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	1. Metal-Phosphorus Bonding in Complexes W@Au12PX3 (X = H, F, Cl, Br, I) - Relativistic DFT Investigations
	Jia Li,Yi-Xiang Qiu,Shu-Guang Wang
	Chemistry 04 January 2009
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	Abstract:Relativistic density functional theory (DFT) calculations of the geometries and Au–P bonding of W@Au12PX3 (X = H, F, Cl, Br, I) have been carried out. There are some regular changes in geometry and binding of these two kinds of complexes with the variation of the phosphanes PX3. The energy decomposition analysis confirms that the PX3 ligands are σ donors. The donor tendency (ΔEσ/ΔEπ) decreases for different X with increasing electro negativity.
	TO cite this article:Jia Li,Yi-Xiang Qiu,Shu-Guang Wang. Metal-Phosphorus Bonding in Complexes W@Au12PX3 (X = H, F, Cl, Br, I) - Relativistic DFT Investigations[OL].[ 4 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27242


	2. Synthesis, characterization and electrochemistry of the novel porphyrazine-based dyes annulated withtetrathiafulvalene having Pentoxycarbonyl substituents
	Leng fengshou ,Hou Ruibin,Jin Longyi,Yin Bingzhu
	Chemistry 03 December 2008
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	Abstract:hree novel tetrathiafluvalene-annulated metalloporphyrazine dyes with electron- withdrawing pentoxycarbonyl groups at periphery were synthesized via a cyclotetramerization of dipentyl 6,7-dicyanotetrathiafulvalen-2,3-dicarboxylate in the presence of corresponding metal salts (Zn(OAc)2•2H2O, Cu(OAc)2•2H2O, and NiCl2) in pentanol and the structures were fully characterized by 1H-NMR, FT-IR, UV-vis, MULDI-TOF mass spectra and elemental analysis. The newly synthesized macrocyclic dyes are sufficiently air-stable for the purification process, where the electron-withdrawing substituents reduced the propensity to form the radical cation of tetrathiafulvalene groups . Their solution electrochemical data show one reductive and three oxidative processes within -2000 mV to +2200 mV potential window. Four couples can be assigned to Pz-2/Pz-3 (I), TTF+•/TTF (II), TTF+2/ TTF+• (III), and Pz-1/Pz-2 (IV).
	TO cite this article:Leng fengshou ,Hou Ruibin,Jin Longyi, et al. Synthesis, characterization and electrochemistry of the novel porphyrazine-based dyes annulated withtetrathiafulvalene having Pentoxycarbonyl substituents[OL].[ 3 December 2008] http://en.paper.edu.cn/en_releasepaper/content/26298

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	3. Vanadia supported on H2O2-detemplated mesoporous SBA-15 as new effective catalysts for the oxidative dehydrogenation of propane
	Xu Jie,Fan Kangnian,Chen Miao,Cao Yong,Liu Yongmei,He Heyong
	Chemistry 04 July 2008
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	Abstract:Mesoporous SBA-15(H2O2) material synthesized via a controlled H2O2-based detemplation at mild conditions has been employed as new type of support to load vanadia. The ordered mesostructure of the SBA-15 host is retained as indicated by XRD and nitrogen adsorption measurements, and the surface areas of the V-SBA-15(H2O2) materials are in the range of 464-667 m2g1 comparable to 772 m2g1 for the parent SBA-15(H2O2) material. The characterization results also indicate the presence of a high abundance of surface silanol groups inside the silica pores, which can allow controlled vanadium loading up to 4.5 wt % or V coverage up to 1.01 Vnm2. In contrast with conventional calcination-derived SBA-15(C) sample the high population of the surface hydroxyl groups as well as high structural stability of the SBA-15(H2O2) material allowed a very good dispersion of the vanadia on its surface leading to high productivities of propylene during the oxidative dehydrogenation of propane.
	TO cite this article:Xu Jie,Fan Kangnian,Chen Miao, et al. Vanadia supported on H2O2-detemplated mesoporous SBA-15 as new effective catalysts for the oxidative dehydrogenation of propane[OL].[ 4 July 2008] http://en.paper.edu.cn/en_releasepaper/content/22709


	4. PtCl2-catalyzed reactions of o-alkynylanilines with ethyl propiolate and dimethyl acetylenedicarboxylate
	Li Xun,Yu Wei,Wu Longmin
	Chemistry 30 April 2008
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	Abstract:The PtCl2-catalyzed reactions between indoles and ethyl propiolate gave rise to mono and double addition products. The composition of the products was largely influenced by the substituents on the indoles as well as the amount of ethyl propiolate used. o-Alkynylanilines reacted with ethyl propiolate and dimethyl acetylenedicarboxylate under the catalysis of PtCl2 to generate the corresponding 2,3-disubstituted indoles. The reaction proceeded following a sequential cyclization/intermolecular addition pathway.
	TO cite this article:Li Xun,Yu Wei,Wu Longmin . PtCl2-catalyzed reactions of o-alkynylanilines with ethyl propiolate and dimethyl acetylenedicarboxylate [OL].[30 April 2008] http://en.paper.edu.cn/en_releasepaper/content/21014


	5. Self-assembled thermo-sensitive micelles composed of PSt-b-P(DEA-co-DMA) for drug delivery
	Bian Fengling ,Xiang Miao ,Yu Wei,Liu Mingzhu
	Chemistry 24 March 2008
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	Abstract:The amphiphilic block copolymer polystyrene-b-poly(N,N-diethylacrylamide-co-N,N-dimethyl-acrylamide) was synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization of N,N-diethylacrylamide (DEA) and N,N-dimethylacrylamide (DMA) using polystyrene as macro-RAFT agent. Polymeric micelles were prepared by dialysis of the block copolymer solution in THF against aqueous media. The polymeric micelles PM73 based on block copolymer P73, which was prepared with molar ratio DEA/DMA/PSt CTA/AIBN = 700:300:10:1, exhibited a lower critical solution temperature (39.2°C) in aqueous solution which was a little higher than the human body temperature. Polymeric micelles PM73 showed a unimodal size distribution with an average diameter of 24.2±0.5 nm. The micelles were thermodynamically stable in aqueous media above the critical micelle concentration (1 mg/l). The anti-inflammation drug, prednisone acetate, was incorporated into PM73 as the model drug. The loading capacity was found to be around 8 wt%, and the drug-loaded micelles showed similar size distribution patterns (monodisperse with an average diameter of 32.1±0.5 nm) and morphology (spherical) to the empty micelles. The drug-loaded micelles showed remarkable thermoresponsive drug release behavior, in response to the micellar structural change. These results suggest that the nano-size polymeric micelles might be useful as drug carriers to achieve the site-specific delivery of drugs.
	TO cite this article:Bian Fengling ,Xiang Miao ,Yu Wei, et al. Self-assembled thermo-sensitive micelles composed of PSt-b-P(DEA-co-DMA) for drug delivery[OL].[24 March 2008] http://en.paper.edu.cn/en_releasepaper/content/19657


	6. Synthesis and Properties of a One-dimensional Mixed-ligand Cd(II) Coordination Polymer with Helical Structure
	Yu Liqiong,Huang Rudan,Chi Yingnan ,Xu Yanqing,Hu Changwen
	Chemistry 30 January 2008
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	Abstract:The title complex, [[Cd(Him)(OH-BDC)(H2O)2]•3H2O]n (1) (Him = imidazole, OH-H2BDC = 5-hydroxyisophthalic acid), was synthesized by liquid/liquid diffusion method at room temperature. The complex crystallizes in orthorhombic, space group P2(1)2(1)2(1), with a = 6.7160(7), b = 13.8055(14), c = 17.4205(18) Å, V = 1615.2(3) Å3, C11H18CdN2O10, Mr = 450.67, Dc = 1.853 g/cm3, μ = 1.407 mm−1, F(000) = 904, Z = 4, the final R = 0.0209 and wR = 0.0453 for 3211 observed reflections (I >2σ(I)). In the structure of 1, the OH-BDC ligands exhibiting bis-bidentate coordination mode bridge the adjacent Cd centers to form a one-dimensional helical chain and the second ligand Him acting as terminal ligands are attached to the helical chain. It is notable that a series of complicated hydrogen bonds (eg: N—H•••O, O—H•••O) exist in the structure, which link neighboring helices into a three-dimensional supramolecular architecture. An observed intense blue luminescence with an emission band peaking at 390 nm for 1 may resulted from ligand-to-metal charge transfer (LMCT).
	TO cite this article:Yu Liqiong,Huang Rudan,Chi Yingnan , et al. Synthesis and Properties of a One-dimensional Mixed-ligand Cd(II) Coordination Polymer with Helical Structure [OL].[30 January 2008] http://en.paper.edu.cn/en_releasepaper/content/18502


	7. Solubilization and refolding with simultaneous Purification of Recombinant Human Granulocyte Colony-stimulating Factor expressed by Escherichia coli as Inclusion Bodies
	Wang Chaozhan ,Wang Lili ,Geng Xindu
	Chemistry 06 January 2008
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	Abstract:Recombinant human granulocyte colony-stimulating factor (rhG-CSF) was solubilized and purified from inclusion bodies expressed in Escherichia coli. Effect of both pH and urea on the solubilization of rhG-CSF inclusion bodies were investigated, the results indicate that the existence both ionic and hydrophobic interactions in the inclusion bodies. Various solvents with reduced/oxidized glutathione (GSH/GSSG) were used to solubilize rhG-CSF inclusion bodies，the extent of solubilization was compared with each other and the behaviors of rhG-CSF in high performance hydrophobic interaction chromatography (HPHIC) were investigated. Solubilization of rhG-CSF inclusion bodies by 2% Sarkosyl in the presence of GSH/GSSG probably helps oxidizing rhG-CSF to form disulfide bonds, but Sarkosyl in the solution interferes seriously with the chromatographic process. To solubilize rhG-CSF inclusion bodies by combination of 2% Sarkosyl and 8.0 molL-1 urea can overcome this problem very well. And the so solubilized rhG-CSF was simultaneously refolded and purified by one step of HPHIC, with a specific activity of 1.9 × 108 IUmg-1 and a purity of 97%, the mass recovery was 41%.
	TO cite this article:Wang Chaozhan ,Wang Lili ,Geng Xindu . Solubilization and refolding with simultaneous Purification of Recombinant Human Granulocyte Colony-stimulating Factor expressed by Escherichia coli as Inclusion Bodies[OL].[ 6 January 2008] http://en.paper.edu.cn/en_releasepaper/content/17777


	8. Novel green-emitting polymer containing fluorene and 1-(2-benzothiazolyl)-3,5-diphenylpyrazoline
	Zhang Huaxi,Li Ying,Jiang Qing,Xie Minggui,Peng Junbao,Cao Yong
	Chemistry 30 November 2006
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	Abstract:Novel electroluminescent (EL) polymer based on fluorene having benzothiazolylpyrazoline unit in the main chain was synthesized. The result polymer possessed satisfactory thermal stability with onset decomposition temperature(Td) of 401 ℃ and glass-transition temperature(Tg) of 213 ℃. The polymer emits green fluorescence with high photoluminescence (PL) quantum yield of 47%. Polymer light-emitting diode (PLED) was fabricated with the configuration of ITO/PEDT（40nm）/PVK（40nm）/polymer(80nm)/Ba(4nm)/Al(160nm) showed turn-on voltage of 4.5V, and it can emit green light with maximum brightness of 1726 cd m-2 with the maximum external quantum efficiency of 1.59 %.
	TO cite this article:Zhang Huaxi,Li Ying,Jiang Qing, et al. Novel green-emitting polymer containing fluorene and 1-(2-benzothiazolyl)-3,5-diphenylpyrazoline[OL].[30 November 2006] http://en.paper.edu.cn/en_releasepaper/content/10086


	9. Asymmetric Cyanosilylation of Aldehydes Catalyzed by a Chiral Bifunctional Amino Acid Ester-Ti(IV) Complex
	Wang Fei,Xiong Yan,Liu Xiaohua,Feng Xiaoming
	Chemistry 06 November 2006
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	Abstract:A new chiral bifunctional catalyst had been developed for the asymmetric cyanosilylation of aldehydes. The complex of 1d with Ti(OiPr)4 could efficiently promote the addition of trimethylsilylcyanide to aldehydes in high yields (up to 99%) with up to 76% ee. Based on the preliminary investigation, a possible catalytic mechanism via dual activation has been proposed to explain the origin of the activation and asymmetric inductivity.
	TO cite this article:Wang Fei,Xiong Yan,Liu Xiaohua, et al. Asymmetric Cyanosilylation of Aldehydes Catalyzed by a Chiral Bifunctional Amino Acid Ester-Ti(IV) Complex[OL].[ 6 November 2006] http://en.paper.edu.cn/en_releasepaper/content/9293


	10. Electron Attachment to the DNA Bases Adenine and Guanine and Dehydrogenation of Their Anionic Derivatives: A Density Functional Study
	Xie Hujun ,Cao Zexing
	Chemistry 19 October 2006
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	Abstract:Density functional calculations have been used to explore electron attachment to the purines adenine and guanine and their hydrogen atom loss. Calculations show that the dehydrogenation at the N9 site in the adenine and guanine transient anions is the lowest-cost channel of hydrogen loss, and the N9-H bond scission has Gibbs free energies of dissociation 兇G刟 of 8.8 kcal mol-1 for the anionic adenine and 13.9 kcal mol-1 for the anionic guanine. The relatively high feasibility of low-energy electron-induced N9-H bond cleavage in the purine nucleobases arises from high electron affinities of their H-deleted counterparts. Unlike adenine, other N-H bond dissociations are competitive with the N9-H bond fission in the anionic guanine. The replacement of hydrogen in the ring of purine has a significant effect on the N9-H bond fragmentation.
	TO cite this article:Xie Hujun ,Cao Zexing. Electron Attachment to the DNA Bases Adenine and Guanine and Dehydrogenation of Their Anionic Derivatives: A Density Functional Study[OL].[19 October 2006] http://en.paper.edu.cn/en_releasepaper/content/8824

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