Synthesis and characterization of a methacrylate polymer with side chain ketone and its derivatives

A new type of methacrylate monomer,2-(4-benzoylphenoxy)-2-oxoethyl methylacrylate(BOEMA) was synthesized.The radical homopolymerization of BOEMA was performed at 65℃in a 1,4-dioxane solution with benzoyl peroxide as an initiator.The oxime and thiosemicarbazone derivatives of poly[2-(4-benzoylphenoxy)-2-oxoethyl methylacrylate]poly(BOEMA) were prepared with hydroxylamine hydrochloride,and thiosemicarbazone hydrochloride, respectively.The monomer and its homopolymer were characterized with Fourier transform infrared and NMR techniques. The thermal stabilities of poly(BOEMA) and its derivatives were investigated with thermogravimetric analysis and differential scanning calorimetry.The ultraviolet stability of the polymers was compared.The antibacterial and antifungal effects of the monomer and the polymer and its derivatives were also investigated on various bacteria and fungi.The activation energies of the thermal degradation of the polymers were calculated with the Ozawa and Kissinger methods.     

PREPARATION AND PROPERTIES OF MACRO-POROUS CHELATE RESINS OF CROSSLINKED POLYSTYRENE BEARING DITHIOCARBAMATE GROUPS

The title resins (DTC resins) with high adsorption capacity were prepared. The influences of various reaction conditions of amination and dithiocarboxylation were examined. The adsorption capacities of the produced DTC resin for Hg~(2 ), Cu~(2 ), Zn~(2 ) and Cd~(2 ) are 4.40, 2.44, 1.77 and 1.36 mmol/g, respectively. It is highly effective in collecting traces of heavy metal ions in water over a wide pH range. The conversion of the functional groups were confirmed by the IR-spectra and elementary. analysis.     

Two new β-carboline-type alkaloids from Stellaria dichotoma var.lanceolata

Two new β-carboline-type alkaloids,dichotomine K(1) and dichotomine L(2),were isolated from the roots of Chinese medicinal plant Stellaria dichotoma L.var.lanceolata Bge.Structures of 1 and 2 were determined on the basis of chemical and spectroscopic means.     

A New Kind of Void Soap-free P（MMA-EA-MAA） Latex Particles

Soap-flee P(MMA-EA-MAA) particles with narrow size distribution were synthesized by seeded emulsion polymerization of methyl methacrylate (MMA), ethyl acrylate (EA) and methacrylic acid (MAA), and large voids inside the particles were generated by alkali posttreatment in the presence of 2-butanone. Results indicated that the size of void and theparticle volume were related with the amount of 2-butanone. The generation mechanism of voids was proposed.     

Two New ent—Kauranoids from Isodon sculponeata

Two new ent-kauranc dierpenoids,sculponcatins L(1) and M (2) ,were isolated from the EtOAc extract of Isodon sculponeata.Their structures,were clucidated by spectroscopic cvidences.The cytotoxicities of 1 and 2 against human tumor cells k562 and T24 were tested.     

Synthesis,characterization and thermal stability of novel carborane-containing epoxy novolacs

Carborane bisphenol novolacs(3 and 4) were synthesized in the presence of acid catalyst from carborane bisphenols(5 and 6) and formaldehyde. Further epoxidization of carborane bisphenol novolacs with epichlorohydrin gave carborane bisphenol epoxy novolacs(1 and 2). The molecular weight and epoxy value of obtained resins were determined using the molecular weight of their precursors. The epoxy values of 1 and 2 were 0.48 and 0.52 respectively, higher than the maximum theoretical epoxy value(0.45) of difunctional carborane bisphenol epoxy resins. FTIR and NMR were utilized to characterize 1 and 2. The curing behaviors were also studied by DSC and the optimized curing conditions were obtained.TGA analysis indicated that carborane moiety could shield its adjacent organic structures against initial decomposition. On the other hand, B―H on carborane cage could react with oxygen to form a three-dimensional network linked by B―O―B and B―C bonds, which further blocked the movement of formed radicals and thus the degradation process was inhibited.     

QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neuraminidase Inhibitors Using HQSAR, Topomer CoMFA and CoMSIA

In order to understand the chemical-biological interactions governing their activities toward neuraminidase (NA), QSAR models of 28 thiazolidine-4-carboxylic acid derivatives with inhibitory influenza A virus were developed. The obtained HQSAR (hologram quantitative structure activity relationship), Topomer CoMFA and CoMSIA (comparative molecular similarity indices analysis) models were robust and had good exterior predictive capabilities. Moreover, QSAR modeling results elucidated that hydrogen bonds highly contributed to the inhibitory activity, then electrostatic and hydrophobic factors. Squared multiple correlation coefficients (R2) of HQSAR, Topomer CoMFA and CoMSIA models were 0.994, 0.978 and 0.996, respectively. Squared cross-validated correlation coefficients (Q2) of HQSAR, Topomer CoMFA and CoMSIA models were in turn 0.951, 919 and 0.820. Furthermore, squared multiple correlation coefficients for the test set (R2test) of HQSAR, CoMFA and CoMSIA models were 0.879, 0.912 and 0.953, respectively. Squared cross-validated correlation coefficients for the test set (Q2ext) of HQSAR, Topomer CoMFA and CoMSIA models were 0.867, 0.884 and 0.899, correspondingly.     

Syntheses and characterizations of oligo(azomethine ether)s derived from 2,2′-[1,4-enylenebis (methyleneoxy)]dibenzaldehyde and 2,2′-[1,2-phenylenebis (methyleneoxy)]dibenzaldehyde

The oligo(azomethine ether)s were synthesized via polycondensation of alkyl diamines with aromatic dialdehydes. Two series of dialdehydes,namely 2,2’-[l,2-phenylenebis(methyleneoxy)]dibenzaldehyde[2,2’-l,2-(PBMODB)]and 2,2’- [l,4-phenylenebis(methyleneoxy)]dibenzaldehyde[2,2’-l,4-(PBMODB)]were prepared from the condensation reactions of salicylaldehyde with o-xylenedibromide and /7-xylenedibromide,respectively.The structures of dialdehydes and oligomers were determined by FT-IR,’ H-NMR and 13C-NMR.The thermal analyses of oligomers were conducted by DSC and TG/DTA techniques,respectively.Size exclusion chromatography(SEC) technique was also used to determine molecular weights and molecular weight distributions of oligomers.Electrochemical properties of the synthesized products were investigated.     

PREPARATION AND MAGNETIC PROPERTIES OF POLY(SCHIFF BASE) COMPLEXES CONTAINING PHENANTHROLINE UNITS

Two poly(Schiff base)s (PDBT and PDPE) were synthesized by polycondensation of 1,10-phenanthroline-5,6- dione (PD) with 2,2′-diamino-4,4′-bithiazole (DABT) and 4,4′-diaminodiphenyl ether (DAPE),respectively.The structures of the polymers were determined by FTIR and element analysis.The metal (Fe~(2+),Ni~(2+)) complexes were prepared from the polymers with FeSO_4 or NiSO_4,and the metal contents of the complexes were measured by complexometric titration.The magnetic behaviors of the complexes were examine...     

Enantiomeric Sesquiterpene Lactones from Senecio tsoongianus

From Senecio tsoongianus,two pairs of enantiomeric isomers,tsoongianolides A(1) and B(2),tsoongianolides C (3) and D(4) were isolated. Their structures were elucidated by 1D and 2D-NMR techniques and X-ray diffractions. The cytotoxicity to KB cell of 1 and 2 is also reported.     

LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS_2MoS_2]~(2-) CLUSTER

The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]~(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.     

Synthesis of new heterocycles 1,3,2,6-dioxaphosphaselenacyclooctanes

New phosphorus- and selenium-containing heterocyclyes, 1,3,2,6-dioxaphosphaselena-cyclooctanes (la-1h), were synthesized by the reaction of bis(2-hydroxyethyl)selenide with RP(X)Cl2 where R=alkoxyl, aroxyl, aryl and X=O or lone pair. Their structures were determined by spectro-scopies and elemental analyses and finally confirmed by the X-ray crystallographic analysis of 1c. The molecular structures of the heterocycles were discussed in term of conformational analysis.     

ESR STUDY OF FREE RADICALS IN IRRADIATED POLYAMIDE-1010

Polyamide-1010 samples were irradiated in vacuum at room temperature by Cobalt-60 γ-rays. The free radicals formed in irradiation were studied by means of electron spin resonance (ESR)techniques.The ESRspectra consisted of a quartet and a superimposed singlet which were attributed to radical -CO-NH-CH-CH_2 and -CH_2-C=O, respectively. The effects of temperature and crystaUinity on the radicals were discussed and the mechanism for the production and decay of the radicals was also proposed.     

Synthesis of （1H）—3,4—Dithydropyrrolo[2,1—c][1,4]oxazin—1—one Derivatives

In search of new anti-inflammatory and analgesic agents,(1H)-3,4-dihydro-pyrrolo [2,1-c][1,4]oxazin-1-one(3) and its acyl derivatives were designed and prepared .Compound 3 was prepared by treatment of methyl 1-(2-bromoethyl) pyrrole-2-carboxylate with silver oxide and its derivatives were obtained by Friedel-Carftes reaction.Nine of 6-acyl derivatives of compound 3 were prepared.     

Synthesis,Crystal Structure and Spectroscopic Properties of 1,2-Benzothiazine Derivatives:An Experimental and DFT Study

1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time.     

Facile Synthesis and Catalytic Properties of β-Co（OH）2 and Mg（OH）2 Nanoplates

β-Co(OH)2 and Mg(OH)2 nanoplates were synthesized via a facile template-free hydrothermal approach.The different conditions of preparation and catalytic properties of the products were studied and discussed.The products were characterized by X-ray diffraction,transmission electron microscopy,scanning electron microscopy,selected area electron diffraction(SAED),and gas chromatograph.     

铋和镍对钒磷氧化物催化剂性能的影响(英文)

Vanadium phosphorus oxide (VPO) catalysts were synthesized by the dihydrate method which involved the two steps for the preparation of the dihydrate (VOPO4 2H2 O) and the precursor hemi-hydrate (VOHPO4 0.5H2 O). Bi and Ni salt were added into the mixture of VOPO4 2H2 O and isobu-tanol, and the obtained precursors were calcined in a flow of a n-butane/air mixture to produce the promoted VPO catalysts. The catalysts were characterized by X-ray diffraction (XRD), N2 adsorp-tion- desorption, inductively coupled plasma-atomic emission spectroscopy, scanning electron mi-croscopy (SEM), and H2 temperature-programmed reduction (H2 -TPR). Their catalytic properties were tested using a fixed-bed microreactor. All the catalysts gave main XRD peaks at 2θ = 22.9°, 28.5°, and 30.0°, attributing to the (020), (204), and (221) planes of the pyrophosphate phase (VO)2 P2 O7, respectively. The promoted catalysts have smaller crystallite size and higher specific surface areas. SEM micrographs revealed the formation of more prominent plate-like crystallites that were arranged as rosette clusters. H2 -TPR results showed that the promoted catalysts had lower reduction peak temperatures and possessed higher amounts of V5+-O2– and V4+-O– pairs, which gave higher selectivity and activity in the selective oxidation of n-butane to maleic anhydride.     

Preparation,Characterization and Thermal Decomposition Kinetics of the Complexes [Dy(p-NBA)_3Phen]_2·3H_2O and [Dy(m-NBA)_3Phen]_2·4H_2O

The title complexes [Dy(p-NBA)3Phen]2·3H2O(I) and [Dy(m-NBA)3Phen]2·4H2O(Ⅱ) were synthesized, in the two molecular formulas of which NBA is nitrobenzoate and Phen is 1,10-phenanthroline. The characterizations of the complexes were carried out by means of elemental analysis, UV, IR, XRD and molar conductivity. The thermal decomposition of the two complexes were studied under the non-isothermal condition by DSC, TG-DTG and IR methods in detail. The kinetic parameters of the dehydration process were also obtai...     

Two Zinc Complexes Supported by in situ Formed Etheric Ligands

Two zinc complexes, [Zn(MPIP)Cl2](1) and [Zn(EPIP)Cl2](2), where MPIP = 1-(methoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine and EPIP = 1-(ethoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine, were synthesized under solvothermal conditions. The etheric ligand MPIP was formed in situ via metal ligand reaction between(3-(pyridin-2-yl)imidazo[1,5-a]pyridin-1-yl)methanol(HPIPM) and methanol solvent. Similarly, the ligand EPIP was generated in situ from the reaction of HPIPM with ethanol solvent. The structures of 1 and 2 were characterized by X-ray single-crystal diffraction analysis. They are four-coordinated mononuclear complexes, and the ZnII ion of 1 and 2 displays distorted tetrahedral geometry. The photoluminescent properties of 1 and 2 were investigated. Strong emissions were observed for both 1 and 2, which were ascribed as the intraligand(π-π*) fluorescent transitions. This paper provides a simple and efficient method for the synthesis of etheric compounds.     

Synthesis,characterization, and catalytic ethylene oligomerization of pyridine-imine palladium complexes

Two neutral five-membered pyridine-imine palladium complexes with the bulky dibenzhydryl (CH(Ph)2) substituted aniline were synthesized and fully characterized by nuclear magnetic resonance (NMR) and X-ray crystal diffraction.Well-defined cationic palladium complexes were further obtained by treatment of chloromethylpalladium complexes with sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate (NaBArF) in CH3CN.Cationic palladium complexes were capable of catalyzing ethylene oligomerization without any cocatalysts.The influences of catalyst structure,reaction temperature,and ethylene pressure on ethylene oligomerization were studied in detail.The introduction of bulky benzhydryl (CH(Ph)2) on the ortho position of the aniline moiety enhanced catalytic activity,thermal stability of the catalyst,and molecular weight of the obtained products.Highly branched oligomers with molecular weights of 600-800 g/mol and narrow polydispersities (1.03-1.12) were produced.