2007年, 第18卷, 第12期　刊出日期：2007-12-20

  

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  Knoevenagel condensation of α,β-unsaturated aromatic aldehydes with barbituric acid under non-catalytic and solvent-free conditions

  Cherkupally Sanjeeva Reddy, Adki Nagaraj

  中国化学快报. 2007, 18(12): 1431-1435. https://doi.org/10.1016/j.cclet.2007.10.016

  摘要 ( ) 可视化 收藏

  An efficient route for the synthesis of 5-(arylpropenylidine)-2, 4, 6-pyrimidinetrione 3 from an appropriate α, β-unsaturated aromatic aldehydes 1 and barbituric acid 2 under both non-catalytic and solvent-free microwave irradiation conditions was described. In this way, a range of biologically important compounds 3 was obtained in good to excellent yields (86-98%) in a very short reaction time (30-80 s).
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  One pot synthesis of bis-silicon-bridged stilbene derivatives

  Chen Hui Li, Hua Yu Qiu, Cai Hong Xu

  中国化学快报. 2007, 18(12): 1436-1438. https://doi.org/10.1016/j.cclet.2007.09.039

  摘要 ( ) 可视化 收藏

  Bis-silicon-bridged stilbene derivatives were synthesized in a modified procedure that combined the preparation of bis[2-(silyl) phenyl]acetylene and its intrmolecular reductive cyclization in one pot. The results indicated that the one pot approach produced target products in a comparable yield to that of the two-step method reported previously.
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  Synthesis of novel disulfide-bridged dilactam crown ethers

  Hossein Eshghi, Seyed Mohammad Seyedi, Reza Sandarooss

  中国化学快报. 2007, 18(12): 1439-1442. https://doi.org/10.1016/j.cclet.2007.10.027

  摘要 ( ) 可视化 收藏

  The novel macrocyclic dilactams with redox-switched disulfide linkage were synthesized. These compounds were obtained from 2, 2'-dithiodibenzoyl chloride in the macrocyclization step by fast addition method in moderate yields.
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  Oxidative aromatization of Hantzsch 1,4-dihydropyridines by aqueous hydrogen peroxide-acetic acid

  Zong Yuan Chen, Wei Zhang

  中国化学快报. 2007, 18(12): 1443-1446. https://doi.org/10.1016/j.cclet.2007.10.010

  摘要 ( ) 可视化 收藏

  A simple method for the oxidative aromatization of Hantzsch 1, 4-dihydropyridines to the corresponding pyridines is achieved by using hydrogen peroxide as green oxidant and acetic acid as catalyst in aqueous solution.
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  Iodine catalyzed efficient synthesis of symmetrical diaryl sulfoxides from arenes and thionyl chloride under solvent-free conditions

  Hong She Wang, Jun E. Zeng

  中国化学快报. 2007, 18(12): 1447-1450. https://doi.org/10.1016/j.cclet.2007.10.024

  摘要 ( ) 可视化 收藏

  Synthesis of symmetrical diaryl sulfoxides from arenes and thionyl chloride in the presence of a catalytic amount of iodine at room temperature under solvent-free conditions is described. Mild reaction conditions, easy workup, high yield, and easily available catalyst are important features of this method.
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  A green and efficient deoximation using H₂O₂ catalyzed by montmorillonite-K10 supported COCl₂

  Ali Ezabadi, Gholam Reza Najafi, Mohammed M. Hashemi

  中国化学快报. 2007, 18(12): 1451-1454. https://doi.org/10.1016/j.cclet.2007.09.003

  摘要 ( ) 可视化 收藏

  Oximes were oxidized to the corresponding carbonyl compounds in good to high yields by environmentally friendly and green oxidant, H₂O₂ catalyzed by montmorillonite K-10 supported cobalt (Ⅱ) chloride.
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  Morphological characterization of metal porphyrin tailed with aspirin interacting with bovine serum albumin congeries

  Kai Wang, Lei Wu, Xiu Lan Zhang, Zao Ying Li

  中国化学快报. 2007, 18(12): 1455-1459. https://doi.org/10.1016/j.cclet.2007.09.013

  摘要 ( ) 可视化 收藏

  The porphyrins tailed with acetylsalicylic acid (ASA) and Zn (or Cu) complexes were prepared. Meanwhile, morphological images, such as shape and size of porphyrins-BSA congeries were observed by using atomic force microscopy (AFM). The result showed the interaction of BSA and prepared porphyrins led to obvious change of shape and size of BSA congeries.
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  Nafion-Teflon bimembrane-supported palladium catalysts for Suzuki coupling reactions

  Li Ting Chai, Yang Zhou Li, Wei Wei Wang, Quan Rui Wang, Feng Gang Tao

  中国化学快报. 2007, 18(12): 1460-1462. https://doi.org/10.1016/j.cclet.2007.10.001

  摘要 ( ) 可视化 收藏

  Nafion-Teflon bimembrane was used as an efficient support for the preparation and application of heterogeneous palladium catalysts. The supported palladium catalysts exhibit high activity and stability in the Suzuki cross-coupling of aryl bromides with arylboronic acids to afford the corresponding biaryls in good to excellent yields, and can be readily recovered and reused several times without significant loss of activity.
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  Direct reduction of some benzoic acids to alcohols via NaBH₄-Br₂

  Shi Jie Zhang, Wei Xiao Hu, Hua Qi Chen

  中国化学快报. 2007, 18(12): 1463-1465. https://doi.org/10.1016/j.cclet.2007.10.018

  摘要 ( ) 可视化 收藏

  Direct reduction of seven benzoic acids to alcohols via sodium borohydride-bromine (NaBH₄-Br₂) reagent was developed. The isolated yields for the seven acids to reduce reached 60.6-90.1%. This new synthesis route has the advantages of simple of application, low cost, mild nature, and satisfactory yields.
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  Microwave activated synthesis of 2-aryl-quinazolin-4(3H) ones

  M. Bakavoli, O. Sabzevari, M. Rahimizadeh

  中国化学快报. 2007, 18(12): 1466-1468. https://doi.org/10.1016/j.cclet.2007.10.023

  摘要 ( ) 可视化 收藏

  A highly efficient synthesis of 2-aryl-quinazolin-4 (3H) ones was performed by one-pot oxidative heterocyclization of 2-aminobenzamide with aldehydes in the presence of potassium permanganate in dimethylacetamide under microwave irradiation.
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  Ultrasonicwave-assisted tandem-reaction for synthesis of symmetrical vicinal diamines

  Gen Rong Qiang, Xiang Mei Wu, Qin Wang, Wen Pei

  中国化学快报. 2007, 18(12): 1469-1470. https://doi.org/10.1016/j.cclet.2007.10.019

  摘要 ( ) 可视化 收藏

  A practical synthesis of symmetrical vicinal diamines with broad chemistry scope is described. The key step is the ultrasonicwave promoted tandem-reaction, two-step reaction sequence combining Mannich double condensations with benzotriazole, glyoxal and primary or secondary amines and reduction of the bis (benzotriazole)-adducts with sodium borohydride proceeded smoothly in tetrahydrofuran in high yield at room temperature.
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  Photocatalytic oxidation of primary and secondary benzyl alcohol catalyzed by two coenzyme NAD⁺ models

  Hua Jian Xu, Xiao Lan Xu, Yao Fu, Yi Si Feng

  中国化学快报. 2007, 18(12): 1471-1475. https://doi.org/10.1016/j.cclet.2007.10.009

  摘要 ( ) 可视化 收藏

  Photocatalytic oxidation of primary and secondary benzyl alcohol to corresponding benzaldehyde or acetophenone using Acr⁺ClO₄^- or PhAcr⁺ClO₄^- as photocatalysts under visible light irradiation at room temperature.
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  A new approach to the synthesis of α-chlorocycloalkanones

  Xing Hai Li, Xin Ling Yang, Xiao Mei Liang, Zhen Peng Kai, Yun Ling, Fu Heng Chen, Dao Quan Wang

  中国化学快报. 2007, 18(12): 1476-1478. https://doi.org/10.1016/j.cclet.2007.10.022

  摘要 ( ) 可视化 收藏

  α-Chlorocycloalkanones (Ⅳ) were synthesized from cycloalkanones via potassium α-oxocycloalkylsulfonates (Ⅱ). A two-step mechanism was proposed to explain the formation of Ⅳ from Ⅱ.
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  Synthesis of 6,8-dichloroquinolones utilizing new method and evaluation of their antibacterial activities

  Yun Xu Yang, Hui Yuan Guo

  中国化学快报. 2007, 18(12): 1479-1482. https://doi.org/10.1016/j.cclet.2007.10.012

  摘要 ( ) 可视化 收藏

  Several 6, 8-dichloroquinolone analogues were synthesized from the key intermediate compound of 2, 3, 4, 5-tetrachlorobenzene carbonyl chloride, which was obtained from the starting material of tetrachlorophthalic anhydride. Their in vitro antibacterial activities were evaluated. As a result of this study, compounds 21c and 21d were twofold more potent than ciprofloxacin (CPFX) and norfloxacin (NFLX) against Staphylococcus aureus-9, and with the same potent as CPFX and NFLX while against Escherichia coli-2, but were less potent than references in against Pseudomonas aeruginosa-17.
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  A new route to the synthesis of thieno[2,3-d]pyrimidin-4(3H)-one derivatives catalyzed by 12-tungstophosphoric acid (H₃PW₁₂O₄₀)

  A. Davoodnia, M. Bakavoli, Gh. Barakouhi, N. Tavakoli-Hoseini

  中国化学快报. 2007, 18(12): 1483-1486. https://doi.org/10.1016/j.cclet.2007.10.013

  摘要 ( ) 可视化 收藏

  Heteropoly acid H₃PW₁₂O₄₀ (PW) has been used as an effective catalyst for the synthesis of thieno[2, 3-d]pyrimidin-4 (3H)-one derivatives. The present methodology offers several advantages, such as high yields, short reaction times, mild reaction condition and a recyclable catalyst with a very easy work up.
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  Novel Fréchet-type dendritic BINOL ligands and their applications in Ti (Ⅳ) complex catalyzed asymmetric addition of diethylzinc to aldehydes

  Liang Yin, Chao Feng Wang, Huan Ling Wang, Rong Li, Jian Tai Ma

  中国化学快报. 2007, 18(12): 1487-1489. https://doi.org/10.1016/j.cclet.2007.10.014

  摘要 ( ) 可视化 收藏

  New Fréchet-type dendritic BINOL ligands bearing several BINOL units at the periphery have been successfully synthesized. The (dendritic BINOL) Ti (Ⅳ) complexes were proved to be efficient catalysts for the enantioselective addition of diethylzinc to aromatic aldehydes. Moreover, these ligands could be quantitatively recovered and reused at least five times without a loss of the yield and enantioselectivity.
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  Design and efficient synthesis of novel haptens and complete antigens for the AOZ,a toxic metabolite of furazolidone

  Yu Dong Shen, Yu Wang, Shi Wei Zhang, Zhi Li Xiao, Yuan Ming Sun, Xian Zhang Bu, Lian Quan Gu

  中国化学快报. 2007, 18(12): 1490-1492. https://doi.org/10.1016/j.cclet.2007.10.030

  摘要 ( ) 可视化 收藏

  A good strategy was brought forward for designing efficient haptens and complete antigens for 3-amino-2-oxazolidinone (AOZ). Haptens designed newly were achieved facilely in good yield by using LiCl-N (Et)₃ as new catalysis system, the structure of which was elucidated by spectroscopy analysis, such as NMR and MS. Novel antigens for AOZ were prepared successfully by convenient ester method. The ratios of haptens 3 and 4 to carrier proteins were proven respectively as 41:1 (5a), 39:1 (6a), 11:1 (5b) and 9:1 (6b) by trinitrobenzene sulfonic acid (TNBS) method. The results of indirect competitive ELISA (ic-ELISA) of antiserums indicated that the haptens with a short unsaturated side chain can evoke specific immune response effectively.
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  Synthesis and structure characterization of a novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes

  Zhi Qiang Shi, Ya Qing Feng, Bing Zhao, Wen Xiang Wang

  中国化学快报. 2007, 18(12): 1493-1495. https://doi.org/10.1016/j.cclet.2007.10.015

  摘要 ( ) 可视化 收藏

  A novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes with the reaction between 4-(N-bromoacetylamino)-phthalimide derivatives and calix[4]arene has been synthesized and structurally characterized by IR, ¹H NMR and MS. From their analysis data, it was found that compounds 7a-7d adopted a cone conformation.
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  Novel fluorene-carzazole-based conjugated copolymers containing pyrazoline and benzothiazole segments for blue light-emitting materials

  Hao Chen, Xing Xu, He Gang Yan, Xian Rong Cai, Ying Li, Qing Jiang, Ming Gui Xie

  中国化学快报. 2007, 18(12): 1496-1500. https://doi.org/10.1016/j.cclet.2007.10.005

  摘要 ( ) 可视化 收藏

  A series of novel fluorene-carbazole-based copolymers with pyrazoline and benzothiazole units were synthesized successfully through Suzuki coupling reactions. The molecular structures and thermal properties of these polymers were characterized by FT-IR, ¹H NMR, DSC and TGA. GPC results indicated that the weight-average molecular weight (M_w) and polydispersity of these polymers were in range (12, 000-14, 000) and (1.8-2.0), respectively. The two resulting polymers have high photoluminescence quantum efficiency implying that they may be promising candidates for polymer light-emitting diodes (PLEDs).
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  Synthesis,characterization,photoluminescence and electroluminescence properties of new 1,3,4-oxadiazole-containing rhenium (Ⅰ) complex Re (CO)₃ (Bphen)(PTOP)

  Yan Ping Wang, Wen Fa Xie, Bin Li, Wen Lian Li

  中国化学快报. 2007, 18(12): 1501-1504. https://doi.org/10.1016/j.cclet.2007.10.003

  摘要 ( ) 可视化 收藏

  A new 1, 3, 4-oxadiazole-contanining rhenium (Ⅰ) complex, with the formula[Re (CO)₃ (Bphen)(PTOP)], (Bphen=bathophenardine, PTOP=4-(5-p-tolyl-1, 3, 4-oxadiazd-2-yl) pyridine), is synthesized and characterized by elemental analysis, IR, ¹H NMR, UV-vis and luminescence spectroscopy. The double-layer electroluminescence devices based on the Re (Ⅰ) complex have been fabricated by spin-coating technique. The turn-on voltage, maximum efficiency, and brightness for green emission obtained from the devices are 9 V, 2.1 cd/A and 165 cd/m², respectively.
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  Synthesis and theoretical study of first generation CCK-functional dendrimers

  Gu He, Li Guo

  中国化学快报. 2007, 18(12): 1505-1508. https://doi.org/10.1016/j.cclet.2007.10.004

  摘要 ( ) 可视化 收藏

  A convenient synthesis and theoretical study of five CCK-functional dendrimers is described. The dendritic cores were linked with the CCK (Trp-Met-Asp (OBn)-PheNH₂) fragment by forming amide bonds to give five target molecules. The structures of CCK-functional dendrimers were characterized by NMR, MS spectrum and predicted using molecular mechanics and PM3 semiempirical molecular orbital theory.
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  Two new epimeric pairs of iridoid from mangrove plant Scyphiphora hydrophyllacea

  Yan Bo Zeng, Wen Li Mei, You Xing Zhao, Ling Zhuang, Kui Hong, Hao Fu Dai

  中国化学快报. 2007, 18(12): 1509-1511. https://doi.org/10.1016/j.cclet.2007.10.017

  摘要 ( ) 可视化 收藏

  Two new epimeric pairs of iridoid scyphiphin A₁ (1a), A₂ (1b) and scyphiphin B₁ (2a), B₂ (2b) were isolated from Scyphiphora hydrophyllacea Gaertn. F. Their structures were elucidated by spectroscopic methods. The mixture of scyphiphin B₁ and scyphiphin B₂ showed moderate cytotoxicity against human hepatoma SMMC-7721 cell line in vitro by MTT method.
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  A new iridoid from Incarvillea delavayi

  Tao Lu, Wei Dong Zhang, Yue Hu Pei, Chuan Zhang, Jin Cheng Li, Yun Heng Shen

  中国化学快报. 2007, 18(12): 1512-1514. https://doi.org/10.1016/j.cclet.2007.10.020

  摘要 ( ) 可视化 收藏

  A new iridoid was isolated from the 80% ethanol extract of the whole plant of Incarvillea delavayi. Its structure was defined, and named incarvillic acid, on the basis of spectral evidences.
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  Lethaclado acid A and B from Lethariella cladonioides

  Xin Huang, Jun Li, Jian Hua Shen, Jun Hua Chen

  中国化学快报. 2007, 18(12): 1515-1517. https://doi.org/10.1016/j.cclet.2007.10.021

  摘要 ( ) 可视化 收藏

  Two new compounds, lethaclado acid A (1) and B (2), were isolated from the acetone extract of Lethariella cladonioides. Their structures were elucidated on the basis of 1D and 2D NMR as well as ESI-MS spectral data.
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  Two new megastigmane O-glucopyranosides from the leaves of Broussonetia papyrifera

  Wei Sheng Feng, Hong Wei Li, Xiao Ke Zheng, Sui Qing Chen

  中国化学快报. 2007, 18(12): 1518-1520. https://doi.org/10.1016/j.cclet.2007.10.028

  摘要 ( ) 可视化 收藏

  Two new megastigmane O-glucopyranosides, named (2R, 3R, 5R, 6S, 9R)-3-hydroxy-5, 6-epoxy-β-ionol-2-O-β-D-glucopyranoside (1) and (2R, 3R, 5R, 6S, 9R)-3-hydroxyl-5, 6-epoxy-acety-β-onol-2-O-β-D-glucopyranoside (2) together with six known megastigmanes, were isolated from the leaves of Broussonetia papyrifera (Linn. ) Vent. Their structures were established by chemical methods and spectroscopic techniques including 2D NMR.
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  Preparation and characterization of AgSt/AgCl composite grains

  Jing Cao, Hai Li Lin, Pei Jie Xia, Zhan Jun He

  中国化学快报. 2007, 18(12): 1521-1524. https://doi.org/10.1016/j.cclet.2007.10.008

  摘要 ( ) 可视化 收藏

  AgSt/AgCl composite grains were prepared by adding chloride ions to a mixed solvent in which silver stearate (AgSt) grains were dispersed under the condition of controlled pH value and characterized by SEM, XRD, UV and DSC. The results showed that AgSt/AgCl composite grains were composed of plate-like AgSt grains with small face-centered cubic AgCl particles formed on the surface of AgSt. UV spectra displayed a red shift of absorption for AgSt/AgCl relative to pure AgSt or AgCl. DSC showed a new thermal phase transition of AgSt/AgCl grains.
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  Solid state synthesis and characterization of iron (Ⅱ) pyrophosphate Fe₂P₂O₇

  Zheng Wei Xiao, Guo Rong Hu, Zhong Dong Peng, Ke Du, Xu Guang Gao

  中国化学快报. 2007, 18(12): 1525-1527. https://doi.org/10.1016/j.cclet.2007.09.033

  摘要 ( ) 可视化 收藏

  Offwhite pure Fe₂P₂O₇ was synthesized through solid phase reaction using Fe₂O₃ and NH₄H₂PO₄ in argon atmosphere. The reaction products of Fe₂O₃ and NH₄H₂PO₄ at a series of temperatures from 400 to 900℃ were characterized by XRD. Comparison and analysis of XRD patterns of resultant products indicated well-crystallized Fe₂P₂O₇ could be obtained over 630℃ and Fe₂P₂O₇ prepared at 700℃ was triclinic in cell type. Comparison of the cell parameters proved that the as-prepared Fe₂P₂O₇ belonged to β-Fe₂P₂O₇ in crystal phase and SEM showed its size distribution was 0.5-2 μm.
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  Metal-free synthesis of amphiphilic functional polycarbonates

  Ying Xia Wang, Jun Feng, Feng He, Ren Xi Zhuo

  中国化学快报. 2007, 18(12): 1528-1530. https://doi.org/10.1016/j.cclet.2007.09.009

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  Amphiphilic block copolymers of poly (5-benzyloxy trimethylene carbonate)(PBTMC) and poly (ethylene glycol)(PEG) were synthesized through enzymatic polymerization using immobilized porcine pancreas lipase (IPPL). The obtained copolymers with different compositions were characterized by GPC and ¹H NMR. The copolymer composition was in agreement with the feed ratio. The molecular weight of the copolymers showed an increasing trend with the decrease of PEG contents. Micelles of the copolymers were formed by dialysis procedure, and characterized by transmission electron microscopy (TEM).
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  Synthesis and characterization of novel low band-gap polymers containing squaraine units

  Er Fu Huo, Jiang Yong Wu, Bao Feng Song, Ying Li, Qing Jiang, Ming Gui Xie

  中国化学快报. 2007, 18(12): 1531-1534. https://doi.org/10.1016/j.cclet.2007.09.037

  摘要 ( ) 可视化 收藏

  Novel conjugated polymers based on squaric acid having 2, 5-Bis[(E)-N-alkylpyrrol-2-ylvinyl]-3-alkylthiophene (PVTVP) unit in the main chain were successfully synthesized in good yields through polycondensation reaction. Their molecular structures were characterized by FT-IR and ¹H NMR. They have good solubility in common organic solvents, good thermal stability by thermal gravimetric analysis and high molecular weights. Their optical properties were investigated by UV-vis absorption spectra in CH₂Cl₂ solution, the results indicated all these compounds showed broad and strong spectral responses from 200 nm to 900 nm, suggesting their potential for application as organic plastic solar cells.
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  Preparation of high selective molecularly imprinted polymers for tetracycline by precipitation polymerization

  Tao Jing, Xiao Dan Gao, Peng Wang, Yan Wang, Yan Fei Lin, Xu Chen zong, Yi Kai Zhou, Su Rong Mei

  中国化学快报. 2007, 18(12): 1535-1538. https://doi.org/10.1016/j.cclet.2007.10.029

  摘要 ( ) 可视化 收藏

  High selective molecularly imprinted polymers (MIPs) for tetracycline have been prepared by precipitation polymerization. Effects of monomer and solvent, the ratio of monomer and template and the characterization of the polymer were investigated by frontal chromatography and selectivity experiment. The results clearly indicated that the polymer, which had the highest molecular recognition abilities for tetracycline antibiotics, had been received.
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  Synthesis,structure and photoluminescent property of a novel potassic compound

  Guang Xiang Liu, Liang Fang Huang, Heng Xu, Xiao Ming Ren

  中国化学快报. 2007, 18(12): 1539-1542. https://doi.org/10.1016/j.cclet.2007.10.026

  摘要 ( ) 可视化 收藏

  A novel 3D coordination compound of K (H₂TDA)(H₂O)(1)(H₃TDA=1H-1, 2, 3-triazole-4, 5-dicarboxylic acid) has been prepared and characterized by IR spectroscopy, elemental analysis, ICP and single-crystal X-ray diffraction. Compound 1 displays strong fluorescent emission at room temperature.
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  Removal of 2,4-dichlorophenol from wasterwater by vacuum membrane distillation using hydrophobic PPESK hollow hiber membrane

  Zhao Jin, Da Ling Yang, Shou Hai Zhang, Xi Gao Jian

  中国化学快报. 2007, 18(12): 1543-1547. https://doi.org/10.1016/j.cclet.2007.10.007

  摘要 ( ) 可视化 收藏

  2, 4-Dichlorophenol was removed from wasterwater using a new hydrophobic poly (phthalazinone ether sulfone ketone)(PPESK) hollow fiber membrane by vacuum membrane distillation (VMD).
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  Influence of gelator structures on formation and stability of supramolecular hydrogels

  Shunji Kono, Yu Jiang Wang, Li Ming Tang

  中国化学快报. 2007, 18(12): 1548-1550. https://doi.org/10.1016/j.cclet.2007.10.025

  摘要 ( ) 可视化 收藏

  A supramolecular hydrogel (defined as G1) formed from 1, 2, 4, 5-benzene tetracarboxylic acid (BTCA) and 2-amino-3-hydroxypyridine possessed higher T_gel than that of another hydrogel (defined as G2) formed from BTCA and 3-hydroxypyridine. Based on the analysis of their xerogels by ¹H NMR, IR and XRD, the higher stability of G1 was attributed to the formation of stronger hydrogen binding enhanced by the ortho amino group of 2-amino-3-hydroxypyridine.
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  The preparation of functionalized single walled carbon nanotubes as high efficiency DNA carriers

  Xiao Ying Yang, Zun Feng Liu, Jie Mao, Shu Jing Wang, Yan Feng Ma, Yong Sheng Chen

  中国化学快报. 2007, 18(12): 1551-1553. https://doi.org/10.1016/j.cclet.2007.10.006

  摘要 ( ) 可视化 收藏

  The positively charged single walled carbon nanotubes (SWNTs⁺) were prepared by conjugating with-CONH-C₆H₁₂-NH₃⁺. The double strand DNA (dsDNA) chains were loaded onto SWNTs⁺ via the electrostatic interactions. SWNTs⁺ shows improved loading efficiency (353.5 μg/mg) toward dsDNA compared with that of charged free single walled carbon nanotubes (SWNTs)(82.9 μg/mg).
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  An investigation of crambin and BPTI based on ABEEM/MM model

  Qing Mei Guan, Dong Xia Zhao, Zhong Zhi Yang

  中国化学快报. 2007, 18(12): 1554-1556. https://doi.org/10.1016/j.cclet.2007.07.029

  摘要 ( ) 可视化 收藏

  Molecular dynamics simulation studies on crambin, BPTI (298 K, in vacuo) have been performed by ABEEM/MM method. Some structural properties were discussed. The results show fair consistency with those from X-ray experiment. Moreover, ABEEM/MM model can properly describe the interactions of hydrogen bond of protein systems.