EDTMP containing 4 μg is similar to that of¹⁵³Sm-EDTMP containing 50 μg EDTMP at 1 h post-injection.     

Synthesis and in vitro cytotoxicity of novel dinuclear platinum(II) complexes containing a chiral tetradentate ligand

A series of novel dinuclear platinum(II) complexes with a chiral tetradentate ligand, (1R,1′R,2R,2′R)-N¹,N¹′-(1,2-phenylenebis(methylene))dicyclohexane-1,2-diamine (HL), and mono-carboxylic acid derivatives as ligands have been designed, synthesized, and characterized. In vitro cytotoxicity evaluation of synthesized complexes against human HepG-2, A549, HCT-116, and MCF-7 cancer cell lines has been conducted by MTT assays. All compounds showed antitumor activity to HepG-2 and HCT-116 cell lines. Compound L2 exhibited better cytotoxicity than that of carboplatin against HepG-2 and A549 cell lines and also showed comparable activity against HCT-116 cell line.