Synthesis and Crystal Structure of a Novel Ethyl 5-(4-(2-Phenylacetamido)phenyl)-1H-pyrazole-3-carboxylate as an Acrosin Inhibitor

The title compound (ethyl5-(4-(2-phenylacetamido)phenyl)-1H-pyrazole-3-carboxy- late, C20H19N3O3) was synthesized by the reaction of Claisen condensation, cyclization, reduction and acylation. The structure was characterized by X-ray diffraction, MS, NMR and IR. It belongs to the monoclinic system, space group C2/c with a = 22.723(9), b = 9.324(4), c = 18.890(8) , β = 114.259(6)°, V = 3649(3) 3, Dc = 1.272 Mg·m-3, Z = 8, Mr = 349.38, μ = 0.087 mm-1, F(000) = 1472, the final R = 0.0615 and wR = 0.1643. The biological test shows that the title compound has a moderate acrosin inhibition activity.     

Hydrothermal Synthesis and Crystal Structure of a Novel Hexanuclear Copper（Ⅱ） Complex：[Cu_6（DPPZ）_4（btc）_4（H_2O）_8]·5H_2O

A new hexanuclear copper(Ⅱ) complex,[Cu 6 (DPPZ) 4 (btc) 4 (H 2 O) 8 ]·5H 2 O (1,DPPZ=dipyrido[3,2-a:2,3-c]phenazine,H 3 btc=1,3,5-benzenetricarboxylic acid),has been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analyses,IR,and thermogravimetric analysis.Its crystal structure is of triclinic system,space group P1 with a=12.489(4),b=14.234(5),c=14.484(5),α=82.848(4),β=79.399(4),γ=73.646(4)°,V=2421.2(13) 3,Z=1,Cu 6 C 108 H 78 N 16 O 37,M r=2573.17,D c=1.752 g/cm 3,μ=1.398 mm-1,F(000)=1308,GOOF=1.011,the final R=0.0495 and wR=0.1030 for 5420 observed reflections with I > 2σ(Ⅰ).In 1,four btc 3ligands act as bridges between six neighboring Cu atoms to form an unusual hexanuclear copper cluster.The clusters are further connected by two types of O-H···O and O-H···N hydrogen bonds,generating a three-dimensional supramolecular structure.In addition,intermolecular and intramolecular π-π stacking interactions further consolidate the three-dimensional supramolecular framework of 1.     

Removal of C3F8 Via the Combination of Non-Thermal Plasma, Adsorption and Catalysis

The feasibility of C₃F₈ abatement via combining nonthermal plasma with adsorption and/or catalysis is investigated in this study. In terms of the simultaneous combination of plasma, adsorption and catalysis (CPAC), three different configurations including A/C layer (adsorbent layer prior to catalyst layer), C/A layer (catalyst layer prior to adsorbent layer) and A/C mixture (adsorbent and catalyst are mechanically mixed) are adopted. For all the experimental tests conducted in this study, the gas stream consists of 500 ppm C₃F₈, 2% O₂, and balanced N₂. The experimental results indicate that C₃F₈ removal efficiencies depend on what kind of packing material is adopted (adsorbent, catalyst or both) and how the material is packed within the plasma reactor. The removal efficiencies obtained with different reactors are in the order as: CPAC (A/C layer; AC mixture) > CPA (plasma with adsorbent alone) > CPC (plasma with catalyst alone) > CPAC (C/A layer). The indentified products after treatment include CO₂, CO, N₂O and CF₄. The formation of C₂F₆ is not observed in this study, which is encouraging since the global warming potential of C₂F₆ is actually higher than that of C₃F₈.     

二芳基三嗪类HIV-1逆转录酶抑制剂的分子对接及3D-QSAR研究

对40个二芳基三嗪类HIV-1逆转录酶抑制剂进行了分子对接研究,结果表明,2个疏水性芳香取代基团与结合口袋底部形成的疏水和范德华相互作用、三嗪环母核及其R4取代基与结合位点产生的氢键和静电作用以及R4取代基与袋口形成的空间位阻效应是影响该系列化合物活性的重要因素.根据对接优势构象进行分子叠合和比较分子相似性指数分析(C...     

纳米材料在生物学及医学领域的应用

任何化学物质如金属、半导体、核-壳杂化材料及有机高分子等均可形成纳米材料,由于纳米材料较小的粒径、较大的比表面积,使其具有优异的光学、电学、磁学及催化性能.利用物理、化学、生物学及医学等手段,可以对纳米材料的尺度、粒径分布、形貌、表面性质及带隙等进行调控,从而使其具有特殊的性质及应用.本文就纳米材料在生物学及医学领域包...     

羧甲基淀粉与烷基二甲基苄基氯化铵的相互作用研究

通过电导法、荧光法、粒度法等方法研究了羧甲基淀粉与3种不同碳数烷基二甲基苄基氯化铵之间的相互作用。结果表明,羧甲基淀粉与长链烷基二甲基苄基氯化铵在小于单纯表面活性剂临界胶束浓度（cmc）1～2个数量级的浓度下发生复合,并产生沉淀。当表面活性剂烷基链增加且浓度增大时,表面活性剂长碳链间的疏水作用及与羧甲基淀粉间的疏水作用...     

Colorimetric ��naked-eye�� sensor for anions based on conformational flexible tripodal receptor

A new tripodal receptor for anion sensing based on amide-pyridinium as recognition site and nitro-benzene as signaling unit was designed and successfully synthesized. This receptor showed high selectivity and strong binding affinity toward AcO^? over the investigated anions, especially over H₂PO₄ ^?. Addition of AcO^? induced clear color change of solution from colorless to yellow, realizing the ??naked-eye?? detection. UV?CVis and ¹H NMR experiments indicated the selectivity might origin from the synergistic effects arising from hydrogen bonding, electrostatic interactions and conformational change.     

Seed‐Mediated and Iodide‐Assisted Synthesis of Gold Nanocrystals with Systematic Shape Evolution from Rhombic Dodecahedral to Octahedral Structures

We report the development of a seed‐mediated and iodide‐assisted method for the synthesis of monodisperse gold nanocrystals with systematic shape evolution from rhombic dodecahedral to octahedral structures. Particle growth is complete in 15 min at room temperature, so the process is fast and energy‐efficient. By progressively increasing the volume of KI used in a growth solution while keeping the amount of ascorbic acid added constant, nanocrystals with morphologies that vary from rhombic dodecahedral to rhombicuboctahedral, edge‐ and corner‐truncated octahedral, corner‐truncated octahedral, and octahedral structures were synthesized. The nanocrystals are monodisperse in size and readily form self‐assembled structures on substrates. By simply adjusting the volume of gold seed solution added to a growth solution, particle sizes of the octahedral gold nanocrystals can be tuned with average opposite corner‐to‐corner distances of 42, 48, 54, 60, 68, 93, 107, and 125 nm. In the presence of HAuCl₄, iodide may act as a reducing agent. Variation of its volume in the solution may slightly modulate the reduction rate and affect the final crystal morphology. Intermediate structures collected during crystal growth reveal the presence of many twisted structures that surround a developing nanocrystal core. This nanocrystal growth mechanism and the less important role of surfactant in directing the polyhedral nanocrystal morphology is discussed.     

中国化学物相分析研究的新成就(下)

分两部分介绍了我国化学物相分析近十余年来研究的新成就。第二部分（下）则对物料物质组成的相态与元素(Fe,I,Mn,Mo,Na,P,Re,S,Sb,Se,Si,Sn,Sr,Ti,U和V等)价态分析、赋存状态分析以及非金属矿物相分析等的研究现状,分别予以简要评述。同时对其存在的问题和进一步研究的方向也进行了讨论。引用文献114篇。     

A convenient and efficient H2SO4-promoted regioselective monobromination of phenol derivatives using N-bromosuccinimide

Abstract

A convenient, rapid H₂SO₄-promoted regioselective monobromination reaction with N-bromosuccinimide was developed. The desired para-monobrominated or ortho-monobrominated products of phenol derivatives were obtained in good to excellent yields with high selectivity. Regioselective chlorination and iodination were also achieved in the presence of H₂SO₄ using N-chlorosuccinimide and N-iodosuccinimide, respectively.