Synthesis,Structures, and Antibacterial Activities of Four Similar 1D Metal-organic Polymers with Different Metal Ions

Four similar 1D metal-organic polymers [Cd(impc)₂(H₂O)₂]_n ( 1 ), [Co(impc)₂(H₂O)₂]_n ( 2 ), [Mn(impc)₂(H₂O)₂]_n ( 3 ), and {[Cu(impc)₂] · [jy2H₂O}_n ( 4 ) based on an asymmetric 5-(1H-imidazole-l-yl)-3-pyridinecarboxylic acid (Himpc) were prepared hydrothermally and structurally characterized. According to the frontier molecular orbital (FMOs) calculations, the photoluminescence of 1 should be assigned as the n→π* transition. The antibacterial properties of 1 – 4 were studied. 1 exhibited good antibacterial activities towards B. subtilis and S. aureus with the smallest MIC value of 2 μg · mL^–1. Compared with Co^II, Mn^II and Cu^II ions, the polymer with Cd^II ion has the better antibacterial activity. Our work preliminarily reveals that the metal ions also have different influences on antibacterial activities of complexes.     

Alkali Metal Compounds of Hydroquinone: Synthesis and Crystal Structure

A number of novel routes to the alkali metal compounds of hydroquinone M₂[p‐C₆H₄O₂] (M = Li, Na, K, Rb, Cs) and M[p‐C₆H₄O(OH)] (M = K, Rb, Cs) have been synthetically explored. The selective synthesis of the alkali 4‐hydroxyphenolates and 1, 4‐phenylenediolates is based on optimized reaction conditions (solvents, temperatures). All compounds were structurally characterized by means of powder X‐ray diffraction using Rietveld profile refinement including C—C and C—O bond distance restraints. The atomic arrangement of M₂[p‐C₆H₄O₂](M = Na, K) (tetragonal, space group: P4₂/ncm) is characterized by infinite pillars of [M₂^[3]O₂^[3]]‐units along the c axis connected by [p‐C₆H₄O₂]^2—‐anions with stacking direction along c. The coordinatively unsaturated alkali metals, surrounded by three oxygen atoms, exhibit symmetrical (K) as well as asymmetrical (Na) interactions with the phenylene rings. M[p‐C₆H₄O(OH] (M = K, Rb) (tetragonal, space group: P4/n) forms hydrogen‐bridged linear chains of [p‐C₆H₄O(OH)]^—‐anions along the c direction. The phenylene planes of neighboring chains have an almost orthogonal arrangement while the interchain planes are parallel. K and Rb are fourfold coordinated by two different oxygen coordination spheres.     

Studies on Synthesis of a Cycloheptapeptide and Effects of Different Metal Ions on the Cyclization

ＩｎｔｒｏｄｕｃｔｉｏｎＣｙｃｌｉｃｐｅｐｔｉｄｅｓ ,ｗｈｉｃｈａｒｅｃｏｎｓｔｒａｉｎｅｄｃｏｎｆｏｒｍａ ｔｉｏｎａｌｌｙａｎｄｍｏｒｅｒｅｓｉｓｔａｎｔｔｏｐｒｏｔｅａｓｅｄｉｇｅｓｔｉｏｎｓｔｈａｎｔｈｅｉｒｌｉｎｅａｒｐｒｅｃｕｒｓｏｒｓ ,ｈａｖｅｂｅｅｎｏｆｇｒｅａｔｉｎｔｅｒｅｓｔａｓｓｙｎｔｈｅｔｉｃｔａｒｇｅｔｓｂｏｔｈａｓｐｏｔｅｎｔｉａｌｄｒｕｇｌｅａｄｓａｎｄａｓｍｏｄｅｌｓｆｏｒｃｏｎ ｆｏｒｍａｔｉｏｎａｌａｎａｌｙｓｉｓ .1 4 Ｃｕｒｒｅｎｔｍｅｔｈｏｄｓｆｏｒｓｙｎｔ…     

Theoretical Studies on Property and Structure of Silacyclohexane-based Liquid Crystal Compounds

11NTRoDUCTIONSilacyclohexane-basedcompoundisanewkindofliquidcrystalcompoundswhichcontainsasiliconatominthemoleculesoastoimprovethecharacteristicsforuseasaliquidcrystalsubstancet13.Todate,fewexperimentalstudiesandtheoreticalresearcheshavebeenperformedonthesecompounds.Inouropinion,thetheQreticalpredictionofmolecularstructuresisprobablyoneofthemostimportantsubjectsforunderstandingtheirproperties.Thispaperdealswiththemoleculargeometries,elec-.ltronicstructures,heatsofformationanddipolemomentso…     

二喹唑啉二硒醚类化合物的合成及抑菌活性研究

以邻氨基苯甲酸或取代邻氨基苯甲酸为起始原料,应用电子等排原理设计并合成了一系列二喹唑啉二硒醚类化合物,化合物均经IR、~1H NMR、~(13)C NMR和元素分析进行结构确证。采用体外生长速率法测定了目标化合物的抑菌活性,结果表明,化合物1b、1c、1d、1h、1i和1j对小麦赤霉病原菌、辣椒枯萎病原菌、苹果腐烂病原菌、半夏立枯病原菌、水稻纹枯病原菌、油菜菌核病原菌、黄瓜灰霉病原菌、马铃薯晚疫病原菌、苹果炭疽病原菌等9种测试病原菌具有良好的抑菌活性。而且,化合物1b在药剂浓度为50μg/m L时抑菌活性强于商品化的阳性对照药剂恶霉灵。     

PMBP缩氨基酚的合成、晶体结构及抑菌活性

利用1－苯基－3－甲基－4－苯甲酰基－5－吡唑啉酮（PMBP）与邻、间、对氨 基酚合成了三种PMBP缩氨基酚Schiff碱，并进行了结构表征。PMBP缩邻氨基酚的X 射线衍射分析测定结果表明，该缩合反应是通过质子转移形式，形成了烯胺酮式结 构。抑菌活性测定结果表明它们对革兰氏阳性金黄色葡萄球菌和革兰氏阴性大肠杆 菌有较强的抑制作用。     

含硫代酰胺新三唑类化合物的合成、结构表征及生物活性研究

以三唑、芳香基苯乙酮和异硫氰酸苯酯为原料合成了4个含硫代酰胺的芳香三唑类化合物, 对四个化合物进行了IR, EA, ¹H NMR和MS谱学表征. 培养了1-[1-苯胺硫化碳-1-(4-氟苯甲酰基)甲基]-1,2,4-三唑的单晶. 同时对这四个化合物进行了初步的生物活性测试, 结果表明它们具有一定的杀菌活性.     

呋喃酰腙及其镍、锰配合物的合成与晶体结构及抑菌活性

通过2-呋喃甲醛与4-甲氧基苯甲酰肼缩合,得到一种新型的希夫碱配体2-呋喃甲醛缩-4-甲氧基苯甲酰腙(HL),将HL与Ni(NO3)2·6H2O、MnCl2·4H2O分别在乙醇与丙酮的混合溶剂中反应,采用溶剂挥发获得配体单晶、不同构型的新型配合物NiL2和Mn(HL)2Cl2单晶。采用元素分析、红外光谱、核磁共振、X-射线单晶衍射对HL、NiL2和Mn(HL)2Cl2进行表征,结构分析表明HL属于三方晶系,空间群R3,晶胞参数a=2.442(2)nm,b=2.442(2)nm,c=1.135 4(10)nm,γ=120°,Z=18。NiL2和Mn(HL)2Cl2均属于单斜晶系,空间群P21/n和P21/c。NiL2属于近似平面四方构型,晶胞参数a=1.206 7(8)nm,b=0.577 4(4)nm,c=1.841 8(13)nm,β=107.122(11)°,Z=2;Mn(HL)2Cl2属于扭曲八面体构型,晶胞参数a=0.915 5(4)nm,b=0.721 7(4)nm,c=2.033 6(9)nm,β=96.047(9)°,Z=2。用琼脂扩散法测定了配体和配合物对大肠杆菌、金黄色葡萄球菌、绿脓杆菌的抑制活性,结果显示NiL2对金色葡萄球菌有显著的抑制作用。     

呋喃酰腙及其镍、锰配合物的合成与晶体结构及抑菌活性

通过2-呋喃甲醛与4-甲氧基苯甲酰肼缩合,得到一种新型的希夫碱配体2-呋喃甲醛缩-4-甲氧基苯甲酰腙(HL),将HL与Ni(NO₃)₂·6H₂O、MnCl₂·4H₂O分别在乙醇与丙酮的混合溶剂中反应,采用溶剂挥发获得配体单晶、不同构型的新型配合物NiL₂和Mn(HL)₂Cl₂单晶。采用元素分析、红外光谱、核磁共振、X-射线单晶衍射对HL、NiL₂和Mn(HL)₂Cl₂进行表征,结构分析表明HL属于三方晶系,空间群R3,晶胞参数a=2.442(2)nm,b=2.442(2)nm,c=1.1354(10)nm,γ=120°,Z=18。NiL₂和Mn(HL)₂Cl₂均属于单斜晶系,空间群P2₁/n和P2₁/c。NiL₂属于近似平面四方构型,晶胞参数a=1.2067(8)nm,b=0.5774(4)nm,c=1.8418(13)nm,β=107.122(11)°,Z=2;Mn(HL)₂Cl₂属于扭曲八面体构型,晶胞参数a=0.9155(4)nm,b=0.7217(4)nm,c=2.0336(9)nm,β=96.047(9)°,Z=2。用琼脂扩散法测定了配体和配合物对大肠杆菌、金黄色葡萄球菌、绿脓杆菌的抑制活性,结果显示NiL₂对金色葡萄球菌有显著的抑制作用。     

新型螺嘧啶三酮类化合物的合成及其抗菌活性

根据生物电子等排原理,以2,3,4-三氟苯甲酸为原料,经硝化、还原、氧化和亲核取代反应制得中间体2-(2,3,4-三氟-5-硝基苯)-1,3-二氧戊环（4）; 4分别经7步反应合成了12个新型的苯并噁唑酮或苯并咪唑酮螺嘧啶三酮类化合物(12a~12f, 19a~19f),其结构经¹H NMR, ¹³C NMR和ESI-MS表征。采用CLSI标准研究了12和19对甲氧西林耐药金黄色葡萄球菌（A）、甲氧西林耐药表皮葡萄球菌(B)、青霉素耐药肺炎链球菌(C)和化脓性链球菌（D）的体外抗菌活性。结果表明：12的抗菌活性优于19,其中12a的抗菌活性最好,对A~D的MIC值分别为8~16 μg·mL^-1。     

新型桃金娘烯醛基双酰胺-噻二唑化合物的合成及其抗真菌活性

以α-蒎烯为起始原料,经氧化制得桃金娘烯酸（3）;脂肪族二酸在POCl₃作用下与氨基硫脲经脱水环合制得脂肪族双噻二唑（4a~4h）; 4a~4h分别与3经脱水反应合成了8个新型的桃金娘烯醛基双酰胺噻二唑化合物（5a~5h）,其结构经¹H NMR, ¹³C NMR, IR和ESI-MS表征。抗真菌活性测试结果表明,在用药量为50 μg·mL^-1时,5a~5h对黄瓜枯萎病菌、花生褐斑病菌、苹果轮纹病菌、番茄早疫病菌和小麦赤霉病菌均有一定的抑制作用,其中桃金娘烯醛-辛二酸基双酰胺-噻二唑(5f)对苹果轮纹病菌的抑制率为60.3%,桃金娘烯醛-丁二酸基双酰胺-噻二唑(5b)和桃金娘烯醛-癸二酸基双酰胺-噻二唑(5h)对小麦赤霉病菌的抑制率分别为52.8%和54.4%。     

以三乙烯二胺为配体的过渡金属配位化合物合成、晶体结构及荧光性质研究

采用混合溶剂热法合成出一系列以三乙烯二胺（简写dabco）为配体的新型过渡金属配位化合物[CdCl₃H（dabco）₂]（1）、[CoCl₃Hdabco]（2）、[NiCl₂（H₂O）₃Hdabco]Cl（3）和[CuCl₃H（dabco）₂]Cl·H₂O（4）。对该系列化合物进行了元素分析、红外光谱以及热重分析表征,并通过X射线单晶衍射分析确定出晶体结构。结构解析表明：化合物1具有一维直链状分子结构;化合物2具有一维左螺旋状分子结构,化合物3具有一维右螺旋链状分子结构;化合物4具有二维平面网格状分子结构。对该系列化合物的荧光光谱研究结果表明,化合物1~4均具有较好的荧光性质。     

以三乙烯二胺为配体的过渡金属配位化合物合成、晶体结构及荧光性质研究

采用混合溶剂热法合成出一系列以三乙烯二胺(简写dabco)为配体的新型过渡金属配位化合物[CdCl3H(dabco)2](1)、[CoCl3Hdabco](2)、[NiCl2(H2O)3Hdabco]Cl(3)和[CuCl3H(dabco)2]Cl·H2O(4)。对该系列化合物进行了元素分析、红外光谱以及热重分析表征,并通过X射线单晶衍射分析确定出晶体结构。结构解析表明:化合物1具有一维直链状分子结构;化合物2具有一维左螺旋状分子结构,化合物3具有一维右螺旋链状分子结构;化合物4具有二维平面网格状分子结构。对该系列化合物的荧光光谱研究结果表明,化合物1~4均具有较好的荧光性质。     

Syntheses,Crystal Structures and Antibacterial Activities of Two Heterocyclic Schiff Base Compounds

Two heterocyclic Schiff bases were synthesized via the condensation reactions of primary amines with carbonyl compounds. 2-[(4-pyridylmethylene)-amino] phenol(compound 1) was synthesized by the interaction of 4-pyridinecarboxaldehyde with o-aminophenol in ethanol solvent; N,N‘-bis(3-(furan-2-yl)allylidene)benzene-1,4-diamin(compound 2) was synthesized by the interaction of 3-(2-furyl)acrolein with p-phenylenediamine in ethanol medium. The compounds were characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction. Compound 1(C12H10N2O) crystallizes in the monoclinic system, space group P21/c with a = 7.0771(7), b = 7.2820(7), c = 19.849(2),β= 96.3390(10)°, V = 1016.66(17) ?3, Z = 4, Mr = 198.22, Dc = 1.295 g/cm3, F(000) = 416, GOOF = 1.060, μ= 0.085 mm-1, the final R = 0.0371 and wR = 0.0929 for 1497 observed reflections with I 2σ(I). Compound 2(C20H16N2O2) crystallizes in the orthorhombic system, space group Fdd2 with a = 26.344(15), b = 48.50(3), c = 5.293(3), V = 6764(7) ?3, Z = 16, Mr = 316.35, Dc = 1.243 g/cm3, F(000) = 2656, GOOF = 1.043, = 0.081 mm-1, the final R = 0.0526 and wR = 0.1267 for 2059 observed reflections with I 2σ(I). 1 and 2 molecules are connected through hydrogen bonds to generate a 2D network and a 1D chain structure, respectively. The preliminary antibacterial activity results showed that the title compounds display excellent antibacterial activities to Escherichia coli, Staphylococcus aureus and Bacillus subtilis.     

Synthesis and Antibacterial Activities of Pyran Annulated Heterocyclic Compounds

Two novel pyran annulated heterocyclic compounds(1 and 2) were synthesized and characterized via IR, 1H NMR and H RMS. The structure of compound 1 was verified by single-crystal X-ray diffraction. The in vitro antibacterial activities of the two compounds against Staphylococcus aureus(S. aureus ATCC 29213), methicillin-resistant S. aureus(MRSA XJ 75302), vancomycin-intermediate S. aureus(Mu50 ATCC 700699), and USA 300(Los Angeles County clone, LAC) were evaluated by observing the minimum inhibitory concentration.     

Green Synthesis,Antibacterial, and Antifungal Activities of 1,3,4‐Oxadiazines

1,3,4‐Oxadiazine derivatives were prepared via green and more sustainable procedure employing Grinding Chemistry. The green context of the procedure was evaluated by comparing its components with that of the conventional one. The antibacterial and antifungal activities of all the synthesized compounds were evaluated against some bacterial and fungal strains and showed promising results. The structures of the resulted compounds were identified and confirmed by elemental analysis and mass, ¹H‐NMR, and ¹³C‐NMR spectroscopies.     

Reusable Nano-Zirconia-Catalyzed Synthesis of Benzimidazoles and Their Antibacterial and Antifungal Activities

In this article, a zirconia-based nano-catalyst (Nano-ZrO₂), with intermolecular C-N bond formation for the synthesis of various benzimidazole-fused heterocycles in a concise method is reported. The robustness of this reaction is demonstrated by the synthesis of a series of benzimidazole drugs in a one-pot method. All synthesized materials were characterized using ¹HNMR, ¹³CNMR, and LC-MS spectroscopy as well as microanalysis data. Furthermore, the synthesis of nano-ZrO₂ was processed using a standard hydrothermal technique in pure form. The crystal structure of nano-ZrO₂ and phase purity were studied, and the crystallite size was calculated from XRD analysis using the Debye–Scherrer equation. Furthermore, the antimicrobial activity of the synthesized benzimidazole drugs was evaluated in terms of Gram-positive, Gram-negative, and antifungal activity, and the results were satisfactory.     

新型丙烯海松酸基双噻二唑化合物的合成及其抗真菌活性

松香与丙烯酸经Diels-Alder环加成反应制得丙烯海松酸(1); 将1转化为双酰氯后与2-氨基-5-取代苯基-1,3,4-噻二唑经-N-酰化反应合成了8个新型的丙烯海松酸基双噻二唑化合物(4a~4h),其结构经¹H NMR, ¹³C NMR, IR和元素分析表征。抗真菌活性测试结果表明,在用药量为50 μg·mL^-1时,4d(R=m-Cl)对苹果轮纹病菌、花生褐斑病菌和小麦赤霉病菌的抑制率分别为66.9%, 57.8%和52.9%。