Accurate ionization potentials for UO and UO2: a rigorous test of relativistic quantum chemistry calculations

Accurate ionization potential (IP) measurements provide essential thermodynamic information and benchmark data that can be used to evaluate the validity of electronic structure models. Calculations of the first IP of UO2 using relativistic methods consistently predict values that are approximately 0.7 eV higher than the accepted experimental value. The present measurements validate the theoretical calculations and show that the previous determinations corresponded to the ionization of thermally excited molecules. Similarly, new measurements of the IP for UO show that the currently accepted value is too low by 0.4 eV.     

人尿中异黄酮的高效液相色谱分析

建立了测定人尿中异黄酮组分(大豆苷原、黄豆黄素、雌马酚、染料木黄酮)含量的反相高效液相色谱法。在尿样中加入黄酮作为内标,异黄酮经酶解后在pH=7.0中性条件下用乙酸乙酯(1∶1)提取,然后用0.02%TFA-M eOH-ACN三元梯度洗脱的方法分离异黄酮。在该条件下,大豆苷原、黄豆黄素、雌马酚、染料木黄酮的检出限分别为12.9 nmol/L、13.9 nmol/L、71.6 nmol/L和11.8 nmol/L;回收率均在89%以上。本方法具有测试步骤简单、准确度高、重现性好等优点,适合大批量样品测定。     

Calix[4]crown in dual sensing functions with FRET

A new calix[4]crown chemosensor based on dual sensing probes reveals Pb²⁺ ion selectivity over other metal ions, which arises from a hypsochromic shift of azo units in UV spectrum as well as a fluorescence enhancement of pyrenyl parts in fluorescence spectrum via a suppressed FRET.     

An all-atom simulation study on intermolecular interaction of DMSO–water system

An all-atom dimethyl sulfoxide (DMSO) model and a TIP5P water model have been adopted for molecular dynamics simulation. Two new qualities η_rel^E and η_rel are introduced to describe the anomalous nonideal behaviors of DMSO–water mixtures. The simulation is compared with chemical shift and excess enthalpy of mixing, which shows good concentration dependences. In addition, our all-atom simulation also indicates that the C–H groups of DMSO may interact with the oxygen atoms of water and DMSO. The weak C–HO contacts and the strong O–HO hydrogen bonds represent the consistent concentration dependences, which exhibits the cooperation effect.     

毛细管电泳在拮抗药物对氨基苯甲酸、对羟基苯甲酸和磺胺分析测定中的应用

本文报道了一种用毛细管区带电泳法(CZE)分离与测定对氨基苯甲酸、对羟基苯甲酸及磺胺类药物的新方法.电泳条件为:用 20mmol/L硼砂-20mmol/L H_3PO_4-20 mmol/Lβ-环糊精-4％乙醇(pH 7.0)作电泳液,L-抗坏血酸为内标,280nm为检测波长,样品由电进样方式(10kV/10s)引入毛细管(51.2 cm×50μm i.d.,有效分离长度为 38.5 cm).在24.5°C下,6 min内三者可达基线分离(电泳电压 25kV),且在一定范围内可进行定量分析,保留时间(Tr)及A_(样品)/A_(内标)的RSD值分别小于1.0％和5.0％.本法的建立为研究这三者共存于高等动物及微生物体内时的生理作用提供了一种可共选择的新方法.     

溶液的pH值对纳米CeO2晶粒形貌及形成机制的影响

以亚硝酸铈盐和氨水沉淀法合成了二氧化铈纳米粒子. 通过对溶液pH值的调节制备出了形貌各异的纳米CeO2晶粒. TEM和BET结果表明 酸性条件下, 得到的是球形的纳米CeO2晶粒且其比表面为148.1944 m2·g-1;中性时, CeO2晶粒的形貌为球形和棒状的混合形, 比表面为114.7975 m2·g-1;而碱性环境下, 易得到棒状的、比表面为106.2465 m2·g-1 的CeO2晶体. 另外还对各种形貌产物的形成机制进行了研究.     

苯胺气相N－烷基化反应研究Ⅱ．苯胺和乙醇常压催化合成N－乙基苯胺的工业应用

苯胺气相Ｎ－烷基化反应研究Ⅱ．苯胺和乙醇常压催化合成Ｎ－乙基苯胺的工业应用陈骏如，李瑞祥，韩银仙，李贤均（四川大学化学系成都６１００６４）Ｎ－乙基苯胺是制造染料、塑料、炸药和医药等许多化工产品的重要中间体，其合成方法过去多采用无机酸催化剂，如Ｈ＿２Ｓ...     

Effect of Pluronic F127 on the pore structure of macrocellular biodegradable polylactide foams

Thermally induced phase separation technique was utilized to fabricate biodegradable poly(l ‐lactic acid) (PLLA) macrocellular foams which were capable of being applied in tissue engineering. The block copolymer Pluronic F127 composed of (polyethyleneoxide)‐(polypropyleneoxide)‐(polyethyleneoxide) [(PEO)‐(PPO)‐(PEO)] was used as a porogen. Water/dioxane mixtures with different volume ratios were used as solvents. The addition of Pluronic F127 could induce an appearance of large pores (50–200 μm) besides small pores (10–20 μm) or a change from a solid–liquid phase separation to a liquid–liquid phase separation. The role of Pluronic F127 depends on the water/dioxane ratios in the PLLA/dioxane/water system. The X‐ray diffraction patterns and porosity measurement results showed that Pluronic F127 was crystallized and existed on the pore wall. The effect of Pluronic F127 on changing pore structure is attributed to the occurrence of the interaction of the lipophilic PPO blocks in Pluronic F127 with PLLA clews, consequently, this results in PLLA aggregation and early phase separation on cooling. Copyright © 2004 John Wiley & Sons, Ltd.