Chemical Research in Chinese Universities

Content of Chemical Research in Chinese Universities Vol.23 No.4(2007)

2007, 23(4): 0-0. doi:

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Preparation of Crack-free 3Y-TZP/Al₂O₃ Composite Ceramic Fiber by Electrolysis-sol-gel Method

LI Jian-jun, JIAO Xiu-ling , CHEN Dai-rong

2007, 23(4): 377-380. doi:

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Polycrystalline 3Y-TZP/Al₂O₃ tetragonal zirconia fiber was obtained by the pyrolysis of gel fibers using zirconium oxychloride octahydrate(ZOC) as the raw material. The spinnable zirconia sol was prepared by electrolyzing the zirconium oxychloride octahydrate(ZOC) solution in the presence of acetic acid and sugar(sucrose, glucrose or fructose), in which the molar ratios of CH₃COOH/ZOC and sugar/ZOC were 1.0—4.0 and 0.2—0.4, respectively. The prepared tetragonal zirconia fibers sintered at different temperatures showed smooth and crack-free surfaces with diameters of 5—10 μm. The addition of Al₂O₃ enhanced the sintering process and prevented the crystals from growing. Thermogravimetric analysis(TG), X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FTIR), and scanning electron microscope(SEM) techniques were used to characterize the prepared fibers.

Preparation of Crack-free 3Y-TZP/Al₂O₃ Composite Ceramic Fiber by Electrolysis-sol-gel Method

LI Jian-jun, JIAO Xiu-ling , CHEN Dai-rong

2007, 23(4): 377-380. doi:

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Polycrystalline 3Y-TZP/Al₂O₃ tetragonal zirconia fiber was obtained by the pyrolysis of gel fibers using zirconium oxychloride octahydrate(ZOC) as the raw material. The spinnable zirconia sol was prepared by electrolyzing the zirconium oxychloride octahydrate(ZOC) solution in the presence of acetic acid and sugar(sucrose, glucrose or fructose), in which the molar ratios of CH3COOH/ZOC and sugar/ZOC were 1.0—4.0 and 0.2—0.4, respectively. The prepared tetragonal zirconia fibers sintered at different temperatures showed smooth and crack-free surfaces with diameters of 5—10 μm. The addition of Al₂O₃ enhanced the sintering process and prevented the crystals from growing. Thermogravimetric analysis(TG), X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FTIR), and scanning electron microscope(SEM) techniques were used to characterize the prepared fibers.

Preparation of Crack-free 3Y-TZP/Al2O3 Composite Ceramic Fiber by Electrolysis-sol-gel Method

LI Jian-jun, JIAO Xiu-ling , CHEN Dai-rong

2007, 23(4): 377-380. doi:

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Polycrystalline 3Y-TZP/Al2O3 tetragonal zirconia fiber was obtained by the pyrolysis of gel fibers using zirconium oxychloride octahydrate(ZOC) as the raw material. The spinnable zirconia sol was prepared by electrolyzing the zirconium oxychloride octahydrate(ZOC) solution in the presence of acetic acid and sugar(sucrose, glucrose or fructose), in which the molar ratios of CH3COOH/ZOC and sugar/ZOC were 10—40 and 02—04, respectively. The prepared tetragonal zirconia fibers sintered at different temperatures showed smooth and crack-free surfaces with diameters of 5—10 μm. The addition of Al2O3 enhanced the sintering process and prevented the crystals from growing. Thermogravimetric analysis(TG), X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FTIR), and scanning electron microscope(SEM) techniques were used to characterize the prepared fibers.

Formation of Na_1+xV₃O₈ Nanoribbon Thin Film from V₂O₅ Xerogel on Sodium Silicate Glass Substrate

GUO Yi, XU Jin-jie, LI Jun , YANG Wen-sheng

2007, 23(4): 381-383. doi:

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Na_1+xV₃O₈ nanoribbon thin film was successfully fabricated by annealing the V₂O₅ xerogel film on sodium silicate glass substrate at 450 ℃. It has been identified that the amount of sodium ions diffused into the V₂O₅ xerogel film increases with the high temperature of annealing treatment. The sodium glass substrate serves as a limited sodium source to induce the transformation from V₂O₅ to Na_1+xV₃O₈ .

Formation of Na1+xV3O8 Nanoribbon Thin Film from V2O5 Xerogel on Sodium Silicate Glass Substrate

GUO Yi, XU Jin-jie, LI Jun , YANG Wen-sheng

2007, 23(4): 381-383. doi:

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Na1+xV3O8 nanoribbon thin film was successfully fabricated by annealing the V2O5 xerogel film on sodium silicate glass substrate at 450 ℃. It has been identified that the amount of sodium ions diffused into the V2O5 xerogel film increases with the high temperature of annealing treatment. The sodium glass substrate serves as a limited sodium source to induce the transformation from V2O5 to Na1+xV3O8.

Crystal Structure and Catalytic Properties of Tetrakis(4-hydroxyphenyl) Porphyrinato Manganese(Ⅲ) Chloride(MnTHPPCl)

YANG Jun-wei, HUANG Xiao-chun, LIU Jin-bin, CHEN Tie, XIANG Jing, TONG Shan-ling, YANG Ke-er , YAN Yan

2007, 23(4): 384-387. doi:

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The crystal structure of meso-tetrakis(4-hydroxyphenyl) porphyrinato manganese chloride(MnTHPPCl) and its supramolecular architecture based on the hydrogen bonds of one counter Cl anion with four hydrogen atoms of four —OH groups from different MnTHPPCl molecules cooperated by self-assembly of the porphyrin units were first reported. This compound crystallized in the tetragonal space group I4/m with a=1.39928(7) nm, b=1.39928(7) nm, c=0.94498(10) nm, V=1.8503(2) nm³, and Z=2. As a catalyst, MnTHPPCl also showed a high catalytic acti-vity in the conversion from 1-naphthylamine(1-NA) to bis(4-oxo-benzo-2-cyclohexen-1-yl)amine(BOBCHA) via oxidative coupling under mild conditions.

Crystal Structure and Catalytic Properties of Tetrakis(4-hydroxyphenyl) Porphyrinato Manganese(Ⅲ) Chloride(MnTHPPCl)

YANG Jun-wei, HUANG Xiao-chun, LIU Jin-bin, CHEN Tie, XIANG Jing, TONG Shan-ling, YANG Ke-er , YAN Yan

2007, 23(4): 384-387. doi:

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The crystal structure of meso-tetrakis(4-hydroxyphenyl) porphyrinato manganese chloride(MnTHPPCl) and its supramolecular architecture based on the hydrogen bonds of one counter Cl anion with four hydrogen atoms of four \_OH groups from different MnTHPPCl molecules cooperated by self-assembly of the porphyrin units were first reported. This compound crystallized in the tetragonal space group I4/m with a=139928(7) nm, b=139928(7) nm, c=094498(10) nm, V=18503(2) nm3, and Z=2. As a catalyst, MnTHPPCl also showed a high catalytic acti-vity in the conversion from 1-naphthylamine(1-NA) to bis(4-oxo-benzo-2-cyclohexen-1-yl)amine(BOBCHA) via oxidative coupling under mild conditions.

Synthesis and Characterization of a New Titanium-silicate Material Containing Cage-like Polyhedral Oligosilsesquioxane

DING Han-ming, ZHANG Da-wei, LI Jiang, KONG Ai-guo , SHAN Yong-kui

2007, 23(4): 388-390. doi:

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A new titanium-silicate material was synthesized with cubic cage-like tetramethylammonium octasilicate and TiCl₄ ethanol solution as precursors. The product was characterized by FTIR, ²⁹Si NMR, UV-Vis, and XRD. Structural and ingrediental analyses suggest that this material has a layered structure with cubic cage-like polyhedral oligosilsesquioxane as building blocks and titanium as bridging atoms.

Synthesis and Characterization of a New Titanium-silicate Material Containing Cage-like Polyhedral Oligosilsesquioxane

DING Han-ming, ZHANG Da-wei, LI Jiang, KONG Ai-guo , SHAN Yong-kui

2007, 23(4): 388-390. doi:

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A new titanium-silicate material was synthesized with cubic cage-like tetramethylammonium octasilicate and TiCl4 ethanol solution as precursors. The product was characterized by FTIR, 29Si NMR, UV-Vis, and XRD. Structural and ingrediental analyses suggest that this material has a layered structure with cubic cage-like polyhedral oligosilsesquioxane as building blocks and titanium as bridging atoms.

Synthesis, Crystal Structure and Thermal Stability of Homopolytungstate Supporting Nickel(Ⅱ) Coordination Fragments

LIU Kun , MENG Fan-xia , MA Feng-xia , CHEN Ya-guang

2007, 23(4): 391-394. doi:

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The organo-inorganic hybrid compound [Ni(phen)₃] [(H₂W₁₂O₄₀) {Ni(phen)₂H₂O} {Ni(trien)}]·2H₂O was synthesized from Na₂WO₄·2H₂O, NiSO₄·6H₂O, CH₃COOK, triethylenetetramine and 1,10-phenanthroline in water by the hydrothermal reaction, and characterized by IR, X-ray single crystal diffraction, and TG-DTA analysis. This compound crystallized in the monoclinic system, space group P2(1)/n, with lattice constants: a=1.80998(6) nm, b=2.36504(8) nm, c=2.29199(7) nm, β=110.2220(10)°, V=9.2065(5) nm, Z=4. Final R indices R₁=0.0532, wR₂=0.1295. The compound is decomposed at 593 ℃.

Synthesis, Crystal Structure and Thermal Stability of Homopolytungstate Supporting Nickel(Ⅱ) Coordination Fragments

LIU Kun, MENG Fan-xia, MA Feng-xia , CHEN Ya-guang

2007, 23(4): 391-394. doi:

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The organo-inorganic hybrid compound [Ni(phen)3] [(H2W12O40) {Ni(phen)2H2O} {Ni(trien)}]·2H2O was synthesized from Na2WO4·2H2O, NiSO4·6H2O, CH3COOK, triethylenetetramine and 1,10-phenanthroline in water by the hydrothermal reaction, and characterized by IR, X-ray single crystal diffraction, and TG-DTA analysis. This compound crystallized in the monoclinic system, space group P2(1)/n, with lattice constants: a=180998(6) nm, b=236504(8) nm, c=229199(7) nm, β=1102220(10)°, V=92065(5) nm, Z=4 Final R indices R1=00532, wR2=01295. The compound is decomposed at 593 ℃.

Spectroscopic Studies on Charge Transfer from Ce3+ to Yb3+ in KMgF3∶Ce,Yb Nanocrystals

YAN Jing-hui , ZHANG Hai-yan , LI Zhong-tian , CAO Jie , SONG Li-hong , ZHANG Hui-qiu , SHI Chun-shan

2007, 23(4): 395-398. doi:

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Nanocrystals of KMgF₃ single-doped and codoped with Ce³⁺ or/and Yb³⁺ were synthesized separately by the microemulsion method. The X-ray diffraction(XRD) patterns were indexed to show that the KMgF₃ crystal system was unchanged. The fluorescent spectra of KMgF₃∶Ce,Yb polycrystal powders were studied and compared with those of the Ce,Yb doped KMgF₃ crystals produced using the high-temperature solid phase method. The diffuse reflection spectra and infrared emission of KMgF₃∶Ce,Yb were investigated. From the results, the authors could confirm that there were charge transfer processes from Ce³⁺ to Yb³⁺ in both KMgF₃∶Ce,Yb nanocrystals and polycrystal powders.

Spectroscopic Studies on Charge Transfer from Ce3+ to Yb3+ in KMgF3∶Ce,Yb Nanocrystals

YAN Jing-hui, ZHANG Hai-yan, LI Zhong-tian, CAO Jie, SONG Li-hong, ZHANG Hui-qiu , SHI Chun-shan

2007, 23(4): 395-398. doi:

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Nanocrystals of KMgF3 single-doped and codoped with Ce3+ or/and Yb3+ were synthesized separately by the microemulsion method. The X-ray diffraction(XRD) patterns were indexed to show that the KMgF3 crystal system was unchanged. The fluorescent spectra of KMgF3∶Ce,Yb polycrystal powders were studied and compared with those of the Ce,Yb doped KMgF3 crystals produced using the high-temperature solid phase method. The diffuse reflection spectra and infrared emission of KMgF3∶Ce,Yb were investigated. From the results, the authors could confirm that there were charge transfer processes from Ce3+ to Yb3+ in both KMgF3∶Ce,Yb nanocrystals and polycrystal powders.

Determination of Nickel and Palladium in Environmental Samples by Low Temperature ETV-ICP-OES Coupled with Liquid-liquid Extraction with Dimethylglyoxime as Both Extractant and Chemical Modifier

PAN Liang, QIN Yong-chao, HU Bin , JIANG Zu-cheng

2007, 23(4): 399-403. doi:

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A novel method for the determination of nickel and palladium in environmental samples by low temperature ETV-ICP-OES with dimethylglyoxime(DMG) as both the extractant and chemical modifier has been developed. In this study, it was found that nickel and palladium can form complexes with dimethylglyoxime(0.05%, mass fraction) at pH 6.0 and can be extracted into chloroform quantitatively. The complexes can be evaporated into plasma at a suita-ble temperature(1400 ℃) for ICP-OES detection. Under the optimized conditions, the detection limits of nickel and palladium are 0.48 and 0.40 ng/mL, respectively, while the RSD values are separately 5.0% and 3.1%(ρ=50 ng/mL, n=7). The proposed method was applied to the determination of the target analytes in environmental samples with satisfactory results.

Determination of Nickel and Palladium in Environmental Samples by Low Temperature ETV-ICP-OES Coupled with Liquid-liquid Extraction with Dimethylglyoxime as Both Extractant and Chemical Modifier

PAN Liang, QIN Yong-chao, HU Bin , JIANG Zu-cheng

2007, 23(4): 399-403. doi:

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A novel method for the determination of nickel and palladium in environmental samples by low temperature ETV-ICP-OES with dimethylglyoxime(DMG) as both the extractant and chemical modifier has been developed. In this study, it was found that nickel and palladium can form complexes with dimethylglyoxime(005%, mass fraction) at pH 60 and can be extracted into chloroform quantitatively. The complexes can be evaporated into plasma at a suita-ble temperature(1400 ℃) for ICP-OES detection. Under the optimized conditions, the detection limits of nickel and palladium are 048 and 040 ng/mL, respectively, while the RSD values are separately 50% and 31%(ρ=50 ng/mL, n=7). The proposed method was applied to the determination of the target analytes in environmental samples with satisfactory results.

Analysis of 17β-Estadiol from Sewage in Coastal Marine Environment by Surface Plasmon Resonance Technique

ZHANG Wei-wei, , CHEN Yu-chun, , LUO Zhao-feng , WANG Ju-ying , MA De-yi

2007, 23(4): 404-407. doi:

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In this study, surface plasmon resonance(SPR) for monitoring 17β-eatradiol(E₂) was developed. The small molecule E₂ was immobilized on a CM5 sensor chip for an indirect competitive immunoassay to detect E₂. The SPR response based on the antigen-antibody reaction was measured by injecting the sample solution into the flow system. The limitation of detection was 0.445 μg/L. The developed SPE-SPR system was applied to analyze the seawater samples. Recovery of E₂ was 91.6%—93.1%. Relative standard deviations(RSD) for the E₂ assay were between 10.9%—15.1%(n=3). The range of determination of E₂ samples from the sewage in the coastal marine environment was between ND(lower than detection limit) and ca. 11.78 ng/L.

Liquid Chromatography-Electrospray Quadrupole Linear Ion Trap Mass Spectrometric Method for Quantitation of Domperidone in Chinese Healthy Volunteers

WU Yi , CHU Yang , ZHANG Yun-hui , WU Dan , GU Jing-kai

2007, 23(4): 408-411. doi:

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A rapid, sensitive, and accurate method based on LC/MS/MS was developed and validated for the determination of domperidone in human plasma. Domperidone and internal standard, tramadol, were extracted from plasma with diethyl ether-dichloromethane(60∶40, volume ratio) and separated by reversed-phase HPLC with methanol-water-ammonia solution(80∶20∶02, volume ratio) as the mobile phase. Detection was carried out via multiple-reaction monitoring(MRM) on a Q-trap^TM LC/MS/MS system(Q-trap^TM). The assay result was linear over a concentration range of 0.1—30 ng/mL with a limit of quantitation(LOQ) of 0.1 ng/mL. The inter- and intra-day precision levels were within 7.52% and 129%, respectively, whereas the accuracy was within a range of 87.3%—114%. This method has been successfully applied to evaluate the pharmacokinetics of domperidone in Chinese healthy volunteers given an oral dose of 10 mg.

Adsorption Isotherms of Quercetin and Catechin Compounds on Quercetin-MIP

JIN Yin-zhe , ROW Kyung Ho

2007, 23(4): 412-416. doi:

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A molecular imprinted polymer(MIP) was prepared with quercetin as the template and methacrylic acid(MAA) as the functional monomer. Acetonitrile and methanol were used as the porogen with ethylene glycol dimethacrylate(EGDMA) as the crosslinker and 2,2′-azobis(isobutyronitrile)(AIBN) as the initiator. The experimental parameters of the equilibrium isotherms were estimated via linear and nonlinear regression analyses. The linear equation as the functions of the adsorption concentration of the single compound in its solution and the competitive adsorption of the single compound in its mixed compounds solution was then expressed, and the adsorption equilibrium data were correlated to Langmuir and Freundlich isotherm models. The mixture compounds show competitive adsorption on the specific binding sites of quercetin-MIP. Furthermore, the competitive Langmuir isotherms were applied to the mixture compounds. The adsorption concentrations of quercetin, (+)catechin(+C), and (-)epicatechin(EC) on the quercetin molecular imprinted polymer were compared. The quercetin-imprinted polymer shows extraordinarily higher adsorption ability for quercetin than for the two catechin compounds that were also assessed.

Design, Synthesis and Synergistic Effects of Novel Derivatives of Solanesol

WANG Jian-hong , WANG Chao-jie , GAN Ying , DU Gang-jun , ZHAO Jin

2007, 23(4): 417-420. doi:

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To further explore the biological activities of solanesylamine derivatives, several novel solanesylpiperazinotriamines and their amides were designed and synthesized, the chemical structures of target compounds were confirmed by IR, ¹H NMR, MS, and element analysis. The in vitro antitumor activities of the synthetic compounds were assessed by MTT test on L1210 and CHO cells. The preliminary results showed that at low micromolar concentrations these compounds exhibit obvious toxicity against tumor cells, and the synergistic effect on clinical antitumor agent indicated that at noncytotoxic concentrations, they also evidently enhance the curative effect of vincristine(VCR). The synergistic effects of compounds 4a, 4c, and 9 were even superior to that of reference compound N,N'-bis(3,4-dimethoxybenzyl)-N-solanesyl-ethylenediamine(SDB).

Synthesis and Characterization of a Novel Podophyllotoxin Derivative Containing a Cyclohexadienone Group

LI Qian-rong, PAN Zhen, YIN Hao , WANG Wei

2007, 23(4): 421-425. doi:

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4β-Azido-4-demethyl-4'-O-demethyl-epipodophyllotoxin reacted with phenyliodonium diacetate in MeOH at room temperature to synthesize a novel podophyllotoxin derivative containing a cyclohexadienone group with the original configurations of C2 and C4, which are required for the antitumor activities. The component and structure of the pro-duct were confirmed using elemental analysis, high-resolution mass spectrum, ¹H and ¹³C NMR spectra, and infrared spectrum. Furthermore, the fragmentation routes of the product were fully assigned with electron-impact time-of-flight mass spectrometry(EI-TOF MS), which can also be used for the structural elucidation based on the molecular ion at m/z 455(16%) and three novel characteristic fragment ions at m/z 183(37%), 425(7%), and 199(5%). The cyclohexadienone product is sensitive to acidic media. When it is treated with a trace of acid, another novel derivative containing an orthoquinone moiety is formed, which links with the metabolism of the cancer inhibitors.

Novel Catalytic Method for Synthesis of Glycosyl Esters by Combining PTC with DMAP

YANG Song-tao, ZHANG Suo-qin, ZHANG Guang-liang, WANG Xiao-ming , LI Yao-xian

2007, 23(4): 426-429. doi:

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This article presents a novel catalytic method by combining phase-transfer catalyst, benzyltriethylammonium chloride, with 4-dimethylaminopyridine for the syntheses of glycosyl esters from substituted phenoxyacetic acids and the peracetate of α-D-1-bromosugars to produce eight novel β-glycosyl esters in high yields. The structures of the synthesized compounds were established by IR, MS, ¹H NMR, and ¹³C NMR spectra and elemental analyses.

Esterification and Chemoselective Synthesis of R-Tetrahydrothiazo-2-thione-4-carboxylic Esters Catalyzed by TiCl₄

SHANG Yan-mei , LI Jing , SONG Zhi-guang , LI Ye-zhi, , HUANG Hua-min

2007, 23(4): 430-432. doi:

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A series of esters of R-tetrahydrothiazo-2-thione-4-carboxylic acid[R-TTCA] was synthesized by direct esterification of R-TTCA with alcohols(CH₃OH, C₂H₅OH, n-C₃H₇OH, i-C₃H₇OH, n-C₄H₉OH, sec-C₄H₉OH) in the presence of TiCl₄ as the catalyst at room temperature without using any other solvent or dehydrant in high yields, 916%—991% for primary alcohols and 55%— 80% for secondary alcohols. The catalyst has a strong chemoselective activity for the esterification of primary alcohols with R-TTCA in the presence of secondary alcohols. Owing to high yield, high chemoselectivity, and mild conditions used, this is an efficient method for the esterification of primary alcohols with R-TTCA.

Purification and in vitro Activity of an Antimicrobial Peptide from Skin of Rana Temporaria Chensinensis, David

ZHOU Jie , MENG Qing-fan , XU Xue-song , TIAN Xiao-le , JIANG Fu-jia , LI Qing-shan , TENG Li-rong

2007, 23(4): 433-436. doi:

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In this study, an antimicrobial component(RTCI) was purified from the skin of Rana temporaria chensinensis, David. Antimicrobial activities of RTCI against clinical multi-drug resistant bacterial strains, including Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureaus, Klebsiella oxytoca, Klebsiella pneumoniae, Enterococcus faecalis, and Proteus mirabilis were measured in vitro by means of minimal inhibitory concentration and time-kill studies. The results indicate that RTCI could inhibit the growth of these bacteria at a proper concentration and suggest that RTCI shows a better antimicrobial activity to Gram-negative bacterial strains than to Gram-positive bacterial strains.

Immune Responses to a Dicistronic Plasmid Expressing HBsAg of Hepatitis B Virus and Interferon-γ

WANG Chun-yi , QI Feng-chun , WU Xiao-juan , ZHAO Da-peng , LENG Mei , SHENG Jun

2007, 23(4): 437-443. doi:

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DNA vaccines encoding a viral protein have been shown to induce antiviral immune responses and provide protection against subsequent viral challenge. The present article deals with the efficacy of a DNA vaccine greatly improved by the simultaneous expression of HBsAg and interferon-γ gene. We constructed a dual expression vector pHIN encoding the HBsAg of Hepatitis B virus and murine IFN-γ which are connected with Internal Ribosome Entry Site(IRES). Mice immunized with this dual expression DNA vaccine exhibited the enhancement of cellular immune response and increased the production of anti-HBV surface antibody, compared with the mice of single gene expression control. Taken together, these results demonstrate that the application of a cytokine gene in a DNA vaccine formulation as an adjuvant can improve its immunigenicity.

DFT Investigations About Pyrazine Molecules on Si(100)-2×1 Surface

YU Ang-yang, QU Yong-quan, HAN Ke-li , HE Guo-zhong

2007, 23(4): 444-451. doi:

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It is important to understand the interface of aromatic molecules on semiconductor surfaces because of the rich functionality of such molecules on semiconductor surfaces. The chemisorption of pyrazine molecules on the Si(100)-2×1 surface has been investigated using the B3LYP density functional theory with Si₉H₁₂ one-dimer and Si₁₅H₁₆ two-dimer cluster models. The calculated results predict that N-dative bonded-state, C2=C5[4+2] and the tight-bridge_1,2,5,6 products may coexist on the Si(100)-2×1 surface.

Effects of Doped Elements on Electrochemical Performance of Ni(OH)₂Materials

LIU Yuan-gang, TANG Zhi-yuan, XU Qiang , LEE Chang-sheng

2007, 23(4): 452-455. doi:

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High energy ball milling(HEBM) method was applied to synthesize Ni(OH)₂ with different doped elements substitution for Ni²⁺. The morphology, structure and electrochemical behavior of prepared powders were studied. The results reveal that all the synthesized Ni(OH)₂ particles were in sub-micron sizes and greatly agglomerated. Co-, Mg-, Fe- or Mn-doped Ni(OH)₂ was of β-phase with 0.400—0.500 nm crystal interlayer distance, while Al- and Zn-doped products displayed α-phase with larger crystal interlayer spaces. The electrochemical mechanisms of synthesized Ni(OH)₂ electrodes were discussed by EIS spectra. The specific capacity of Co-doped Ni(OH)₂ is 245 mA·h·g^-1, i.e., 60 mA·h·g^-1 higher than that of Al-doped electrode, which has the highest discharging platform of a mid-voltage of 130 V.

Adsorption and Diffusion of O Atoms on Ag(210) Stepped Surface

DIAO Zhao-yu , ZHANG Xue-na , WANG Ze-xin , ZHANG Jing

2007, 23(4): 456-459. doi:

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The O-Ag(210) surface adsorption system was studied via the five-parameter Morse potential theory. Meanwhile, the 2O-Ag(210) system was investigated via the extended London-Eyring-Polanyi-Sato(LEPS) potential theory to learn the interaction between the adsorption states. Calculated results demonstrate that there are two stable on-surface adsorption sites(B and H) for O atoms on Ag(210) stepped surface. And the perpendicular vibrations are 303 and 429 meV, which are close to that observed in high resolution electron energy loss spectroscopy(HREELS). Also, there exists an octahedral subsurface adsorption state with a high vibrational frequency, and the interaction between the on-surface and subsurface O species is slight. The mode at 546 meV, which is close to that observed in HREELS(54\_56 meV), is because of the vibration of the O atom on B site under the influence of that on H site.

Heat Capacities and Thermodynamic Properties of 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid

XUE Bin , WANG Jian-ya , TAN Zhi-cheng , WU Tong-hao

2007, 23(4): 460-464. doi:

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The heat capacities of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid(a racemic mixture, molar ratio of cis-/trans-structure is 35/65) in a temperature range from 78 to 389 K were measured with a precise automatic adiabatic calorimeter. The sample was prepared with a purity of 98.75%(molar fraction). A solid-liquid fusion phase transition was observed in the experimental temperature range. The melting point, T_m, enthalpy and entropy of fusion, Δ_fusH_m, Δ_fusS_m, of the acid were determined to be (331.48±0.03) K, (16.321±0.031) kJ/mol, and (49.24±0.19) J/(K·mol), respectively. The thermodynamic functions of the sample, H_T-H_298.15, S_T-S_298.15 and G_T-G_298.15, were reported at a temperature intervals of 5 K. The thermal decomposition of the sample was studied using thermogravimetric(TG) analytic technique, the thermal decomposition starts at ca. 418 K and ends at ca. 544 K, the maximum decomposition rate was obtained at 510 K. The order of reaction, preexponential factor and activation energy are n=0.23, A=7.3×107 min^-1, E=70.64 kJ/mol, respectively.

Photocatalytic Activity of Nanosized ZnWO4 Prepared by the Sol-gel Method

WU Yan, ZHANG Shi-cheng, ZHANG Li-wu , ZHU Yong-fa

2007, 23(4): 465-468. doi:

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Nanosized ZnWO₄ photocatalysts were successfully synthesized via the sol-gel process in a temperature range of 450—800 ℃. The grain size, crystal size, and crystallinity of ZnWO₄ particles increased with the increase of calcination temperature and prolonging calcination time. The photocatalytic activity was measured for the degradation of an aqueous Rhodamine-B(RhB) solution and gaseous formaldehyde(FAD). With the increase of calcination temperature and time, the activities increased to a maximum and then decreased. ZnWO₄ photocatalyst prepared at 550 ℃ for 10 h showed the highest activity, which is similar to the photocatalytic activity of P25TiO₂ for the degradation of gaseous FAD. High crystallinity, large surface area, and good dispersion are responsible for the high photocatalytic performance of the prepared ZnWO₄.

Comparative Studies of 1,4-Bis[2-(4-Pyridyl)ethenyl]-benzene Using Density Functional Theory

CHENG Jian-bo,Jia-ping, GON

2007, 23(4): 469-473. doi:

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The optimized molecular structure and harmonic vibrational frequencies of a 1,4-bis[2-(4-pyridyl)ethenyl]-benzene(BPENB) molecule were calculated via five popular density functional theory(DFT) methods. On the basis of the comparison between calculated and experimental results, it is concluded that the B3PW91 and B3LYP methods are superior to the others in optimizing structures, and the BPW91 method reproduces the observed fundamental frequencies most satisfactorily.

Determination of Water Diffusion Coefficients and Dynamics in Adhesive/Carbon Fiber Reinforced Epoxy Resin Composite Joints

WANG Chao , WANG Zhi , WANG Jing , SU Tao

2007, 23(4): 474-478. doi:

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To determinate the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints, energy dispersive X-ray spectroscopy analysis(EDX) is used to establish the content change of oxygen in the adhesive in adhesive/carbon fiber reinforced epoxy resin composite joints. As water is made up of oxygen and hydrogen, the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints can be obtained from the change in the content of oxygen in the adhesive during humidity aging, via EDX analysis. The authors have calculated the water diffusion coefficients and dynamics in the adhesive/carbon fiber reinforced epoxy resin composite joints with the aid of both energy dispersive X-ray spectroscopy and elemental analysis. The determined results with EDX analysis are almost the same as those determined with elemental analysis and the results also show that the durability of the adhesive/carbon fiber reinforced epoxy resin composite joints subjected to silane coupling agent treatment is better than those subjected to sand paper burnishing treatment and chemical oxidation treatment.

Studies on a Cationically Modified Quaternary Ammonium Salt of Lignin*

YANG Ai-li , JIANG Wen-ju

2007, 23(4): 479-482. doi:

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A new quaternary ammonium salt monomer was synthesized and a quaternary amination of lignin(noted as QL), with the monomer was carried out by grafting copolymerization. The products were characterized by Fourier Transform Infrared spectroscopy(FTIR). The experimental results indicate that the yield of the monomer was 9906%, and the conversion of the monomer and the grafting yield of QL were 9369% and 18578%, respectively. The feasibility of QL as the flocculant to be applied in color removal of five artificial dyes, eriochrome black T(dye A), gongo red(dye B), direct fast black G(dye C), cuprofix blue green B(dye D), and acid black ATT(dye E) was examined. Results show that QL exhibits the favorable flocculation performance and high stability.

3D Supramolecular Network Based on Hydrogen Bonds Between 1D [Ni(μ₂-C₂O₄)(Him)₂] Zigzag Chains

ZHANG Jing, HUANG Ru-dan, ZHU Qin-lei , HU Chang-wen

2007, 23(4): 483-485. doi:

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Herein lies a report about a novel 3D supramolecular framework based on hydrogen bonds between infinite 1D zigzag chains, [Ni(C₂O₄)(Him)₂]_∞(Him=C₃N₂H₄)(1), which has been synthesized by the assembly of octahedral building units under special hydro/solvothermal conditions.

Efficient and Convenient Synthesis of Diethers from Furoin Under Ultrasound and Solid-liquid Phase Transfer Catalysis Conditions

ZHANG Feng , LI Ya-zhuo , WANG Yun-xin , GAO Da-wei , SUN Ji-kui , ZHANG Yu-min , ZHAO Tian-qi , CHEN Xiao-dong

2007, 23(4): 486-488. doi:

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The present paper covers an efficient and convenient procedure for the synthesis of diethers of furoin under ultrasound.

Non-isothermal Decomposition Kinetics of Complexes [Sm(m-MBA)₃phen]₂ and [Sm(o-MOBA)₃phen]₂·2H₂O

REN Ning , ZHANG Jian-jun , GUO Yong-hong , SUN Mei-qing , XU Su-ling , ZHANG Hai-yan

2007, 23(4): 489-492. doi:

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The present paper reports the non-isothermal decomposition kinetics of complexes [Sm(m-MBA)₃phen]₂ and [Sm(o-MOBA)₃phen]₂·2H₂O.

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