本期目录

2011年, 第22卷, 第09期 刊出日期:2011-09-20
  

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  • Hui Hong, Long Jiang Huang, Da Wei Teng
    中国化学快报. 2011, 22(09): 1009-1012. https://doi.org/10.1016/j.cclet.2011.01.042
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A new synthesis of spirocyclic oxindole analogue spirofpiperidine-4, 3'-pyrrolo[2, 3-b]pyridin]-2'(1'H)-one 1 is described. The key steps involve dialkylation of arylacetonitrile and cyclization of the azaoxindole ring by an intramolecular Buchwald-Hartwig amidation of carboxylic amide and aryl chloride. A small library was obtained by reductive amination of 1 with various aldehydes and was screened against human lung cancer cell A549, human liver cancer cell BEL7402, and human colon cancer cell HCT-8. The results show that most of the library compounds 2 have some inhibitory activities. 2-(Trifluoromethoxy) benzylic substituted spirocyclic azaoxindole 2e was identified as a nanomolar inhibitor against human lung cancer cell A-549 (IC50=50 nmol/L).
  • Hua Yang Zhao, Yi Ming Li, Tian Jun Gong, Qing Xiang Guo
    中国化学快报. 2011, 22(09): 1013-1016. https://doi.org/10.1016/j.cclet.2011.03.007
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    A novel fluorescent Zn2+ probe based on 6-methoxyquinolin was synthesized in four steps from inexpensive starting materials. It exhibits very strong fluorescence responses and has a remarkably high selectivity to Zn2+ than other physiological relevant metal ions. This new compound could be used as low-priced yet high-quality Zn2+ probe.
  • Wei Ju Zhu, Zhen Yu Wu, Ji Ming Song, Cun Li
    中国化学快报. 2011, 22(09): 1017-1020. https://doi.org/10.1016/j.cclet.2011.05.008
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Two new functional polyacetylenes bearing carbazole group as pendant, poly {3-[(4-ethynylstyryl)-N-butyl] carbazole}(P1) and poly{3-[4-(prop-2-ynyloxy)phenyl-N-butyl]carbazole)(P2), were prepared using[Rh(nbd)Cl]2-Et3N as catalyst. The polymers were soluble in common organic solvents such as CHCl3 and THF. Their structures and properties were characterized and evaluated with FTIR, 1H NMR, UV, TGA, GPC, and CV, respectively. The results show that the polymers possess high thermal stability and well hole-injection property.
  • Sun Lin Feng, Chuan Zhi Liu, Qiang Li, Xiao Chun Yu, Qing Xu
    中国化学快报. 2011, 22(09): 1021-1024. https://doi.org/10.1016/j.cclet.2011.03.014
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    By using the famous Wilkinson's catalyst, N-alkylation of sulfonamides can be easily realized under mild aerobic conditions by using alcohols as the alkylating reagent, giving monoalkylated sulfonamides in high yields and selectivities with water produced as the only byproduct. This advantageous aerobic method is potentially general in substrate scope that it can also be applied to other amides, amines and alcohols.
  • Zheng Kai Si, Qing Zhang, Min Zhao Xue, Yuan Yuan Zhu, Liang Ming, Qiao Rong Sheng, Yan Gang Liu
    中国化学快报. 2011, 22(09): 1025-1028. https://doi.org/10.1016/j.cclet.2011.04.001
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Three novel bis-chalcone derivatives with different alkyldioxy spacers were synthesized and dispersed into polymethyl methacrylate (PMMA) chloroform solution with 6-nitro-1'-ethyl-3', 3'-dimethylspiro-2H-1-benzopyran-2, 2'-indoline (ESP) to prepare photochromic PMMA films in a facile way. After irradiation with 365 nm UV light, the photocrosslinking reaction between chalcone units was proved to retard the decolorization of merocyanine form of the photochromic spiropyran effectively, as results of the steric hindrance produced by photocycloaddition of chalcone groups. It has been found that the bis-chalcone molecule with the shortest spacer has the most effective stabilizing effect on retardation of decoloration of spiropyran.
  • Amin Rostami, Firoz Ahmad-Jangi
    中国化学快报. 2011, 22(09): 1029-1032. https://doi.org/10.1016/j.cclet.2011.03.015
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Aromatic aldehydes undergo crossed-aldol condensation with ketones in the presence of catalytic amount of sulfamic acid (SA) to afford the corresponding α, β-unsaturated aldol products under solvent-free conditions in good to high yields at 45-80℃.
  • Shao Peng Chen, Yue Sun, Sheng Biao Wan, Tao Jiang
    中国化学快报. 2011, 22(09): 1033-1035. https://doi.org/10.1016/j.cclet.2011.01.013
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    A novel 4-anilinoquinazoline dimer linked by a carbon-carbon bond in the C-7 position was synthesized via a one step Suzuki cross-coupling reaction. All structures of new compounds were characterized by 1H NMR, 13C NMR, and HRMS. The inhibition rate of the synthetic 4-anilinoquinazoline dimer 8 against epidermal growth factor receptor-tyrosine kinase enzymes (EGFR) in vitro was 44.4% at the concentration of 5.5 μmol/L.
  • Xin Jian Song, Yu Shao, Xing Gao Dong
    中国化学快报. 2011, 22(09): 1036-1038. https://doi.org/10.1016/j.cclet.2011.05.012
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A facile microwave-assisted procedure for synthesis of novel fluorinated pyrazolo[3, 4-d]pyrimidine derivatives containing 1, 3, 4-thiadiazole is described. This protocol presented such advantages as short reaction time, high yields, simple purification and environmentally benign procedures. Their antitumor activities were evaluated against HL-60 by an MTT assay. The preliminary results indicated that some title compounds exhibit more potent antitumor inhibitory activity than doxorubicin (DOX).
  • Madhav S. Mane, Ravi S. Balaskar, Sandip N. Gavade, Pramod N. Pabrekar, Murlidhar S. Shingare, Dhananjay V. Mane
    中国化学快报. 2011, 22(09): 1039-1042. https://doi.org/10.1016/j.cclet.2011.03.016
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    The regiospecific oxidation of alkyl group of both sterically hindered and unhindered aromatic amine to corresponding carbonyl compound was done in aq. medium by using DDQ. The optimized reaction protocol was found to be most simple, high yielding and novel method for oxidation of alkyl group of aromatic amine in to its carbonyl compound.
  • Ge Meng, Yao Wu Sha, Rui Zhang, Nan Bai
    中国化学快报. 2011, 22(09): 1043-1046. https://doi.org/10.1016/j.cclet.2011.03.009
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Formamidine derivatives could be used as the building blocks for substituted heterocyclic compounds with various biological activities. N'-Aryl-N, N-dimethylformamidinium chlorides have been synthesized in high yields by reaction of aromatic primary amines with Vilsmeier-Haack reagent at room temperature. The structures of all the new compounds were identified by ESI-MS, IR and NMR spectra. The steric structures of some of these compounds were clarified by X-ray single crystal analysis.
  • Jian Hai Yang, Li Yan Dai, Xiao Zhong Wang, Ying Qi Chen
    中国化学快报. 2011, 22(09): 1047-1050. https://doi.org/10.1016/j.cclet.2011.03.017
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Dicyclopentyl azodicarboxylate is introduced as a new azo-reagent which can be conveniently prepared in two steps and be used in the Mitsunobu reaction. Though there are no distinct difference of reactivity between DCpAD and DEAD, the former is a more preferable azo-reagent for its stability.
  • Hai Guang Zhang, Xu Tang Tao, Kao Shan Chen, Chun Xue Yuan, Shi Na Yan, Min Hua Jiang
    中国化学快报. 2011, 22(09): 1051-1054. https://doi.org/10.1016/j.cclet.2011.03.013
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A new two-photon absorption compound, 2-{4-[(dicyanomethylidene-5, 5-dimethylcyclohexl)vinyl]phenyl}imidazo[4, 5-f] [1, 10]phenanthroline (DDVPIP), was synthesized and characterized. The one-photon excited fluorescence (OPRF) and two-photon excited fluorescence (TPEF) of DDVPIP are sensitive to the acid/base of the solution, which are enhanced in basic solution but weakened in acidic solution. Charge-transfer (CT) states of DDVPIP were calculated through theory methods to explain its acid/base-sensitive fluorescent properties.
  • Yi Bo Huang, Wen Bin Yi, Chun Cai
    中国化学快报. 2011, 22(09): 1055-1058. https://doi.org/10.1016/j.cclet.2011.03.010
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A convenient method for Morita-Baylis-Hillman reaction of arylaldehydes with methyl acrylate has been developed by using fluorous-tag organocatalyst l-[4-(perfluorooctyl)phenyll-3-phenylthiourea and DABCO at room temperature. The fluorous organocatalyst could be recovered from the reaction mixture by fluorous solid-phase extraction (F-SPE) with excellent purity for direct reuse.
  • Majid M. Heravi, Hossein A. Oskooie, Narges Karimi, Hoda Hamidi
    中国化学快报. 2011, 22(09): 1059-1062. https://doi.org/10.1016/j.cclet.2011.03.012
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    An efficient green protocol for the preparation 3, 4, 6-trisubstituted 2-pyridone of employing a condensation reaction of cyanoacetamide and acetylacetone in the presence of KAl(SO4)2·12H2O in water has been described. The present procedure offers advantage such as shorter reaction time, simple workup, and excellent yields.
  • Jing Xiu Xu, Jin Wu Zhao, Zhen Bin Jia
    中国化学快报. 2011, 22(09): 1063-1066. https://doi.org/10.1016/j.cclet.2011.04.004
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    4-Methylene-1, 3-oxazolidin-2-ones can be synthesized from propargylic alcohols, primary amines and carbon dioxide under supercritical condition in the absence of any additional catalyst and solvent. Various propargylic alcohols and primary amines were examined.
  • Davood Nematollahi, Bita Dadpou
    中国化学快报. 2011, 22(09): 1067-1070. https://doi.org/10.1016/j.cclet.2011.05.013
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Electrochemical oxidation of 3-methylcatechol as a model compound has been studied in the presence of 1, 10-phenanthroline as a bi-dentate nucleophile in water/acetonitrile (70/30, v/v) solution using cyclic voltammetry and controlled-potential coulometry. The results revealed that anodically generated 3-methylcyclohexa-3, 5-diene-l, 2-dione participates in inter and intramolecular Michael addition reactions with 1, 10-phenanthroline and via an ECEC pathway converts to the corresponding heterocyclic compound. The present work has led to the development of a facile and one-pot method with high atom economy under ambient conditions and in an undivided cell using a carbon electrode.
  • Yong Lei Yang, Ning Ning Wan, Wen Ping Wang, Zheng Feng Xie, Ji De Wang
    中国化学快报. 2011, 22(09): 1071-1074. https://doi.org/10.1016/j.cclet.2011.04.014
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Schiff base-Cu(Ⅱ) complex is found to be an effective catalyst for the condensation reaction of indole with aldehydes using ethanol as the solvent. The characterization of the catalysts was carried out using XRD and FT-IR.
  • Ling Jing, Neng Jiang Yu, Yu Shan Li, Le Fu, Yi Min Zhao
    中国化学快报. 2011, 22(09): 1075-1077. https://doi.org/10.1016/j.cclet.2011.03.004
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Two novel 5-methoxydibenzylhydroxybutyrolactone lignans named 5-methoxytracheloside and 5-methoxytrachelogenin were isolated from the stems and leaves of Trachelospermum jasminoides (Lindl. ) Lem., their structures were determined as (8S, 8'S)-8'-hydroxy-3, 3', 4, 5-tetramethoxylignan-9, 9'-olide-4'-O-β-D-glucopyranoside and (8S, 8'S)-4', 8'-dihydroxy-3, 3', 4, 5-tertra-methoxylignan-9, 9'-olide by various spectroscopic analysis. 5-Methoxytracheloside was a new compound and 5-methoxytrachelogenin was isolated from natural source for the first time.
  • Jian Hong Yang, Jian Xin Pu, Xue Du, Hai Bo Zhang, Wei Lie Xiao, Han Dong Sun
    中国化学快报. 2011, 22(09): 1078-1080. https://doi.org/10.1016/j.cclet.2011.04.002
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Two new compounds, corialins A (1) and B (2) were isolated from Coriaria nepalensis Wall. These new compounds were established as 7-hydroxy-3-[2, 3-acetonide-(3-methylbutane)] coumarin (1) and 3-O-β-D-glucopyranosyl-3, 4, 5-trihydroxy-1-(3-methyl-2-butenyl)-benzene (2), on the basis of ID and 2D NMR techniques.
  • Sushma Semwal, Rajni Kant Sharma
    中国化学快报. 2011, 22(09): 1081-1083. https://doi.org/10.1016/j.cclet.2011.05.034
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A new lignan rhamnoside identified as 2, 6-di(4', 5'-dihydroxyphenyl)-3, 7-dioxabicyclo[3.3.0]octane-1-hydroxy-5-O-rhamno-pyranoside (1) has been isolated from the ethanolic extract of seed pods of Bauhinia retusa. Its structure was established by extensive spectroscopic techniques (UV, IR, ID NMR, 2D NMR, HRESIMS).
  • Zahid Hussain, Khalid Mohammed Khan, Khadim Hussain, Sadam Hussain, Shahnaz Perveen
    中国化学快报. 2011, 22(09): 1084-1086. https://doi.org/10.1016/j.cclet.2011.03.019
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A novel method for the cation analysis was investigated. The analysis is based on the sparking of the salts of metals in a microwave oven after placing in a graphite cell. The graphite cell absorbs microwaves and produces high temperature which converts the salt into light emitting species. The colour of light was found to dependent on the nature of cation, however, the intensity of the emitted light was found to be depending upon the form and shape of the graphite assembly in addition to the concentration of the salt. This communication presents explanation for all these observations and for the systematic and quantitative analysis using microwave spark emission technique.
  • Ali Benvidi, M. T. Ghanbarzadeh, M. Mazloum-Ardakani, R. Vafazadeh
    中国化学快报. 2011, 22(09): 1087-1090. https://doi.org/10.1016/j.cclet.2011.03.008
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A PVC membrane electrode based on copper(Ⅱ) bis(N-2-bromophenylsalicyldenaminato) as ionophor was prepared. The ion selective electrode was tested by inorganic anions and showed a good selectivity for iodide ion. This sensor exhibited Nernstian behavior with a slope of -57.8 mV per decade at 25℃. The proposed electrode showed a linear range from 1.0×10-5 to 1.0×10-1 mol/L with a detection limit of 5.0×10-6 mol/L. The electrode response was independent of pH in the range of 3.0-10.0. The proposed sensor was applied to determine the iodide in water and antiseptic samples.
  • Chen Dong Shuang, Feng Yang, Fei Pan, Qing Zhou, Wei Ben Yang, Ai Min Li
    中国化学快报. 2011, 22(09): 1091-1094. https://doi.org/10.1016/j.cclet.2011.04.009
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    Magnetic anion exchange resin (MD-1) was prepared from quaternization of magnetic copolymeric resin (glycidyl methacry-late-co-divinylbenzene). For comparison, magnetic resin MD-0 without quaternization and non-magnetic resin (D-1) were also synthesized for the adsorption process. It was found that the adsorption was mainly contributed to the chemical interaction between quaternary ammonium groups and reactive blue RXHC. Due to the smaller size, MD-1 had faster adsorption and desorption kinetics than D-1. Coupled with the advantage of easy separation, the magnetic anion exchange resin was considered to be superior to common anion exchange resin in removal of reactive dye.
  • Liang Pei, Li Ming Wang
    中国化学快报. 2011, 22(09): 1095-1098. https://doi.org/10.1016/j.cclet.2011.03.020
    摘要 ( ) PDF全文 ( ) 可视化 收藏
    A novel kind of supported combined liquid membrane (SCLM) has been studied for the Gd(Ⅲ) transfer. SCLM contained polyvinylidene fluoride membrane (PVDF) as the liquid membrane support and renewal solution including HNO3 solution as the stripping solution and 2-ethyl hexyl phosphonic acid-mono-2-ethyl hexyl ester (HEH(EH)P) as the carrier dissolved in kerosene. The mixed solution of carrier and kerosene was membrane solution. The optimum transport conditions of Gd(Ⅲ) were that concentration of HNO3 solution was 4.00 mol/L, concentration of carrier was 0.16 mol/L, and volume ratio of membrane solution to stripping solution was 30:30 of the renewal phase, and pH value was 4.80 of the feed phase. Under the optimum condition studied, when initial concentration of Gd(Ⅲ) was 1.00×10-4 mol/L, the transfer rate of Gd(Ⅲ) was 96.8% during 130 min.
  • Wan Min Liu, Guo Rong Hu, Zhong Dong Peng, Ke Du, Yan Bing Cao, Qiang Liu
    中国化学快报. 2011, 22(09): 1099-1102. https://doi.org/10.1016/j.cclet.2011.01.041
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    Spherical Ni0.8Co0.15Al0.05OOH precursor, prepared by a co-oxidation-controlled crystallization method, was used to synthesize LiNi0.8Co0.15Al0.05O2. The obtained LiNi0.8Co0.15Al0.05O2 materials showed excellent electrochemical performance, with an initial discharge capacity of 193.5 mAh/g and capacity retention of 95.1% after 50 cycles when cycled at 0.2 C rate between 2.8 and 4.3 V.
  • Qing Hu Zeng, Xiang Bai, Jia Jun Zheng, Jia Qi Chen, Rui Feng Li
    中国化学快报. 2011, 22(09): 1103-1106. https://doi.org/10.1016/j.cclet.2011.04.006
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    A zeolite composite composed of ZSM-5 and β-zeolites has been synthesized by a procedure of the nucleation and crystallization of ZSM-5 zeolite in the hollow β-zeolite. The property of β-zeolite crystals with aluminum-poor interior and aluminum-rich outer rim results in silicon extraction favorably in the aluminum-poor bulk rather than the aluminum-rich external surface. Subsequently, alkaline treatment of β-zeolite crystals during the second-step synthesis leads to a preferential dissolution of the aluminum-poor center and the formation of hollow β-zeolite crystals. ZSM-5 zeolite crystals are therefore embedded and grown within the hollow β-zeolite. The catalytic activities of Co-Hβ, Co-HZSM-5 and Co-HZSM-5/BEA are investigated during the reaction of methane catalytic reduction NO in the presence of O2.
  • Rong Li, Guang Mei Chen, Xin Lan Ma, Qiao Yan Chen, Ge Wen Xu, Yi Ping Huang
    中国化学快报. 2011, 22(09): 1107-1110. https://doi.org/10.1016/j.cclet.2011.03.018
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    Terephthaloyl chloride (DB)-modified silk fibroin (SF) films were immersed into 1.5 times simulated body fluid (1.5 SBF) to regulate the mineralization of hydroxyapatite (HA) crystals at about 36.5℃ for 24 h. UV was used to prove that the new bonds form between the DB and SF. The structure and morphology of the SF/HA were investigated by FTIR, ICP, XRD and SEM. The results showed that the apatite deposited on the matrix of SF mainly was HA. HA was self-assembled on the matrix of SF and formed three-dimensional framework when the weight ratio of DB/SF was 0.30. The content of DB affected the structure and morphology of the apatite composites deposited on the SF films.
  • Xiao Dong Li, Mao Sheng Zhan, Kai Wang
    中国化学快报. 2011, 22(09): 1111-1114. https://doi.org/10.1016/j.cclet.2011.04.008
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    Two homologous series of bent-shaped molecules composed of low bent-angle naphthalene central core and long alkoxy tail or alkylthio tail, N(1, 7)-n-OPIMB and N(1, 7)-n-SPIMB (n=20, 22), respectively, were synthesized. The mesomorphic properties were investigated by differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD). Compared to the direct transition from the isotropic phase to the chiral B4 phase examined in N(1, 7)-n-OPIMB, N(1, 7)-n-SPIMB exhibited a rare Iso-Ncol-Colh-B4 phase sequence. The combination of the asymmetric low bent-angle 1, 7-naphathalene central core and the flexible long alkylthio tail is considered to play an important role in the formation of such a novel phase sequence.
  • Ling Ling Bai, Yong Hao Zhou, Xiu Li Wang, Si Guo Yuan, Xian Li Wu
    中国化学快报. 2011, 22(09): 1115-1118. https://doi.org/10.1016/j.cclet.2011.03.011
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    A combination of photochlorination of p-xylene and succedent Friedel-Crafts alkylation polymerization was firstly used in the preparation of the hypercrosslinked adsorptive resin. The data of GC-MS and GC showed that a series of chlorizates were produced when p-xylene was photochlorinated. Hypercrosslinked resins could be synthesized by copolymerization, self-polymerization of chlorizates or post crosslinking reaction. The chemical structure and micromorphology of the porous resins were characterized by BET, FT-IR, SEM and elementary analysis (EA). The results showed that the novel adsorptive resins possess high BET surface near to 1038 m2/g and large pore volumes range from 0.5 to 1.2 cm3/g.
  • Rui Gang Hou, Ling Min Yi, He Ming Lin, Jia Wei Li, Chuan Xia Huang
    中国化学快报. 2011, 22(09): 1119-1122. https://doi.org/10.1016/j.cclet.2011.04.003
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    Amphiphilic fluorosiloxane graft copolymers with a poly(dimethylsiloxane) (PDMS) backbone, a hydrophobic fluorosiloxane side-chain and three hydrophilic polyether side-chains were synthesized by hydrosilation reaction in this work. The micellization of amphiphilic graft copolymers in the water/ethanol solvent system was investigated, and vesicles with different size were formed after the self-assembly system was aged for different time.
  • Song Wei Tan, Hong Jun Wang, Ke Hua Tu, Hong Liang Jiang, Li Qun Wang
    中国化学快报. 2011, 22(09): 1123-1126. https://doi.org/10.1016/j.cclet.2011.04.005
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    Three model drugs with different function groups were chosen to dialyze with dextran-graft-poly (N-isopropylacrylamide). Only ibuprofen could induce the formation of drug loaded micelles, which was confirmed with dynamic light scattering and transmission electron microscope. Hydrogen-bonding between the amide groups of poly (N-isopropylacrylamide) and the carboxyl groups of ibuprofen was driving force for the drug-loaded micelle. It was also found that the diameter of the ibuprofen-loaded micelles changed reversibly against temperature.
  • Shan Shi, Tao Wang, Yan Tao Tang, Li Min Zhou, Shin Ichi Kuroda
    中国化学快报. 2011, 22(09): 1127-1129. https://doi.org/10.1016/j.cclet.2011.04.018
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    Submicron-sized peanut-shaped poly(methyl methacrylate)/polystyrene (PMMA/PS) particles were successfully synthesized by seeded soap-free emulsion polymerization of styrene on the spherical crosslinked PMMA seed particles. The obtained peanut-shaped particles showed a novel internal morphology:PS phase formed one domain which linked to the other domain having PMMA core encased by PS shell.
  • Tao Lu, Yuan Yuan Qiao, Pan Wen Shen
    中国化学快报. 2011, 22(09): 1130-1134. https://doi.org/10.1016/j.cclet.2011.05.001
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    A ligand is a small molecule bind to several residues of a receptor. We adapt the concept of molecular path for effective ligand search with its contacting residues. Additionally, we allow wild type definitions on atoms and bonds of molecular paths for fuzzy algorithms on structural match. We choose hydrogen bond interactions to characterize the binding mode of a ligand by several proper molecular paths and use them to query the deposited ligands in PDBe that interact with their residues in the same way. Expression of molecular path and format of database entries are described with examples. Our molecular path provides a new approach to explore the ligand-receptor interactions and to provide structural framework reference on new ligand design.