基于二乙烯三胺配体的锌配合物的合成、晶体结构及均相催化性能

以二乙烯三胺(DETA)为配体合成了1个五配位的锌配合物[Zn(OAc)2(DETA)]·H2O,通过元素分析、红外光谱和X射线单晶衍射对其结构进行了表征,并研究了其催化Henry反应的性能和机理.结果表明,配合物属于单斜晶系,P21/c空间群,中心锌原子与配体的3个氮原子及2个羧基氧原子配位,形成扭曲的三角双锥构型;通过分子内和分子间的氢键作用,配合物分子进一步形成三维晶体结构;在优化条件下,配合物对Henry反应有良好的催化性能,不同醛反应底物在Henry反应方面具有一定普适性.     

工程化蛋白质纳米孔实时监测镉离子与谷胱甘肽的单分子反应

本研究利用合成的全-6-季铵基-β-环糊精(Per-6-quaternary ammonium-β-cyclodextrin,p-QABCD)装备基因工程化的α-溶血素(α-Hemolysin,αHL)蛋白质纳米孔(M113R)7,构建全新的单分子纳米孔反应器,在单分子水平实现对谷胱甘肽(GSH)和镉离子(Cd2+)的络合反应的实时原位监测,并辨认络合反应的不同路径、反应中间产物和最终产物.结果表明,溶液的pH值显著影响GSH与Cd2+络合产物的络合比例.pH=7.4时,GSH与Cd2+络合反应的最终产物为Cd(GSH)2;pH=9.0时,最终产物为Cd(GSH)2和Cd2(GSH)2.其中,Cd2(GSH)2的形成遵循两种路径:(1)一个Cd2+首先结合两个GSH分子的巯基形成Cd(GSH)2,然后,第二个Cd2+结合去质子化的氨基形成Cd2(GSH)2;(2)两个Cd2+分别结合同一个GSH分子的巯基和去质子化的氨基形成Cd2(GSH)1,然后,第二个GSH分子的巯基和去质子化的氨基结合Cd2(GSH)1的Cd2+形成Cd2(GSH)2.本研究实现了在单分子水平无标记和无化学修饰研究金属离子和生物小分子的反应,对理解细胞内重金属的解毒机理和拓展纳米孔单分子技术的研究领域具有重要意义.     

Synthesis and Structure of One New Metal-Organic Framework Based on Flexible Tetrapyridines and Aliphatic Polycarboxylate Acids

One new complex has been produced under solvothermal reactions of tetrakis(4-pyridyloxymethylene)methane(TPOM) with glutaric acid(GA) in the presence of nitrates of cuprum in DMF/H2O(1:5, v/v), namely, {Cu2(TPOM)·GA)2}n. The complex crystallizes in the monoclinic system, space group P2/c with a = 11.556(4), b = 8.713(3), c = 23.602(9) ?, V = 2376.5(15) ?3, C35H36Cu2N4O12, Mr = 831.76, Z = 2, Dc = 1.162 g·cm-3, F(000) = 856, μ = 0.947mm-1, R = 0.0547 and wR = 0.1718(I 2σ(I)). This complex was characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. It is the first complex synthesized by coordinating with TPOM and catenulate aliphatic polycarboxylate acid ligands. The structural analyses show that the complex is a 2-fold interpenetrating 3D architecture.     

高原多年冻土地区遥感图像工程地质分区的探讨

简要叙述了利用遥感图像进行高原多年冻土工程地质分区的优越性,将高原多年冻土工程地质分区分为 3个大区和 10个亚区,着重叙述高原多年冻土工程地质分区判释特征,对判释特征进行了较系统的归纳,并以实例说明遥感工程地质分区判释在青藏铁路线方案比选中的作用。     

The correcting method for the estimation of correlation energies of MF2 (M = Be,Mg, Ca) set molecules

The intrapair and interpair correlation energies of MF₂ (M = Be, Mg, Ca) set molecules are calculated and analysed, and the transferability of inner core correlation effects of M^δ+ are investigated. A detailed analysis of the comparison of correlation energies of neutral atoms with their corresponding ions of M^δ+ and F^δ/2 is given in terms of the correlation contribution of this component. The study reveals that the total correlation energy of MF₂ molecules can be obtained by summing the correlation contributions of M^δ+ and two Fδ-/2 components. This simple estimation method does shed light on the importance of searching useful means for the calculation of electron correlation energy for large biological systems.     

脱硫高钙灰在处理制革废水中的应用

通过对脱硫高钙灰和制革废水的成分研究,根据脱硫高钙灰的化学成分以及良好的吸附特性,用脱硫高钙灰处理制革废水,找出用脱硫高钙灰处理制革废水的最优化条件,达到对脱硫高钙粉煤灰的综合利用,化害为利、变废为宝,以废冶废的目的.     

Synthesis and Characterization of Amphiphilic Block Copolymer Containing PVP and Poly(5-benzyloxytrimethylene carbonate)

Amphiphilic block copolymers have attracted great interest recently, especially for thebiomedical uses1, . The hydrophilic blocks improve the biocompatibility of copolymer, 2while the hydrophobic blocks enhance the mechanics of the material and providever…     

Microwave-assisted Polymerization of ε-Caprolactone with Maleic Acid as Initiator and Drug Release Behavior of Ibuprofen-Poly(ε-caprolaetone) System

Poly(ε-caprolactone) (PCL) with weight-average molar mass over 10000 g/mol was synthesized by microwave-assisted ring-opening polymerization of ε-caprolactonc (ε-CL) with malcic acid (MA) as initiator (2.45 GHz, 360 W, 85 min). Ibuprofen-PCL controlled release system was prepared directly by the ROP of ε-CL in its mixture with ibuprofen. The release of ibuprofen from the system was sustained and steady.     

M(o¨)bius不变梯度和α-Bloch函数

从次调和性入手,研究了复超球上α-Bloch函数关于M-不变梯度的性质,证明了f∈Bα当且仅当supa∈B(1)/(v(E(a,r)))∫E(a,r)|～f(z)|p(1-|z|2)p(α-1)dv(z)＜∞;或者supa∈B∫B(1-|z|2)p(α-1)|～f(z)|p(1-|φa(z)|2)nqdλ(z)＜∞;或者supa∈B∫B(1-|z|2)p(α-1)|～f(z)|pGs(z,a)dλ(z)＜∞. 当α＝1时,推广了欧阳才衡等的相应结果.     

质子、α粒子在水中的径迹结构

简述了一个模拟质子、α粒子的蒙特卡罗径迹结构模型，考虑了质子、α粒子在水中输运时的电离、激发等非弹性散射机制，模拟计算了质子、α粒子在水蒸气(密度为1g／cm^3)中的径迹，质子、α粒子的能量范围为0．3—5MeV／u．考虑了产生的大量低能电子(能量下限为1eV)在水介质中的输运．计算得到的射程、径向剂量等参数，与实验数据符合得较好．