Published in last 1 year | In last 2 years | In last 3 years | All Please wait a minute... Note Simple and Rapid Synthesis of Fe(PO3)3 with Three-dimensional Networks Morphology by a Novel Thermal Decomposition of Iron Phosphonate Chen Lian, Zhang Yinghong, Zhou Yiming, Xie Kongwei, Chen Yu, Tang Yawen, Lu Tianhong Acta Chimica Sinica 2012, 70 (12): 1412-1416. DOI: 10.6023/A1112312 Published: 20 April 2012 Abstract (1431) PDF (1058KB)(1232) Knowledge map The high pure Fe(PO3)3 with three-dimensional networks structure was synthesized by a novel thermal decomposition of phosphonate. Briefly, the iron phosphonate (FeIII-edtmpH5) complex was synthesized by using FeCl3 and ethylenediamine-tetramethylene phosphonic acid (edtmpH8) as starting materials. The composition and structure of FeIII-edtmpH5 complex is characterized by Fourier transform infrared spectroscopy (FT-IR), electrospray ionization/mass spectrometry (ESI/MS) and thermogravimetry-,differential thermal analysis (TG-DTA). Then, the Fe(PO3)3 is obtained by thermal decomposition of FeIII-edtmpH5 complex in air atmosphere. X-ray diffractometry (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) measurements show that the obtained Fe(PO3)3 possesses high purity, good crystallinity and particular three-dimensional networks morphology. Reference | Related Articles | Metrics Note Deoxyfluorination of Peracetylated Pyranose Hemiacetal with Fluoroalkanesulfonyl Fluoride Yan Zhaohua, Lai Kunmin, Tian Weisheng, Yu Zhangxin Acta Chimica Sinica 2012, 70 (11): 1322-1326. DOI: 10.6023/A1112162 Published: 23 April 2012 Abstract (2027) PDF (324KB)(1140) Knowledge map The deoxyfluorination of peracetylated pyranose hemiacetals with 5-H-3-oxa-1,1,2,2,4,4,5,5- octafluoropentanesulfonyl fluoride (HCF2CF2OCF2CF2SO2F) in the presence of an organic base was investigated resulting in the smooth formation of corresponding glycosyl fluorides in the yield of 44%~94%. The mild reaction conditions and easy work-up procedure are the two advantages for this methodology and it can be used as an alternative method for the preparation of glycosyl fluorides. Reference | Related Articles | Metrics Cited: Baidu(53) CSCD(3) Note Study on Docking and Molecular Dynamics Simulation between VEGFR-2 and the Inhibitor Sunitinib An Kang, Chai Xiaojie, Xue Fei, Wang Yuan, Zhang Ting Acta Chimica Sinica 2012, 70 (10): 1232-1236. DOI: 10.6023/A1110182 Published: 16 May 2012 Abstract (1987) PDF (1919KB)(2029) Knowledge map Molecular docking were used to investigate the interaction of Sunitinib with VEGFR-2. A 10 ns molecular dynamics (MD) calculation was performed to study the complex and the results indicate that Sunitinib can produce hydrophobic interactions with the nonpolar side chains of the residues (Glu885, Ile888, His1026, Asp1028, Asp1046) in the binding pocket. Moreover, the three residues (His1026, Cys1024, Asp1046) ground Sunitinib can form H-bonds with Sunitinib, which can produce significant contribution to biological activities. The result of our simulation will provide theoretical basis for molecular structure improvement, molecular design, molecular synthesis of VEGFR-2 inhibitor, and will be useful in finding higher activity, better anticancer drugs. Reference | Related Articles | Metrics Cited: Baidu(37) CSCD(3) Note Polystyrene-co-poly(2,3,4,5,6-pentafluoro styrene) Copolymers: Synthesis and Fabrication of Their Porous Films Lü Huichao, Zhang Chengpan, Huang Jin, Zhao Qiaoling, Ma Zhi, Xiao Jichang Acta Chimica Sinica 2012, 70 (9): 1125-1130. DOI: 10.6023/A1112264 Published: 18 May 2012 Abstract (2296) PDF (3416KB)(1824) Knowledge map Well-defined polystyrene-co-poly(2,3,4,5,6-pentafluoro styrene) (PS-co-PPFS) copolymers were synthesized by atomic transfer radical polymerization (ATRP) in trifluorotoluene, fluorinated ionic liquid and trifluorotoluene/fluorinated ionic liquid solvent systems, respectively. The chain structure and component of such copolymers were characterized by 1H NMR, 19F NMR, elemental analysis and GPC. Porous films of PS-co-PPFS copolymers were fabricated by static breath-figure method in CS2, CHCl3 and CH2Cl2, respectively. The morphologies of such porous films were observed by scanning electron microscopy (SEM) and compared with those of PS homopolymer with similar molecular weight. The results showed that PS-co-PPFS copolymers with narrow molecular weight distribution (Mn=5200~7900 g·mol-1, i>Mw/Mn= 1.12~1.22) can be synthesized via ATRP in trifluorotoluene and fluorinated ionic liquid, respectively. The SEM observation indicated that PS-co-PPFS copolymer porous films can be fabricated with CS2, CHCl3 and CH2Cl2 as solvent, respectively. While, different from PS analogues, PS-co-PPFS copolymer porous films showed less ordered pore structures with two different average pore sizes. The pores of such film fabricated in CHCl3 were in better order with two average pore sizes of 0.75 and 0.37 μm, respectively. Reference | Related Articles | Metrics Note Nonlinear Optical Response in Donor-Zigzag Carbon Nanotube-Acceptor Dependence on the Tube Diameter Liu Yingtao, Wang Xin, Liu Xiangyu, Ji Yongqiang Acta Chimica Sinica 2012, 70 (9): 1131-1134. DOI: 10.6023/A1111293 Published: 18 May 2012 Abstract (1443) PDF (2224KB)(879) Knowledge map A series of NH2 and NO2 disubstituted carbon nanotube NH2-(n,0)CNT-NO2 (n=5~10) were obtained by the DFT-B3LYP method. First hyperpolarizabilities (β0) were calculated at the CAM-B3LYP level. As a result, it is found that the first hyperpolarizability strongly depends on the diameter of CNT. Particularly, β0 (5.5×103~9.8×104) in the even CNT (n=6, 8 and 10) is about 5~35 times larger than that (1.0×103~2.8×103 au) in the odd CNT (n=5, 7 and 9). Reference | Related Articles | Metrics Cited: Baidu(13) CSCD(1) Note Preparation and Characterization of NH4Hf2F9 for Accelerator Mass Spectrometry Measurement Jiang Tao, Yang Jun, Yang Liang, He Yuhui Acta Chimica Sinica 2012, 70 (9): 1135-1138. DOI: 10.6023/A1107191 Published: 22 December 2011 Abstract (1337) PDF (2606KB)(1010) Knowledge map The method of multiphase synthesis of NH4Hf2F9 for accelerator mass spectrometry (AMS) measurement was researched. The structure and composition of NH4Hf2F9 powder were characterized by XRD, SEM, XPS and TG-DTA. When the NH4Hf2F9 powder was heated at 573 K for 1 h, the powder phase was still NH4Hf2F9. After being heated at 773, 973, 1173 and 1373 K for 1 h, respectively, they all transformed to HfO2. When the temperature was above 573 K, NH4Hf2F9 powder began to decompose. When the temperature reached 1073 K, the weight loss of NH4Hf2F9 powder was about 78%. The powder shape was irregular, and powder size was between 5 and 20 μm in the SEM images. The XPS results show that there were Hf, N and Hf in NH4Hf2F9 powder, and Hf mainly existed in quadrivalent state (+4). Reference | Related Articles | Metrics Note Effects of Glycerol Concentrations on Self-diffusion Coefficients of Glycerol in Glycerol-Water-Sodium Chloride Ternary Solutions Chen Cong, Li Weizhong, Song Yongchen, Weng Lindong, Zhang Ning Acta Chimica Sinica 2012, 70 (08): 1043-1046. DOI: 10.6023/A1107153 Published: 06 January 2012 Abstract (1960) PDF (651KB)(1219) Knowledge map Glycerol self-diffusion coefficients in glycerol-water-sodium chloride ternary solutions with different concentrations have been predicted using molecular dynamics simulation method. As glycerol concentration increases, glycerol self-diffusion coefficient decreases. Hydrogen bonds analysis has been made and it has been found that decreasing of glycerol self-diffusion coefficients is caused by decreasing of mean number of glycerol-water hydrogen bonds and increasing of mean number of glycerol-glycerol hydrogen bonds. Reference | Related Articles | Metrics Cited: Baidu(13) CSCD(1) Note Impact of Size Effects on the Thermodynamic Properties of Zinc Oxide Micro/nano System Fan Gaochao, Huang Zaiyin, Chen Jie, Ma Yujie Acta Chimica Sinica 2012, 70 (07): 938-942. DOI: 10.6023/A1111144 Published: 05 March 2012 Abstract (1425) PDF (524KB)(1182) Knowledge map Grenade-like ZnO micro/nano structures with three different sizes were prepared by microemulsion- mediated hydrothermal route. Through designing a thermochemical cycle, the relationship between thermodynamic properties of nano ZnO and bulk ZnO systems was built. Combined with microcalorimetry, thermodynamic properties of the ZnO micro/nano systems with different sizes were calculated. The results revealed that size effect has significant influences on thermodynamic properties of micro/nano systems. Along with the size of reactants decreasing, the standard molar enthalpy of reaction, standard molar Gibbs free energy of reaction and standard molar entropy of reaction of micro/nano systems decreased, but the standard molar enthalpy of formation, standard molar Gibbs free energy of formation and standard molar entropy of themselves increased. Reference | Related Articles | Metrics Cited: Baidu(6) CSCD(7) Note Synthesis and in vitro Antitumor Activities of 6,7-Dimethoxy-4-piperazinquinazoline Thiosemicarbazone Derivatives Liu Haibin, Xu Huijuan, L? Ping, Pan Ningning, Li Shuangqi Acta Chimica Sinica 2012, 0 (05): 674-678 . DOI: 10.6023/A1108171 Published: 29 November 2011 Abstract (1450) PDF (342KB)(1220) Knowledge map Six new quinazoline derivatives 4a~4f bearing thiosemicabazone have been designed and synthesized by four step reactions of cyclization, chlorination, substitution and condensation using 2-amino-4,5-dimethoxybenzoic acid and methanimidamide acetate as starting materials. Their structures were confirmed by 1H NMR, 13C NMR, ESI-MS, IR techniques and elemental analysis. The in vitro antitumor activities of compounds 4a~4f against SGC-7901 (human gastric cancer), KB (human oral epidermoid cancer) and HT-1080 (human fibrosarcoma) cell lines were tested using colorimetric MTT assay. The preliminary results indicated that compounds 4a and 4f showed significant antitumor activity against HT1080. Reference | Related Articles | Metrics Cited: CSCD(4) Note Synthesis and Spectra Analyses of Eu(III) Binary Complexes with Polycarboxylic Acid Zhang Jinli, Zhao Liping, Luo Xuan, Du Kai Acta Chimica Sinica 2012, 0 (05): 679-682 . DOI: 10.6023/A1107192 Published: 29 November 2011 Abstract (1580) PDF (355KB)(1235) Knowledge map Using trimesic acid, mellitic acid and 1,2,3,4,5,6-cyclohexanehexacarboxylic acid as ligand, three Eu(III) binary complexes, Eu(BTC)·2H2O, Eu2(MTA)·4H2O and Eu2(CCA)·4H2O were synthesized. Their chemical compositions were characterized by elemental analyses, IR and inductively coupled plasma atomic emission spectrometer (ICP) techniques, and the results showed an agreement with the proposed structures. The photophysical properties (excitation spectra, emission spectra, emission lifetime, emission quantum yield) were investigated by using luminescence spectroscopy at room temperature. The results showed that all the three complexes exhibit strong red fluorescence under ultraviolet light and the photoluminescence properties of Eu2(MTA)·4H2O (emission quantum yield=10.25%, emission lifetime= 0.36 ms) was superior to the others. The phenomenon was interpreted by electron-effect and energymatching mechanism. Additionally, the thermal stability of the Eu(III) binary complexes was studied, and the main decomposition points of the complexes were higher than other β-diketonate complexes. Reference | Related Articles | Metrics Cited: CSCD(1) Note Theoretical Studies on Quantitative Structure-Activity Relationship and Structural Modification for 3-Substituted Sulfur-5- (2-Hydroxyphenyl)-4H-1,2,4-Triazole Compounds Feng Changjun Acta Chimica Sinica 2012, 70 (04): 512-518. DOI: 10.6023/A1107052 Published: 23 November 2011 Abstract (1885) PDF (382KB)(1387) Knowledge map The DFT-B3LYP method, with the basis set 6-31G, was employed to calculate the molecular geometries and electronic structures of 24 3-substituted sulfur-5-(2-hydroxyphenyl)-4H-1,2,4-triazole compounds. EHOMO, ELUMO, ENHOMO, ENLUMO, QC1~QC8, QN1~QN3, QO, QS, ΔE1, ΔE2, ΣQ were selected as quantum chemical descriptors (qc). The quantitative structure-activity relationships (QSAR) were established by using leaps-and-bounds regression analysis for the antibacterial activities (AJ: Am, Ae and As) of 13 compounds to Escherichia coli, Monilia albican and Staphylococcus aureus along with the qc. The correlation coefficients (R2) and the leave-one-out (LOO) cross validation Rcv2 for the Ae, Am and As models were 0.930 and 0.871; 0.926 and 0.869; 0.781 and 0.572 respectively. The QSAR models have both favorable estimation stability and good prediction capability by Aadj2, F, Rcv2, VIF, AIC, FIT tests. The results indicate that the ΔE1 and ΣQ are main factors which can affect the bioactivities of these compounds directly. The antibacterial activities of the compounds increase with the increase of the ΣQ; however the higher the ΔA1 is, the lower the AJ is. The possible mechanism has been given for the antibacterial of the triazole compounds. It is known that the suitable structural modifications of R group in triazole compounds with the strong electron- attracting one are beneficial to the antibacterial activities. According to the results (11 compounds) obtained from the structural modifications, the antibacterial activities of four modified molecules are over 100% when mass fraction is 0.01%, and it is expected to be confirmed by using biologic experiments. Reference | Related Articles | Metrics Cited: Baidu(38) Note Synthesis, Crystal Structure and Antibacterial Activity of A Bismuth(III) Complex [Bi2(PPA)6?(Phen)2] with Phenylacetic Acid and 1,10-Phenanthroline Yang Shuping, Han Lijun, Pan Yan, Wu Zhenming, He Xinran, Chen Lijuan Acta Chimica Sinica 2012, 0 (04): 519-524. DOI: 10.6023/A1109102 Published: 19 December 2011 Abstract (1915) PDF (533KB)(1892) Knowledge map A bismuth(III) complex [Bi2(PPA)6·(Phen)2] (HPPA = phenylacetic acid; Phen = 1,10-phenanthroline) was synthesized and characterized by elemental analysis and infrared (IR) spectroscopy, its crystal structure was determined by single crystal X-ray diffraction. The crystal of bismuth(III) complex belongs to triclinic system with space group P-1, a=0.9100(6) nm, b=1.2617(8) nm, c= 1.3324(9) nm, α=89.757(8)°, β=87.277(8)°, γ=81.155(8)°, V=1.5099(17) nm3, Dc=1.748 g·cm-3, μ=5.890 mm-1, Z=1, F(000)=780, residual factors R1=0.0484, wR2=0.1090 [I>2σ(I)], S=1.002. The comcomplex is a binuclear bismuth(III) compound, and every bismuth(III) atom is nine-coordinated by six O atoms from three ligands (PPA) and two N atoms from one ligand (Phen) and one bridged O atom, and the coordination polyhedron around the bismuth(III) atom can be best described as a distorted tricapped trigonal-prismatic tetrakaidecahedron geometry, the valence sum of around Bi atom VBi(1)=2.897. The distance of Bi…Bi is 0.4469(2) nm. The complex has a good effect against E. Coli, S. Aureus and B. Subtilis. Reference | Related Articles | Metrics Note Synthesis, Characterization and Properties of a New Octupolar Molecule Qi Xiaoyun, Hu Quanyuan, Wang Shimin, Yang Fei, Yu Ping Acta Chimica Sinica 2012, 70 (03): 363-366. DOI: 10.6023/A1106222 Published: 25 February 2012 Abstract (1365) PDF (311KB)(1449) Knowledge map An octupolar molecule with triazine as core, styryl conjugate and nitrogen-carbon double bond as bridge and hydroxy ethoxy as the donor group was designed and synthesized. The structures and properties of the organic molecules were characterized by IR, elemental analysis, 1H MNR, UV-Vis and DSC-TG. The second order nonlinear optical properties was determined by Kurtz-Perry powder method. The results show that the compound second-harmonic generation (SHG) equals to 1.7 times of potassium dihydrogen orthophosphate (KDP). The maximum absorption wavelength of the compound was 411.5 nm. The compound was thermally stable with the decomposition temperature of 397 . Consequently it could be ℃ considered to be a better choice for the preparation of nonlinear optical (NLO) materials. Reference | Related Articles | Metrics Cited: Baidu(5) CSCD(3) Note Study on Syntheses and Anticoagulant Action of Rare Earth Nano-oxides/TDI-CS Hybrid Materials Gao Qikuan, Wang Kunjie, Wang Xicun Acta Chimica Sinica 2012, 70 (02): 207-211. DOI: 10.6023/A1103231 Published: 25 February 2012 Abstract (1753) PDF (986KB)(1067) Knowledge map Four hybrid materials of RE2O3-TDI-CS (TDI=toluene 2,4-diisocyanate, CS=chitosan, RE=Nd, Eu, La, Sc) were prepared by the method of graft. The materials were characterized by infrared spectroscopy, thermogravimetric and scanning electron microscopy, and results showed that the CS was grafted on the surface of rare earth nano-oxides which was modified by TDI. The results of the experiment of anticoagulant and recalcification time showed that the materials have better anticoagulant action than that of RE2O3. Reference | Related Articles | Metrics Cited: Baidu(13) CSCD(2) Note Thermal Stability and Kinetics of Thermal Decomposition of Salvianolic Acid B Wang Shaoxu, Tan Zhicheng, Che Ruxin, Li Yansheng Acta Chimica Sinica 2012, 70 (02): 212-216. DOI: 10.6023/A1104075 Published: 25 February 2012 Abstract (1930) PDF (420KB)(1542) Knowledge map The processes of thermal decomposition of salvianolic acid B were studied by TG-DTG. The TG-DTG curves showed that the process of mass loss of the substance proceeded in two steps. The first step could be attributed to the expulsion of water in the temperature range of 305~373 K. The second step was corresponding to the large scale degradation of salvianolic acid B in the temperature range of 413~864 K.The activation energies E of thermal degradation process of three stages were obtained by Friedman method and Ozawa-Flynn-Wall method. According to 15 mechanism functions, the possible kinetic model of thermal degradation process was estimated to be Fn-F2-F1 through the multiple linear regression method. Reference | Related Articles | Metrics Cited: Baidu(25) CSCD(8) Note Preparation of Boron Nitride Ceramic Fibers by Pyrolysis of Silicon-containing Polyborazine Li Wenhua, Wang Jun, Xie Zhengfang, Wang Hao, Tang Yun Acta Chimica Sinica 2012, 70 (01): 99-102. DOI: 10.6023/A1110271 Published: 25 February 2012 Abstract (1283) PDF (320KB)(1508) Knowledge map Silicon still exists in boron nitride(BN)ceramic fibers which were prepared by melt-spinning, curing with BCl3 and pyrolysis under NH3 of a preceramic silicon-containing polyborazine.That is because B-N(SiMe3)2 and B-N(SiMe3)-B could not react with BCl3 completely for the steric hindrance.So HCl was used to react with silicon-containing polyborazine first to reduce its steric hindrance.Then,BCl3 reacted with silicon-containing polyborazine to remove the residual SiMe3.After pyrolysis under NH3,BN ceramic fibers without silicon were obtained which was proved by FT-IR and X-ray diffraction.The obtained BN ceramic fibers with diameter of about 11μm were dense which was demonstrated by scanning electron mi- croscopy(SEM)and the fibers showed room temperature mechanical property with average tensile strength of 0.45GPa. Reference | Related Articles | Metrics Cited: Baidu(7) Note Preparation and Electrochromic Properties of Polythiophene Derivative Films Based on Oligothiophene Derivative Monomers Jiang Yue, Wang Juan, Guan Li, Zhong Yiping, Liu Ping, Deng Wenji Acta Chimica Sinica 2012, 70 (01): 103-106. DOI: 10.6023/A1109093 Published: 25 February 2012 Abstract (1347) PDF (759KB)(1355) Knowledge map Oligothiophene derivative monomers,2,3':4',2'-terthiophene(I3T)and 5,5''-biformyl-2,3':4',2''-terthiophene(OHC-I3T-CHO),were synthesized.The corresponding polythiophene derivatives based on I3T and OHC-I3T-CHO monomers were prepared by electropolymerization.The electrochromic properties of polythiophene derivative films were investigated.When the voltage were applied between the ITO working electrode and the platinum wire counter electrode,the I3T film showed reversible,clear color changes from light yellow to light blue,while the OHC-I3T-CHO film showed reversible,clear color changes from red to greenish black. Reference | Related Articles | Metrics Note Preparation and Characterization of Fe2O3/HTPB Composite Nanoparticle HU Lei, MA Zhen-Ye, JI Ming-Wei, ZHANG Li-Xiong Acta Chimica Sinica 2011, 69 (24): 3028-3032. DOI: 10.6023/A1106302 Published: 26 August 2011 Abstract (1265) PDF (750KB)(978) Knowledge map To improve the dispersion of Fe2O3 nanoparticles in solid propellant, the Fe2O3/hydroxyl-terminated polybutadiene (HTPB) composite nanoparticles were prepared by one-step blending (OSB) method and two-step blending (TSB) method, respectively. The HRTEM, TGA, FTIR and XRD were used to characterize the structure of the resultant composite nanoparticles. It was observed that HTPB could be physically coated on the surface of the Fe2O3 nanoparticles with both the two methods. Whereas the composite nanoparticles prepared by TSB method had better structure, in which the Fe2O3 nanoparticles exhibited better dispersion and the depth of the HTPB was uniform. After the composite process for the hydrophilic Fe2O3, the composite nanoparticles showed hydrophobicity. As a result, it can be deduced that the Fe2O3 nanoparticles in Fe2O3/HTPB composite nanoparticles had better dispersion in solid propellant. Related Articles | Metrics Note Ionothermal Synthesis and Characterization of Crystalline Zirconium phosphate from Oxalic Acid/Tetrapropyl Ammonium Bromide System LIU Lei, WANG Wei, WEI Hai-Bo, ZHANG Tong, DONG Jin-Xiang Acta Chimica Sinica 2011, 69 (24): 3033-3036. DOI: 10.6023/A1106152 Published: 26 August 2011 Abstract (1444) PDF (1226KB)(1061) Knowledge map By ionothermal synthesis method, a series of syntheses have been performed in an attempt to synthesize novel zirconium phosphate materials in an oxalic acid/tetrapropyl ammonium bromide ionic eutectic mixture. The two different zirconium phosphate materials, α-Zr(HPO4)2•H2O and (NH4)Zr2(PO4)3 have been achieved by changing the synthetic conditions, tetrapropyl ammonium cation could not play its template role to form a new zirconium phosphate and the latter was synthesized at a high temperature (220 ℃) by templating the cation in situ generated from the ionothermal decomposition of the tetrapropyl ammonium (TPA) component. However, after adding a small amount of N-containing heterocyclic compound (piperazine), a known open-framework zirconium phosphate with 8-ring pore channels was obtained. The protonated piperazine not only plays a template role to form the zirconium phosphate framework but also acts as counter-ions to balance the anion framework. The used deep-eutectic solvent, therefore, can be used as an excellent ionic reaction medium to synthesize zirconium phosphate materials, the organic amine could be added to the initial reaction mixture to induce zirconium phosphate framework. Related Articles | Metrics Note Effect of Multi-cycle Desulfurization and Regeneration on Surface Structure and Regeneration Performance of Desulfurizer Ce-Fe/ZnO SHAO Chun-Hong, LI Fen, WANG Lu, PANG Jing, WANG Wei Acta Chimica Sinica 2011, 69 (24): 3037-3042. DOI: 10.6023/A1104251 Published: 26 September 2011 Abstract (1397) PDF (803KB)(813) Knowledge map The micro structure of CFZ desulfurizer after desulfurization and regeneration in multi-cycle has been characterized by means of transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectrometry (XPS). The variation of the multi-cycle desulfurization and regeneration structure of desulfurzer has been analyzed as well. Therefore, with a view of micro structure, the effect of the variation of desulfurizer structure upon the performance of desulfurizer has been observed. It is demonstrated that the morphology was not changed greatly, the specific surface area decreased to 66.8%. However, the distributions of pores has been modified a great deal, and apparently, the larger and smaller pore sizes appeared to reduce conspicuously, and the pores of 10~50 mm increased up to 44.6%. During the regeneration, the sulfate has been produced. It is proven that the structure of desulfurizer was not modified too much after regeneration desulfurization from 2 to 5 times of regeneration, and the performance of desulfurizer reached to stability. Therefore, it is concluded that the main factors to the perfommance of the desulfurizer are of both the surface structure of the desulfurizer and the coverage of desulferizer surface with the sulfate in regeneration. And the accumulated sulfur capacity is of 12.8% after six-times of desulfurization and five-times of regeneration, which is 5.56 times that of fresh desulfurizer in one time of desulfurization. Related Articles | Metrics Cited: Baidu(5) Note Research on Hydrolysis of Dimethoate and Omethoate by Means of Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy (ATR-FTIR) XIE Zhi-Gang, LI Si Acta Chimica Sinica 2011, 69 (23): 2896-2900. DOI: 10.6023/A1104092 Published: 29 July 2011 Abstract (1804) PDF (407KB)(1060) Knowledge map The vibrations of dimethoate and omethoates molecular structure, and their corresponding features of varying structures under acidic and basic conditions, were further explored by means of attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR). According to the results, ATR-FTIR can significantly distinguish the different vibrational peaks of dimethoate and omethoate. These peaks at 3302 cm-1 νas (NH), 3089 cm-1 νas (CH2), 1739 cm-1 ν (C—O), 1554 cm-1 ν (O=C—N) II of omethoate were obviously different from corresponding structure vibrational peaks of dimethoate molecule. Under base condition, the vibrational peaks feature of dimethoate in ATR-FTIR at hydrolysis process was that the broad peak 2108 cm-1 became strong, while the vibrational peaks feature of omethoate showed ν (P=O) red shift and ν (P—O—C) blue shift. Under different acidic condition, vibrational peaks of NH and CH3 in dimethoates ATR-FTIR at mid and high band spectra were strong, while all vibrations of omethoates structure in ATR-FTIR were weak, owing to the whole of its molecule chain being destructed. These results were complementary to demonstrate the internal molecular structure differences between dimethoate and omethoate, and to demonstrate the influence changes of vibrational structures caused by hydrolysis process at acidic and basic conditions. The results could provide more information for distinguishing the similar molecular structures, especially having nice structure differences in different molecules, with convenient and efficient tools, and also the results could provide useful reference for studying molecular structures and morphological changes. Related Articles | Metrics Cited: Baidu(7) Note Enantioseparation of Chiral Compounds on SBA-15 Coated with Cellulose tris-(3,5-dimethylphenylcarbamates) as the Stationary Phase for High Performance Liquid Chromatography DU Ming-Xia, XU Mao-Zhen, SHAO Xin, PU Xi-Peng, LI Wen-Zhi Acta Chimica Sinica 2011, 69 (22): 2746-2750. Published: 29 July 2011 Abstract (1779) PDF (1018KB)(1335) Knowledge map Cellulose-tris(3,5-dimethylphenylcarbamates) (CDMPC) coated on mesoporous silica SBA-15 (SBA@CDMPC) with a high surface area and large pore diameters was applied in chiral high performance liquid chromatography (HPLC). The direct enantioseparation of seven chiral compounds has been achieved using n-hexane/alcohol as the mobile phase. Chromatographic behavior of chiral compounds on SBA@CDMPC was compared with that on CDMPC coated on silica gel (SG@CDMPC) by hexane-isopropanol as the mobile phase. The result suggests that SBA@CDMPC shows high chiral recognition abilities in chiral HPLC. SBA@CDMPC is a suitable chiral stationary phase (CSP) for the optical resolution of a lot of racemates by HPLC. Reference | Related Articles | Metrics Note Selective Recognition of Precious Metals From Automotive Catalyst Residue by Thiacalix[6]arene Derivative LI Chun-Bin, YUE Yu-Lian, WANG Jian-Feng, CHEN Hui-Ying, FAN Sheng-Di Acta Chimica Sinica 2011, 69 (22): 2751-2754. Published: 04 July 2011 Abstract (1222) PDF (381KB)(958) Knowledge map A new derivative matter acetylthiomethylthiacalix[6]arene (TC6A-CH2SCOCH3) has been synthesized by modified the upper rims of p-tert-butylthiacalix[6]arene (TC6A) in anhydrous DMF. The metal extraction properties of TC6A-CH2SCOCH3 from automotive catalyst residue solution containing platinum-group metal (PGM) cations have been investigated. It shows that the highest extractability for Pd and second highest one for Zr are ca. 86.2% (in pH 1.5 PGM solution) and 57.3% (in pH 4.0 PGM solution) respectively. Related Articles | Metrics Note Low Temperature Synthesis of LiFePO4/C Nanocomposite in DMSO/H2O System CHANG Zhao-Rong, LIU Yao, TANG Hong-Wei, ZHAO Hai-Li, HUANG Jing Acta Chimica Sinica 2011, 69 (21): 2632-2636. DOI: 10.6023/A1103312B Published: 04 July 2011 Abstract (1548) PDF (1216KB)(957) Knowledge map Nanometer-sized LiFePO4 with a well-developed olivine-type structure was synthesized in the dimethyl sulfoxide (DMSO)/H2O system under ambient pressure and 108 ℃. From IR analysis, less amount of Fe3+ ions were proved to exist in the composite by solution-phased method. The sphere-like LiFePO4/C nanocomposite was obtained by sintering the mixture of nanometer-sized LiFePO4 and glucose at 600 ℃ under inert atmosphere for 3 h. The electrochemical tests showed the specific capacity of LiFePO4/C nanocomposites at discharge rates of 0.2 C was 157.2 mAh/g. A capacity of 126.1 mAh/g at 5 C and 103.4 mAh/g at 10 C was even achievable, with no significant capacity fading after 200 cycles. Related Articles | Metrics Note Preparation and Standard Molar Enthalpy of Formation for the Octahedron BaMoO4 Nanostructures WANG Lu-De, WANG Teng-Hui, GUO Yun-Xiao, HUANG Zai-Yin Acta Chimica Sinica 2011, 69 (21): 2637-2640. DOI: 10.6023/A1103063B Published: 12 July 2011 Abstract (1687) PDF (512KB)(1441) Knowledge map The relationship of standard molar enthalpy of formation between nano and bulk BaMoO4 was obtained by designing a thermo chemical cycle according to thermodynamic potential function method, and the heat of reaction that nano BaMoO4 reacted with HCl could be gotten by microcalorimetry, based on the known standard molar enthalpy of formation, which was -1507.5 kJ•mol-1 of the bulk BaMoO4, standard molar enthalpy of formation for octahedron BaMoO4 nanostructures prepared by inverse microemulsion at 298.15 K was calculated as (-336.62±0.33) kJ•mol-1, the different value of two kinds of materials proved that the energy state of nano materials was higher and more unstable. Related Articles | Metrics Note Two Novel Diterpenes Isolated from the Flower Buds of Daphne genkwa XIA Su-Xia, LI Ling-Zhi, LI Fei-Fei, PENG Ying, SONG Shao-Jiang, GAO Pin-Yi, TANG Si Acta Chimica Sinica 2011, 69 (20): 2518-2522. Published: 28 June 2011 Abstract (1255) PDF (358KB)(1013) Knowledge map Daphnane-type diterpenes showed potent anti-tumour activities, the flower buds of Daphne genkwa which was rich in daphnane-type diterpenes were subject to phytochemical investigation resulting in the isolation of two novel diterpenes (1, 2) and a known diterpene 3, they were elucidated as 12-O-(2E,4E-decadienoyl)-4-hydroxyphorbol-13-acetyl (1), isoyuanhuadine (2) and yuanhuadine (3) by spectroscopic data, including 1H NMR, 13C NMR, HSQC, HMBC, NOESY, ESI-MS and HR-ESI-MS. The new compound isoyanhuadine is yuanhuadines cis-isomer. Related Articles | Metrics Cited: Baidu(10) Note Kinetics Study of the Synthesis of Butyl(2-azidoethyl)nitramine from the Reaction of 2-[Butyl(nitro)amino]ethyl nitrate with Sodium Azide CHEN Xiao-Wei, ZHAN Zu-Jin, LI Pu-Rui, GE Zhong-Xue, LEI Ming Acta Chimica Sinica 2011, 69 (20): 2523-2526. Published: 16 June 2011 Abstract (1287) PDF (416KB)(1038) Knowledge map The reaction of 2-[butyl(nitro)amino]ethyl nitrate (BuNENA) with sodium azide is a classical method for synthesis of butyl(2-azidoethyl)nitramine (BuAENA). The kinetics of this reaction was investigated at 62, 70 and 80 ℃. The concentration of BuNENA in reaction process were determined by high performance liquid chromatography (HPLC) and the reaction rate constants were obtained by fitting the experimental data. The results showed that the overall reaction was of the second-order and the order of reaction for 2-[butyl(nitro)amino]ethyl nitrate and sodium azide was first-order for each, the apparent activation energy was 85.06 kJ•mol-1. It was demonstrated that the velocity of the reaction was greatly influenced by concentration of reactants and reaction temperature. Related Articles | Metrics Cited: Baidu(2) Note Theoretical Study on C6F5X+ (X=Cl, Br, I, CH3) Cations PEI Yu-Wei, LU Sheng-Lan, LI Wen-Zuo, GONG Bao-An, CHENG Jian-Bo, SUN Jia-Zhong Acta Chimica Sinica 2011, 69 (20): 2527-2530. Published: 18 June 2011 Abstract (1170) PDF (353KB)(1290) Knowledge map The C6F5X+ (X=Cl, Br, I, CH3) cations were studied using the DFT B3LYP method in conjunction with the 6-311G (d,p), 6-311+G (d,p), and LanL2dz basis sets. The geometries of the electronic ground-state cations were optimized and the vertical ionization potential (VIP) and adiabatic ionization potential (AIP) of the parent molecules were calculated. The calculated results indicated that the symmetries of the four cations are same as their parent molecules, while the geometric parameters are different. The B3LYP/6-311+G (d,p) calculated vertical ionization potential and adiabatic ionization potential values of the C6F5X (X=Cl, Br, I, CH3) molecules are in good agreement with the available experiments. Related Articles | Metrics Note Multiproduct Reactions in High Temperature Water: Model Building and Mechanism Investigation WANG Zhi-Zhong, WANG Yuan-Yuan, CHANG Yong-Juan, DAI Li-Yi Acta Chimica Sinica 2011, 69 (18): 2191-2195. Published: 06 May 2011 Abstract (1102) PDF (755KB)(845) Knowledge map Multiproduct reactions of geraniol with H3O+and (H2O)6 model in high temperature water (HTW) have been investigated by the use of density functional theory calculations. A model considering both HTW ambient and water molecular is built to investigate the reaction and the results show that the reaction is total acid-base catalyzed in high temperature. The two influence factors have been investigated separately. The energy barrier of this reaction is 205.8 kJ/mol. The results show that the local water number has more effect than overall environment. Related Articles | Metrics Note Label-free and Sandwich Aptamer-based Electrochemical Biosensor for the Determination of Cocaine SHANG Guan-Li, QI Hong-Lan, LING Chen Acta Chimica Sinica 2011, 69 (18): 2196-2200. Published: 23 May 2011 Abstract (1449) PDF (547KB)(1770) Knowledge map A label-free and sandwich aptamer-based electrochemical biosensor for simple and sensitive determination of cocaine was developed based on double-strand nucleotide aptamer. Capture ss-DNA was immobilized on gold surfaces by means of self-assembly technique to fabricate cocaine aptamer-based biosensor. In the presence of target cocaine and detected aptamer probe, two fragments folded with cocaine and formed a sandwich complex on the electrode surface. Based on the difference binding ability of [Ru(NH3)6]3+ to ss-DNA and sandwich complex, a simple and highly sensitive electrochemical method was developed for the determination of cocaine by detecting the charge of [Ru(NH3)6]3+ adsorbed on the electrode surface by chronocoulometry. Under the optimized conditions, the charge response was linear with the concentration of cocaine from 1 mmol/L to 50 mmol/L. The detection limit was 0.1 mmol/L. The developed method allows the detection of cocaine in a serum sample with recovery in 96.4%~104%. This design strategy is easy to generalize for any aptamer without prior knowledge of its secondary or tertiary structure, and would be used as a simple, sensitive and general tool for biomolecule detection. Related Articles | Metrics Cited: Baidu(11) page Page 1 of 3 Total 88 records First page Prev page Next page Last page