• Title/Summary/Keyword: Chemical structure analysis

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A Novel Approach to Cloning and Expression of Human Thymidylate Synthase

  • Lv, Ying-Tao;Du, Pei-Juan;Wang, Qiao-Yan;Tan, Yuan;Sun, Zong-Bin;Su, Zhong-Liang;Kang, Cong-Min
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.12
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    • pp.7523-7527
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    • 2013
  • Thymidylate synthase (TS) catalyzes the transfer of a methyl group from methylenetetrahydrofolate to dUMP to form dTMP. It is a primary target in the chemotherapy of colorectal cancers and some other neoplasms. In order to obtain pure protein for analysis of structure and biological function, an expression vector TS-pET28b (+) was constructed by inserting wild-type human thymidylate synthase (hTS) cDNA into pET28b (+). Then an expression strain was selected after transformation of the recombined plasmid into Rosetta (DE3). Fusion protein with His-tag was efficiently expressed in the form of inclusion bodies after IPTG induction and the content was approximately 40.0% of total bacteria proteins after optimizing expression conditions. When inclusion bodies were washed, dissolved and purified by Ni-NTA under denatured conditions, the purity was up to 90%. On SDS-PAGE and West-blotting, the protein band was found to match well with the predicted relative molecular mass-36kDa. Bioactivity was 0.1 U/mg. The results indicated that high-level expression of wild-type hTS cDNA can be achieved in prokaryotes with our novel method, facilitating research into related chemotherapy.

Discovery of a Novel 2,6-Difunctionalized 2H-Benzopyran Inhibitors Toward Sphingosylphosphorylcholine Synthetic Pathway as New Anti-inflammatory Target

  • Lee, Gee-Hyung;Lee, Seong Jin;Jeong, Dae Young;Kim, Ha-Young;Lee, Doohyun;Lee, Taeho;Hwang, Jong-Yeon;Park, Woo Kyu;Kong, Jae-Yang;Cho, Heeyeong;Gong, Young-Dae
    • Bulletin of the Korean Chemical Society
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    • v.35 no.8
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    • pp.2385-2390
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    • 2014
  • Novel 2,6-difuctionalized 2H-benzopyrans were synthesized and evaluated for a sphingosylphosphorylcholine(SPC) inhibitor. The synthetic 2H-benzopyrans 1c and 3a showed high potency in SPC-induced cell proliferation assay ($IC_{50}$ < 20 nM). Neither hERG $K^+$ channel binding (> $10{\mu}M$) nor CYP inhibitions (> $10{\mu}M$) were observed. Also, the simple structure-activity relationship (SAR) results were obtained from analysis of 2H-benzopyran derivatives 1-3 and the anti-SPC effect of 2H-benzopyran 1c was confirmed by a HUVEC tube formation assay.

Catalytic Performance of V-KIT-6 for the Oxidation of Styrene (스티렌 산화반응에 대한 V-KIT-6의 촉매특성 고찰)

  • Kim, Sang-Yun;Jermy, Balasamy R.;Bineesh, Kanattukara V.;Lim, Dong-Ok;Kim, Kyung-Hoon;Park, Dae-Won
    • Korean Chemical Engineering Research
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    • v.47 no.3
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    • pp.275-280
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    • 2009
  • The direct incorporation of vanadium into the three-dimensional(3-D) cubic Ia3d mesostructure designated as V-KIT-6 was carried out hydrothermally using a Pluronic P123 and n-butanol as the structure-directing mixture, tetraethylorthosilicate(TEOS) as the silica source and $NH_4VO_3$ as the vanadium source. The obtained V-KIT-6 showed a very high specific surface area ${\sim}1,000m^2/g$ with tunable pore diameters in narrow distribution of sizes ~6.0 nm. The coordination and nature of V sites in V-KIT-6 are characterized by $^{51}V$-spin-echo NMR analysis. The calcined V-KIT-6 materials showed excellent catalytic activity in the direct oxidation of styrene using tert-butyl hydroperoxide(TBHP) as an oxidant.

Chemical Composition and Antimicrobial Efficacy of Helminthostachys zeylanica against Foodborne Bacillus cereus

  • Yenn, Tong Woei;Ring, Leong Chean;Zahan, Khairul Azly;Rahman, Muhammad Sharir Abdul;Tan, Wen-Nee;Alaudin, Bintul Jauza' Shaik
    • Natural Product Sciences
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    • v.24 no.1
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    • pp.66-70
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    • 2018
  • Helminthostachys zeylanica is a rare plant grows in lightly shaded areas. The fern was traditionally used as antipyretic and antiphlogistic agents. This study was aimed to evaluate the antibacterial potential of H. zeylanica on foodborne Bacillus cereus. The chemical composition of its ethanolic extract was also determined. The plant samples were collected at Kampung Kebun Relong, Kedah, Malaysia. The ethanolic extract showed significant inhibitory activity on B. cereus with a sizeable clear zone detected on disc diffusion assay. On broth microdilution assay, the MIC of the extract on B. cereus was 6.25 mg/ml and the MBC was 12.5 mg/ml. The inhibitory activity of the extract on B. cereus was bactericidal. In the growth dynamic study, the antibacterial efficacy of the extract was concentration dependent, where a lower colony forming unit count was obtained with increased extract concentration. The SEM micrograph of extract treated B. cereus cells showed invaginations of cell wall. The bacterial cell structure collapsed after 24 h exposure to the extract. The GCMS analysis of the extract showed that the major constituents of the extract were phenol (36.26%) and quercetin (29.70%). This study is important as it shows the potential use of H. zeylanica as an effective agent to control B. cereus related infections.

Synthesis and Biological Evaluation of Novel Isopropyl 2-thiazolopyrimidine-6-carboxylate Derivatives

  • Kotaiah, Y.;Krishna, N. Hari;Raju, K. Naga;Rao, C.V.;Jonnalagadda, S.B.;Maddila, Suresh
    • Journal of the Korean Chemical Society
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    • v.56 no.1
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    • pp.68-73
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    • 2012
  • In the present study, we have synthesized novel Isopropyl 2-(4-substitutedbenzylidene)-5-methyl-3-oxo-7-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]-pyrimidine-6-carboxylate derivatives (6a-j). Elemental analysis, IR, $^1H$ NMR and mass spectral data elucidated structure of newly synthesized compounds. The newly synthesized compounds were screened for antiinflammatory and anti microbial studies. Their biological activity data of the 10 compounds indicates that two compounds posses potent anti-inflammatory and five have antimicrobial activities.

Correlation between surface functionalities of nano-structured photo electrode and electrochemical response of dye sensitized solar cells

  • Dhayal, Marshal;Park, Gye-Choon;Park, Kyung-Hee;Gu, Hal-Bon
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.06a
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    • pp.57.1-57.1
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    • 2010
  • Development of low cost hybrid functional nano-structured materials has great interest to enhance sensitivity of dye-sensitized solar cells and reduction of the production cost. In this talk we will discuss about using different processes to modify functional characteristics of photoelectrode and investigate effects of chemical modification without significant structural variation on to enhance performance of DSSCs. Efficient electron transportation between dye molecules and photoelectrode has been obtained by appropriate chemical modification and efficiency of DSSC has been significantly improved. A comparative analysis on effects of surface functional and electron states of photoelectrode on VOC and JSC has been also carried out to discuss effects of composite materials on physical structure and electronic properties to correlate enhanced performance of these devices.

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Impedance Spectroscopy Analysis of Hydration in Ordinary Portland Cements Involving Chemical Mechanical Planarization Slurry

  • Hwang, Jin-Ha
    • Journal of the Korean Ceramic Society
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    • v.49 no.3
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    • pp.260-265
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    • 2012
  • Impedance spectroscopy was used to monitor the hydration in the electrical/dielectric behaviors of chemical mechanical planarization (CMP)-blended cement mixtures. The electrical responses were analyzed using their equivalent circuit models, leading to the separation of the bulk and electrode based responses. The role of the CMP slurry was monitored as a function of the relative compositions of the CMP-blended cements, i.e. water, CMP slurry, and ordinary Portland cement. The presence of $Al_2O_3$ nanocrystals in the CMP slurries appeared to accelerate the hydration process, along with a more tortuous microstructure in the hydration, with enhanced hydration products. The frequency-dependent impedance spectroscopy was proven to be a highly efficient approach for evaluating the electrical/dielectric monitoring of the change in the pore structure evolution that occurs in CMP-blended cements.

Synthesis of Dendrimers from Alkyne-focal Dendrons by Oxidative Homo-coupling of Terminal Acetylene

  • Han, Seung-Choul;Kim, Jong-Sik;Lee, Jae-Wook
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.3899-3903
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    • 2011
  • General, fast, and efficient fusion methods for the synthesis of dendrimers with 1,3-diynes at a core were developed. The synthetic strategy was employed the oxidative homo-coupling of terminal alkyne. The oxidative homo-coupling reaction of the alkyne-functionalized Frechet-type dendrons 1-Dm was allowed to provide first through fourth generation dendrimers 2-Gm with 1,3-diynes at core. The fusion of the propargylfunctionalized PAMAM dendrons 3-Dm by homo-coupling of terminal alkyne lead to the formation of symmetric PAMAM dendrimers 4-Gm. Their structure of dendrimers was confirmed by $^1H$ and $^{13}C$ NMR spectroscopy, IR spectroscopy, mass spectrometry, and GPC analysis.

Convergent Synthesis and Characterization of Dumbbell Type Dendritic Materials by Click Chemistry

  • Sung, Sae-Reum;Han, Seung-Choul;Jin, Sung-Ho;Lee, Jae-Wook
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.3933-3940
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    • 2011
  • General, fast, and efficient stitching methods for the synthesis of dendrimers with linear PEG units at a core, as dendritic-linear-dendritic materials, were developed. The synthetic strategy involved the click reaction between an alkyne and an azide. The linear core building blocks, three dialkyne-PEG units, were chosen to serve as the alkyne functionalities for dendrimer growth via click reactions with the azide-dendrons. These three building blocks were employed together with the azide-functionalized Fr$\acute{e}$chet-type dendrons in a convergent strategy to synthesize the Fr$\acute{e}$chet-type dendrimers with different linear core units. Their structure of dendrimers was confirmed by $^1H$ and $^{13}C$ NMR spectroscopy, IR spectroscopy, mass spectrometry, and GPC analysis.

QSPR Study of the Absorption Maxima of Azobenzene Dyes

  • Xu, Jie;Wang, Lei;Liu, Li;Bai, Zikui;Wang, Luoxin
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.3865-3872
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    • 2011
  • A quantitative structure-property relationship (QSPR) study was performed for the prediction of the absorption maxima of azobenzene dyes. The entire set of 191 azobenzenes was divided into a training set of 150 azobenzenes and a test set of 41 azobenzenes according to Kennard and Stones algorithm. A seven-descriptor model, with squared correlation coefficient ($R^2$) of 0.8755 and standard error of estimation (s) of 14.476, was developed by applying stepwise multiple linear regression (MLR) analysis on the training set. The reliability of the proposed model was further illustrated using various evaluation techniques: leave-many-out crossvalidation procedure, randomization tests, and validation through the test set.