2007 Volume 18 Issue 12

Knoevenagel condensation of α,β-unsaturated aromatic aldehydes with barbituric acid under non-catalytic and solvent-free conditions
Cherkupally Sanjeeva Reddy , Adki Nagaraj
2007, 18(12): 1431-1435  doi: 10.1016/j.cclet.2007.10.016
[Abstract](538) [FullText HTML] [PDF 270KB](3)
Abstract:
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).
One pot synthesis of bis-silicon-bridged stilbene derivatives
Chen Hui Li , Hua Yu Qiu , Cai Hong Xu
2007, 18(12): 1436-1438  doi: 10.1016/j.cclet.2007.09.039
[Abstract](521) [FullText HTML] [PDF 221KB](1)
Abstract:
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.
Synthesis of novel disulfide-bridged dilactam crown ethers
Hossein Eshghi , Seyed Mohammad Seyedi , Reza Sandarooss
2007, 18(12): 1439-1442  doi: 10.1016/j.cclet.2007.10.027
[Abstract](522) [FullText HTML] [PDF 245KB](0)
Abstract:
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.
Oxidative aromatization of Hantzsch 1,4-dihydropyridines by aqueous hydrogen peroxide-acetic acid
Zong Yuan Chen , Wei Zhang
2007, 18(12): 1443-1446  doi: 10.1016/j.cclet.2007.10.010
[Abstract](566) [FullText HTML] [PDF 238KB](5)
Abstract:
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.
Iodine catalyzed efficient synthesis of symmetrical diaryl sulfoxides from arenes and thionyl chloride under solvent-free conditions
Hong She Wang , Jun E. Zeng
2007, 18(12): 1447-1450  doi: 10.1016/j.cclet.2007.10.024
[Abstract](564) [FullText HTML] [PDF 227KB](1)
Abstract:
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.
A green and efficient deoximation using H2O2 catalyzed by montmorillonite-K10 supported COCl2
Ali Ezabadi , Gholam Reza Najafi , Mohammed M. Hashemi
2007, 18(12): 1451-1454  doi: 10.1016/j.cclet.2007.09.003
[Abstract](531) [FullText HTML] [PDF 233KB](2)
Abstract:
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.
Morphological characterization of metal porphyrin tailed with aspirin interacting with bovine serum albumin congeries
Kai Wang , Lei Wu , Xiu Lan Zhang , Zao Ying Li
2007, 18(12): 1455-1459  doi: 10.1016/j.cclet.2007.09.013
[Abstract](533) [FullText HTML] [PDF 1652KB](0)
Abstract:
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.
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
2007, 18(12): 1460-1462  doi: 10.1016/j.cclet.2007.10.001
[Abstract](536) [FullText HTML] [PDF 233KB](1)
Abstract:
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.
Direct reduction of some benzoic acids to alcohols via NaBH4-Br2
Shi Jie Zhang , Wei Xiao Hu , Hua Qi Chen
2007, 18(12): 1463-1465  doi: 10.1016/j.cclet.2007.10.018
[Abstract](520) [FullText HTML] [PDF 221KB](3)
Abstract:
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.
Microwave activated synthesis of 2-aryl-quinazolin-4(3H) ones
M. Bakavoli , O. Sabzevari , M. Rahimizadeh
2007, 18(12): 1466-1468  doi: 10.1016/j.cclet.2007.10.023
[Abstract](538) [FullText HTML] [PDF 216KB](2)
Abstract:
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.
Ultrasonicwave-assisted tandem-reaction for synthesis of symmetrical vicinal diamines
Gen Rong Qiang , Xiang Mei Wu , Qin Wang , Wen Pei
2007, 18(12): 1469-1470  doi: 10.1016/j.cclet.2007.10.019
[Abstract](524) [FullText HTML] [PDF 175KB](1)
Abstract:
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.
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
2007, 18(12): 1471-1475  doi: 10.1016/j.cclet.2007.10.009
[Abstract](542) [FullText HTML] [PDF 274KB](1)
Abstract:
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.
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
2007, 18(12): 1476-1478  doi: 10.1016/j.cclet.2007.10.022
[Abstract](525) [FullText HTML] [PDF 291KB](1)
Abstract:
α-Chlorocycloalkanones () were synthesized from cycloalkanones via potassium α-oxocycloalkylsulfonates (). A two-step mechanism was proposed to explain the formation of from .
Synthesis of 6,8-dichloroquinolones utilizing new method and evaluation of their antibacterial activities
Yun Xu Yang , Hui Yuan Guo
2007, 18(12): 1479-1482  doi: 10.1016/j.cclet.2007.10.012
[Abstract](494) [FullText HTML] [PDF 359KB](1)
Abstract:
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.
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
2007, 18(12): 1483-1486  doi: 10.1016/j.cclet.2007.10.013
[Abstract](535) [FullText HTML] [PDF 247KB](3)
Abstract:
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.
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
2007, 18(12): 1487-1489  doi: 10.1016/j.cclet.2007.10.014
[Abstract](492) [FullText HTML] [PDF 265KB](1)
Abstract:
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.
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
2007, 18(12): 1490-1492  doi: 10.1016/j.cclet.2007.10.030
[Abstract](515) [FullText HTML] [PDF 299KB](1)
Abstract:
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.
Synthesis and structure characterization of a novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes
Zhi Qiang Shi , Ya Qing Feng , Bing Zhao , Wen Xiang Wang
2007, 18(12): 1493-1495  doi: 10.1016/j.cclet.2007.10.015
[Abstract](509) [FullText HTML] [PDF 242KB](0)
Abstract:
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.
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
2007, 18(12): 1496-1500  doi: 10.1016/j.cclet.2007.10.005
[Abstract](528) [FullText HTML] [PDF 312KB](0)
Abstract:
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 (Mw) 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).
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
2007, 18(12): 1501-1504  doi: 10.1016/j.cclet.2007.10.003
[Abstract](542) [FullText HTML] [PDF 300KB](2)
Abstract:
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.
Synthesis and theoretical study of first generation CCK-functional dendrimers
Gu He , Li Guo
2007, 18(12): 1505-1508  doi: 10.1016/j.cclet.2007.10.004
[Abstract](518) [FullText HTML] [PDF 237KB](0)
Abstract:
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.
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
2007, 18(12): 1509-1511  doi: 10.1016/j.cclet.2007.10.017
[Abstract](503) [FullText HTML] [PDF 238KB](0)
Abstract:
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.
A new iridoid from Incarvillea delavayi
Tao Lu , Wei Dong Zhang , Yue Hu Pei , Chuan Zhang , Jin Cheng Li , Yun Heng Shen
2007, 18(12): 1512-1514  doi: 10.1016/j.cclet.2007.10.020
[Abstract](531) [FullText HTML] [PDF 203KB](0)
Abstract:
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.
Lethaclado acid A and B from Lethariella cladonioides
Xin Huang , Jun Li , Jian Hua Shen , Jun Hua Chen
2007, 18(12): 1515-1517  doi: 10.1016/j.cclet.2007.10.021
[Abstract](581) [FullText HTML] [PDF 235KB](1)
Abstract:
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.
Two new megastigmane O-glucopyranosides from the leaves of Broussonetia papyrifera
Wei Sheng Feng , Hong Wei Li , Xiao Ke Zheng , Sui Qing Chen
2007, 18(12): 1518-1520  doi: 10.1016/j.cclet.2007.10.028
[Abstract](514) [FullText HTML] [PDF 280KB](0)
Abstract:
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.
Preparation and characterization of AgSt/AgCl composite grains
Jing Cao , Hai Li Lin , Pei Jie Xia , Zhan Jun He
2007, 18(12): 1521-1524  doi: 10.1016/j.cclet.2007.10.008
[Abstract](537) [FullText HTML] [PDF 1853KB](0)
Abstract:
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.
Solid state synthesis and characterization of iron (Ⅱ) pyrophosphate Fe2P2O7
Zheng Wei Xiao , Guo Rong Hu , Zhong Dong Peng , Ke Du , Xu Guang Gao
2007, 18(12): 1525-1527  doi: 10.1016/j.cclet.2007.09.033
[Abstract](519) [FullText HTML] [PDF 1035KB](0)
Abstract:
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.
Metal-free synthesis of amphiphilic functional polycarbonates
Ying Xia Wang , Jun Feng , Feng He , Ren Xi Zhuo
2007, 18(12): 1528-1530  doi: 10.1016/j.cclet.2007.09.009
[Abstract](486) [FullText HTML] [PDF 334KB](0)
Abstract:
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).
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
2007, 18(12): 1531-1534  doi: 10.1016/j.cclet.2007.09.037
[Abstract](496) [FullText HTML] [PDF 322KB](0)
Abstract:
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.
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
2007, 18(12): 1535-1538  doi: 10.1016/j.cclet.2007.10.029
[Abstract](530) [FullText HTML] [PDF 950KB](0)
Abstract:
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.
Synthesis,structure and photoluminescent property of a novel potassic compound
Guang Xiang Liu , Liang Fang Huang , Heng Xu , Xiao Ming Ren
2007, 18(12): 1539-1542  doi: 10.1016/j.cclet.2007.10.026
[Abstract](522) [FullText HTML] [PDF 858KB](2)
Abstract:
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.
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
2007, 18(12): 1543-1547  doi: 10.1016/j.cclet.2007.10.007
[Abstract](515) [FullText HTML] [PDF 504KB](0)
Abstract:
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).
Influence of gelator structures on formation and stability of supramolecular hydrogels
Shunji Kono , Yu Jiang Wang , Li Ming Tang
2007, 18(12): 1548-1550  doi: 10.1016/j.cclet.2007.10.025
[Abstract](495) [FullText HTML] [PDF 322KB](0)
Abstract:
A supramolecular hydrogel (defined as G1) formed from 1, 2, 4, 5-benzene tetracarboxylic acid (BTCA) and 2-amino-3-hydroxypyridine possessed higher Tgel 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.
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
2007, 18(12): 1551-1553  doi: 10.1016/j.cclet.2007.10.006
[Abstract](478) [FullText HTML] [PDF 322KB](0)
Abstract:
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).
An investigation of crambin and BPTI based on ABEEM/MM model
Qing Mei Guan , Dong Xia Zhao , Zhong Zhi Yang
2007, 18(12): 1554-1556  doi: 10.1016/j.cclet.2007.07.029
[Abstract](540) [FullText HTML] [PDF 164KB](0)
Abstract:
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.
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