纳米SrTiO3对高铁酸盐电化学性能影响研究

Two ferrates, K₂FeO₄ and BaFeO₄, had been prepared and characterized by XRD, IR and SEM. The electrochemical tests of the samples were carried out in the voltage range of 0.8～2.0 V and current density of 0.5～3.0 mA·cm^-2. The results indicated that performance of Zn-BaFeO₄ battery was superior to that of Zn-MnO₂ and Zn-K₂FeO₄ batteries. Nanometer SrTiO₃ prepared by Sol-gel methode with different ratio was added to the BaFeO₄ cathode in order to improve the discharge performance. The discharge capacity of the BaFeO₄ cathode was increased from 224 mAh·g^-1 to 246 mAh·g^-1 by addition of 5% nanometer SrTiO₃. The reason of enhancing BaFeO₄ electrochemical performance was discussed.     

Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry

Inductively coupled plasma mass spectrometry (ICPMS) has been used to determine the rate and routes of excretion of bromine following the intraperitoneal administration (50 mg kg(-1)) of 2-, 3- and 4-bromobenzoic acids to male bile-duct-cannulated rats. Analysis of urine and bile for (79/81)Br using ICPMS showed that all three bromobenzoic acids were rapidly excreted (82-98%) within 48 h of dosing, primarily via the urine. High-performance liquid chromatography/inductively coupled plasma mass spectrometry (HPLC/ICPMS) was then used to obtain metabolite profiles for bile and urine. These profiles revealed that extensive metabolism had taken place, with the unchanged bromobenzoic acids forming a minor part of the total of compound-related material detected. Concomitant MS studies, supplemented by alkaline hydrolysis, enabled the identification of the major metabolite of all three of the bromobenzoic acids as a glycine conjugate. Ester glucuronide conjugates were also identified, but formed only a small proportion of total.     

Applications of prompt particle spectrometry to studies of tinplate surfaces

The use of alpha backscattering is described for the study of oleo-resinous lacquers on tinplate. The lacquer composition is measured as a function of curing temperature, duration of stoving and ageing. The effect of reheating understoved specimens is evaluated and the decomposition during alpha bombardment is measured. The use of prompt proton spectrometry from (d, p) reactions is described for the analysis of stains on tinplate surfaces produced by interaction with protein-rich foods.     

WxC-MCM-48催化剂的合成、表征及加氢脱硫催化性能

以正硅酸乙酯(TEOS)为硅源，十六烷基三甲基溴化铵(CTAB)为表面活性剂，仲钨酸铵为钨源，采用水热晶化法一步合成了不同钨含量(以Si、W物质的量比n_Si/n_W表示)的WO₃-MCM-48，然后经甲烷/氢气(V/V=1/4)混和气体程序升温还原碳化(TPC)，制备出了W_xC-MCM-48(x=1、2)催化剂，采用XRD、N₂吸附-脱附和NH₃-TPD对样品的结构进行了表征，用噻吩作为模型化合物，对W_xC-MCM-48催化剂的加氢脱硫催化活性进行了评价。结果表明，在一定钨含量的条件下，WO₃-MCM-48和W_xC-MCM-48样品仍然保持MCM-48的三维立方有序介孔结构，n_Si/n_W=30～15时，碳化钨的物相为W₂C；n_Si/n_W=7.5时，碳化钨为W₂C和WC物相，W_xC-MCM-48催化剂表现出了良好的加氢脱硫催化性能。     

单核铁(Ⅲ)双卟啉配合物在溶液中的构象平衡及其对环己烷羟化反应的催化活性的影响

合成及表征了一系列以柔韧碳氢链相连不同长度的ｐ／ｐ型单核铁（Ⅲ）双卟啉配合物，以可见光谱首次观察到该系列配合物在氯仿溶液中开放式及闭合式构象的平衡，发现６８０ｎｍ处吸收峰强度与这种构象平衡有关，烷氧链越长，该吸收峰强度越大．利用该类配合物模拟了细胞色素Ｐ４５０单加氧酶对环己烷的羟化作用，催化结果表明，在以分子氧为氧源及还原剂存在的温和条件下，该类配合物的催化活性显著高于单核铁卟啉（ＦｅＴＰＰＣｌ），随着柔韧碳氢链长度的增加，双卟啉的催化活性依次增加．高的催化活性与双卟啉配合物在溶液中的构象平衡，即闭合式构象引起的立体位阻及电子转移有关．     

Scaling in second-order electron correlation calculations using systematic sequences of even-tempered basis sets

Improved results can often be obtained from second-order Rayleigh-Schrödinger perturbation calculations of electron correlation energies using large basis sets by introducing a scaling factor in the zero-order Hamiltonian. The scaling parameter may be determined from full third-order calculations using a smaller basis set. This scaling procedure can be applied in a systematic fashion by employing a sequence of even-tempered basis sets. Calculations illustrating this approach for the beryllium atom and the neon atom are presented. The scaling procedure is also employed in conjunction with a universal systematic sequence of basis functions. Calculations illustrating this Correlation energy — Mang-body perturbation theory.Work supported in part by S.R.C. Research Grant GR/B/4738.6.S.R.C. Advanced Fellow.     

金属络合物的相转移催化分析与分离

以可简单分离回收、可反复使用为目标，详细介绍了相转移催化的变化发展过 程．通过对溶剂的选择，使得催化剂选择性地溶解在某一液相中，而使产物溶解在 另一液相中，如水-有机两相催化体系；通过温度的变化，简单地实现了在较高温 度下反应为均相体系以提高催化剂的活性，而在较低温度下实现了催化剂与产物不 相溶使得催化剂得以简单分离，如温控型水-有机两相催化体系、氟-有机两相催化 体系、温控型含氟催化剂、温控型有机金属催化剂等．     

Selective syntheses of novel polyether fullerene multiple adducts

We have applied a modified macrocyclic tether approach to control multiple additions to C60. The technique of 3He NMR was used to confirm the selective formation of specific C60 multiple adducts by the macrocyclic tether approach. An oligoglycol was used as a flexible linker to produce macrocyclic polyether-linked malonates 5, 6, 8, and 9 under solid-liquid PTC (phase-transfer-catalysis) conditions. The formation of a single C60 tris-adduct, 3, from macrocyclic malonate 1 and 3He@C60 was proven by 3He NMR. Similarly, multiple additions to C60 of macrocyclic polyether malonate 5 gave C60 bis-adduct 10 selectively, while the reaction of C60 with macrocyclic malonate 8 gave bis-adducts 11 and 12. A similar process with macrocyclic malonate 6 gave tris-adduct 13 with high selectivity as well. Saponification of these C60 multiple adducts gives the corresponding polyacids that are potentially useful in biological applications. Macrocyclic polyether fullerenes are a new class of ionophores, which could be interesting for molecular recognition and for the development of biosensors.     

肝素化聚甲基硅氧烷-聚氧乙烯接枝物的合成及其体外抗凝血性能评价

以二甲基硅油接枝端羟基聚氧乙烯（ＰＤＭＳ ｇ ＰＥＯ ＯＨ）为基材，用二环己基碳二亚胺（ＤＣＣＩ）作脱剂，研究了羟基（ＯＨ）与肝素上的羧基（—ＣＯＯＨ）之间的脱水缩合反应，制备出肝素化的抗血栓材料ＰＤＭＳ ｇ ＰＥＯ Ｈｅｐ，并对其涂覆表面的肝素含量和体外抗凝血性能进行了初步评价．实验结果表明，肝素接枝的共聚物具有优良的抗凝血性能和一定的应用前景．     

TWO WATER-SOLUBLE FLUORESCENCE PROBES FOR CHEMIEXCITATION STUDIES: SODIUM 9,10-DIBROMO- AND 9, 10-DIPHENYLANTHRACENE-2-SULFONATE. SYNTHESIS, PROPERTIES AND APPLICATION TO TRIPLET ACETONE AND TETRAMETHYLDIOXETANE

The syntheses of sodium 9,10-dibromo- and 9,10-diphenylanthracene-2-sulfonate (DBAS and DPAS, respectively) are described and their photophysical properties determined. These two probes were used in aqueous solution studies of the kinetic parameters of tetramethyldioxetane thermolysis, which were found to be the same as in organic solvents. The yields of triplet and singlet acetone generated by the decomposition of this dioxetane in water are also comparable to the literature values in organic medium. The lifetime of triplet acetone in water was determined to be 13 ± 2 u.s by a method based on the measurement of the fluorescence decay of DBAS excited via energy transfer from triplet acetone, by the time-correlated single-photon counting technique. Sorbate ion quenches triplet acetone from tetramethyldioxetane with a rate constant smaller but close to the diffusion-controlled limit.