两个新颖的铜-二氮杂菲和钼(磷,硒)杂多酸组成的有机-无机杂合化合物:合成和晶体结构

水热法合成了两个新颖的有机-无机杂合化合物{[Cu(o-phen)(H2O)]3[Mo5P2O23]}?4.5H2O(1)和{[Cu(o-phen)-(H2O)]2[Mo5Se2O21]}(2)(o-phen=1,10-phenanthroline).通过红外光谱和单晶X射线衍射分析确定了它们的结构.结构分析表明两个分子结构中的相邻[Mo5P2O23]6-或[Mo5Se2O21]4-阴离子均由两个桥式的[Cu(o-phen)(H2O)]单元连接成分别为风车状和双侧桥联状一维聚合链,化合物1的双金属链又通过若干链间氢键形成层状堆积结构.讨论了钼杂多酸阴离子和第二种金属-配体亚单元阳离子之间的相互匹配关系.

高乌甲素缩醛类化合物的合成及抗肿瘤活性研究

为寻找抗肿瘤活性好且毒性小的天然产物先导化合物,以高乌甲素与芳香醛杂合化合物为原料,合成了一系列未见文献报道的高乌甲素缩醛类化合物.通过~1H NMR、^(13)C NMR与HRMS对合成的化合物进行了结构表征,并用MTT法测定了所合成高乌甲素缩醛类化合物对人肝癌细胞(HepG2),人肺癌细胞(A-549)及人结肠癌细胞(HCT-8)的细胞毒性.结果显示合成的化合物对不同的肿瘤细胞株表现出不同程度的抑制作用,为高乌甲素的衍生化开发利用提供理论依据.

β-卡波林生物碱flazin与冬凌草甲素杂合衍生物的合成及其抗肿瘤活性

基于β-卡波林生物碱flazin和冬凌草甲素的抗肿瘤活性及分子结构特点,对其进行结构修饰,合成了一系列类似物,并利用活性官能团拼接原理,将二者进行杂合获得杂合衍生物.采用改良MTT法研究了杂合衍生物对肿瘤细胞增殖的影响,初步确定了具有良好细胞毒性的活性分子,为获得更为低毒、高效的抗肿瘤先导化合物提供了线索.

聚酮合酶和非核糖体多肽合成酶杂合体研究进展

非核糖体多肽合成酶(Nonribosomal peptide synthases,NRPSs)和聚酮合酶(Polyketide synthases,PKSs)是两类结构较复杂的多功能巨型酶,在非核糖体多肽类化合物(Nonribosomal peptide,NRP)和聚酮类化合物(Polyketide,PK)的合成中至关重要。该文的目的是希望可以为研究NRPS和PKS的工作者提供帮助。文章论述了NRPS和I型PKS的结构,简单介绍了两者的作用机理;另外,伴随生物信息技术和测序技术手段的发展,以及PKS和NRPS基因簇信息的不断完善,使得人们对PKS-NRPS杂合的机制有了清晰的认识,越来越多的PKS-NRPS杂合化合物被发现,而PKS-NRPS的杂合极大地丰富了组合生物合成的领域;还综述了近年来新发现的PKSNRPS杂合的化合物。资料显示许多微生物体内都有很多PKS-NRPS杂合的基因簇,然而在标准实验条件下,由于缺少一定的刺激,这些基因簇是不表达的,但如果利用一定的技术手段,也能够使这些沉默的基因簇表达,所获得的PKS-NRPS杂合化合物通常都会有抗菌或抗肿瘤或抗病毒的作用,意义重大。总的来说,PKS和NRPS是两种结构复杂、功能重要的酶,可用于研制抗生素、抗真菌剂、抗癌和抗肿瘤药物等,是当前药物领域研究的热点,希望这些新的两者杂合的化合物能够带来医药研究领域的新突破。

Synthesis and Crystal Structure of Methyl(7,7-Dimethyl-2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-benzo-[b]-pyran-3-yl)Carboxylate

The title compound methyl (7,7-dimemyl-2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-benzo-[b]-pyran-3-yl) carboxylate (C19H20ClNO4, Mr = 361.81) was synthesized and crystallized. The crystal belongs to triclinic, space group P 1 with a = 8.519(2), b = 10.346(2), c = 11.481(3) A, α = 108.16(1), β = 107.78(2), γ= 91.83(2)°, Z = 2, V = 906.5(3) A3, Dc = 1.326 g/cm3, μ(MoKα) = 0.234 mm-1, F(000) = 380, R = 0.0467 and wR = 0.1270 for 3142 observed reflections (I > 2σ(I)). X-ray analysis reveals that the C(7), C(8), C(9), O(1), C(10) and C(11) atoms form a six-membered ring which adopts a boat conformation. In the ring, the distances of C(8)-C(9) and C(10)-C(11) are 1.332(3) and 1.357(3) A, respectively, which indicates that they are C=C double bonds. Another six-membered ring (C(8)-C(9)-C(15)-C(14)-C(13)-C(12)) adopts the half-chair confonnation. In addition, there are intermolecular hydrogen bonds in the crystal structure.

Synthesis of Some More New Sulfur-containing Heterocyclic Compounds as Biocidal Agents- Part II： Synthetic of 2-thioxo thiazole/thia diazole and 3-thioxo-1,3,4-triazole Derivatives

Some new 2-thioxo thiazole, 2-thioxo 1,3,4- thiadiazole and 3-thioxo-1,3,4-triazole derivatives （3-17） have been synthesized through ring closure reactions ofdithioic formic acid hydrazones 2 with functional reagents in different medium. Former structures of the products have been established by the help of elemental and spectral analysis. Most of the obtained targets showed a moderate activity towards some microbes in comparison with two antibiotics Pipercillin and Mycostatine.

Synthesis and Mollucicidal Activity of Some New Bicyclic and Polycyclic Pyrimidine Derivatives

Hydrazinolysis ofethylthiopyrimidine derivative 2 gave 2-hydrazinopyrimidine 3 which used as a convenient precursor for the synthesis of pyrazolylpyrimidines, hydrazones and pyrimidotriazines. Also, treatment of 2 with ethyl chloroacetate yielded N^-carbethoxymethyl-2-ethylthio-pyrimidine 15, which on reaction with ethyl carbazate and hydrazine hydrate afforded pyrimidotriazine and imidazopyrimidine, respectively. Chlorination of 2 using phosphorous oxycbloride yielded 4-chloropyrimidine 18, which reacted with some heterocyclic compounds having vicinal amino cyano groups to give some new polynuclear heterocyclic system. Also, the effect of some active methylene compounds on 18 was also studied. Some of the newly synthesized compounds were tested as mollucicidal agents against Biomphlaria alexandrina snails that caused intestinal bilharzias, the national problem in Egypt.

Ionic polymer metal composites actuators with enhanced driving performance by incorporating graphene quantum dots

In order to further improve the driving performance of ionic polymer metal composites(IPMCs),Nafion/graphene quantum dots(GQDs)hybrid membranes incorporating GQDs with various contents of 0,0.1 wt.%,0.5 wt.%,1.0 wt.%,2.0 wt.%and 4.0 wt.%were fabricated by solution casting,and then IPMCs were manufactured by electroless plating.The water contents and elastic moduli of the hybrid membranes were tested.The morphology characteristics of the hybrid membranes and the IPMCs were observed,and the current,AC impedance,blocking force and displacement of the IPMCs were measured.The results show that the elastic modulus of the hybrid membranes decreases,the water content increases,and the actuation performance of the IPMCs improves significantly after the addition of GQDs.IPMC with 1.0 wt.%GQDs exhibits the best driving property.Compared with the IPMC without GQDs,the working current,ion conductivity,blocking force,and tip displacement increase by 94.67%,311.11%,53.66%,and 66.07%,respectively.These results lay a solid foundation for the preparation of IPMCs with high performance,and further broaden their applications in biomedical devices and bionic robots.

2-Nitrobenzofuran as Dienophile in Polar Diels-Alder Reaction： A Simple Dibenzofurans Synthesis

2-nitrobenzofuran is studied as dienophile in polar thermal Diels-Alder reactions with normal electron demand using several structurally different dienes. A very strong electron-acceptor group, such as nitro group, enhances the dienophilic character of these heterocyclic compounds and owing to the fact that this substituent is easily extruded under thermal conditions this reaction sequence becomes a simple method of organic compound＇s families with heteroatom rings preparation. Part of this work is specifically concerned with theoretical studies. The global and local electrophilicity and nucleophilicity indexes were calculated for the dienophile and dienes used in this work. A concise synthesis of dibenzofurans has been development via cycloaddition reactions.

Crystal Structure of Chlorinate (N,N-1,3-Dibenzyl-benzimidazole) Hydrate

The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9.320(2), b = 9.850(2), c = 11.510(2) ? = 68.75(3), = 80.57(3), = 70.20(3)? C21H19ClN2H2O, Mr = 352.85, V = 925.6(3) 3, Z = 2, Dc = 1.266 g/cm3, F(000) = 372, = 0.217 mm-1, R = 0.0452 and wR = 0.1372. The total reflections were 3462 and 3244 (Rint = 0.0206) were independent, of which 1666 were observed with I > 2s(I). The planes of benzyl group are nearly perpendicular to each other. The water molecules with Cl-anions and C(8) atom are involved in hydrogen bonds and interactions, and - stacking interaction exists obviously between the adjacent phenyl and imidazole rings. The title complex forms a three-dimensional network throughout the structure through these hydrogen bonds and interactions.

Hydrothermal Synthesis and Structure of a Novel Molybdenum Phosphate: Na_4(H_3O) [Na(HPO_4)_2(PO_4)_4Mo_(18)O_(49)]·16H_2O

The title compound Na5H37P6Mo18O90 1 (Mr=1658) was synthesized under hydrothermal condition and its crystal structure was determined by X-ray diffraction. It crystallized in the monoclinic system, space group P21 with a =14.957(1), b =16.535(1), c = 16.159(1)?β=108.586(2)°, V=3787.85?, Dc =3.040g/cm3, Z=2,μ(MoK)=3.17mm-1, F(000)=3242. The final R and wR are 0.0500 and 0.1535 for 6643 observable reflections with I≥2?I), respectively. The result of structure analysis indicates that [Na(HPO4)2(PO4)4-Mo18 O49]5-anions 2 in 1 has the symmetry of C2V, in which each MoVIO6 octahedron is connected to adjacent PO4 tetrahedra through corner-sharing and to adjacent octahedra through edge-sharing or corner-sharing.

Synthesis of Some More New Sulfur Compounds Bearing Heterocyclic Systems as Biocidal Agents - Part I ： Synthetic of 2-Thioxo Thiadiazinone Derivatives

Some more new sulfur compounds bearing heterocyclic systems mainly 2-thioxo-1,3,4-thiadiazinone derivatives 2-7 and 3-thioxo-1,2,4-triazole derivatives 9 have been synthetic via alkylation, acylation and condensation of dithioic formic acid hydrazide 1 through ring closure reactions with α,β-bi functional groups compounds. Most of the obtained target showed a highly activity towards some microbial in compare with two references antibiotics, Pipercillin and Mycostatine. The structures of the products have been established from their elemental and spectral analysis.

SYNTHESIS OF A NOVEL CHELATING RESIN WITH HETEROCYCLIC RING OF S AND N

By the reaction of poly(bromoacetyl styrene) (EBPS) with thiaurea (TU), a kind of novel chelating resin with heterocyaclic ring of sulfur and nitrogen, poly[4-(2-amino)thiazoleyl-4- vinylbenzene], was synthesized. Its structure was characterized by FTIR and elemental analysis. The factors which have influence on the reaction such as reaction time, solvents, and molar ratio of reactants were investigated.

Synthesis and Molecular Structure of 5, 5-Dimethyl-2- (4' -methoxy)phenyl-1, 3, 2- thiazaphospholidine-4-thione 2-sulfide

A five-membered phosphoroheterocycle, 5, 5-dimethyl-2-(4 -methoxy)phenyl-1, 3, 2-thiazaphospholidine-4-thione 2-sulfide, has been prepared by the reaction of Lawessons reagent (LR) with -hydroxyl isobutyronitrile, and its crystal structure was determined by X-ray diffraction method. The title compound (C11H14NOPS3) is triclinic with space group P , a= 6.8418 (9), b= 10.5467 (1), c= 11.5670 (2)? = 114.851 (2),β= 100.291 (2),γ= 91.390 (3)? V= 740.7 (2) 3, Z= 2, Dc= 1.360 g/cm3, λ= 0.71073 ? μ(MoK?= 0.59 mm-1, F(000)= 316. The Structure was refined to R= 0.0476, wR= 0.1272 for 2549 unique reflections with I >2σ(I). It contains a phenyl ring and a 5-membered phosphoroheterocycle with the dihedral angle of 87.06 (9)? The five atoms (P (1), N (1), C (1), C (2) and S (2)) of the heterocycle are nearly coplanar. In view of the unit cell it can be concluded that there exists an intermolecular hydrogen bond in the form of Sa┈HN (a: X, Y+1,Z+1). The existence of dpлbond between P (1) and N (1) was found as well as unsaturated property of N (1)C (1) moiety.

Synthesis and Antimicrobial Activity of Heterocyclic Compounds Containing Chromene Ring

Synthesis of some new compounds containing chromene ring are described in this work. They were synthesized in moderate to good yield, started with Condensation of 7-hydroxy-4-methylcoumarin （1） with ethyl bromoacetate furnishes ethyl-2-（4-methyl-2-oxo-2H-chromen-7-yloxy） acetate （2）. The structures of all the new compounds were confirmed using IR, 1H-NMR spectra and micro analysis, selected members of the synthesized compound were screened for antimicrobial activity. They have shown a wide range of activity from one completely inactive compound to medium active ones.

Lanthanide-catalyzed cyclocarbonylation and cyclothiocarbonylation: a facile synthesis of benzannulated 1,3-diheteroatom five- and six-membered heterocycles

La[N(SiMe3)2]3 proves to be an efficient catalyst system for the cyclocarbonylation of 1,2-disubstituted benzenes with isocyanates. In this approach, aryl/alkyl isocyanates react with o-phenylenediamine, o-aminophenol, o-aminothiophenol, catechols and anilines ortho-substituted by CH2NH2 and CONH2 to form, respectively, the corresponding benzimidazolones, benzoxazolones, benzothiazolones, benzodioxolones, 3,4-dihydroquinazolin-2(1H)-one, and quinazolinediones. These results represent the first example of lanthanide-catalyzed carbonylation. This methodology is also applicable for the preparation of various benzannulated 1,3-diheteroatom cyclic thioketones starting from aryl/alkyl isothiocyanates or CS2 in good to excellent yields. Based on the results of experiments performed using an o-aminobenzamido dianion lanthanide complex, a general mechanism, involving the tandem reaction of two lanthanide-ligand bonds with one heterocumulene molecule, is proposed as well.

Interface Characteristics of Wood-hybrid Composites

In order to understand the current interface characteristics of wood-hybrid composites, this paper starts off from the concept of composite interface and general theory of interface form, then the inner-surface and microstructure of wood and the interface characteristics of composites, such as wood- inorganic, wood- plastic and wood- metal made by electroless plating technique, are concluded and discussed in detail. Meanwhile, on the basis of that, some points of view about how to develop the wood-hybrid composites interface research in the future are also proposed.