• 제목/요약/키워드: Novel chemical structure

검색결과 379건 처리시간 0.031초

Modeling Aided Lead Design of FAK Inhibitors

  • Madhavan, Thirumurthy
    • 통합자연과학논문집
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    • 제4권4호
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    • pp.266-272
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    • 2011
  • Focal adhesion kinase (FAK) is a potential target for the treatment of primary cancers as well as prevention of tumor metastasis. To understand the structural and chemical features of FAK inhibitors, we report comparative molecular field analysis (CoMFA) for the series of 7H-pyrrolo(2,3-d)pyrimidines. The CoMFA models showed good correlation between the actual and predicted values for training set molecules. Our results indicated the ligand-based alignment has produced better statistical results for CoMFA ($q^2$ = 0.505, $r^2$ = 0.950). Both models were validated using test set compounds, and gave good predictive values of 0.537. The statistical parameters from the generated 3D-QSAR models were indicated that the data are well fitted and have high predictive ability. The contour map from 3D-QSAR models explains nicely the structure-activity relationships of FAK inhibitors and our results would give proper guidelines to further enhance the activity of novel inhibitors.

Antimicrobial Activity of Licochalcone E Against Staphylococcus aureus and Its Impact on the Production of Staphylococcal Alpha-Toxin

  • Zhou, Tiezhong;Deng, Xuming;Qiu, Jiazhang
    • Journal of Microbiology and Biotechnology
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    • 제22권6호
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    • pp.800-805
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    • 2012
  • Licochalcone E was firstly isolated from licorice root in 2005, which belongs to the retrochalcone family. Studies on the biological activities of licochalcone E were in the initial stage. In the study, we demonstrated that licochalcone E has potent antimicrobial property against Staphylococcus aureus. Furthermore, via hemolysis, Western blot, and real-time RT-PCR assays, we have shown that subinhibitory concentrations of licochalcone E dose-dependently reduces the production of ${\alpha}$-toxin in both methicillin-sensitive S. aureus (MSSA) and methicillin-resistant S. aureus (MRSA). The data suggest that licochalcone E may deserve further investigation as a potential therapeutic against S. aureus infections, or the structure of licochalcone E may be used as a basis for chemical synthesis of novel anti-S. aureus compounds.

LSMCD 장비를 이용 Boron 도핑 ZnO 박막제조 및 특성평가 (New Transparent Conducting B-doped ZnO Films by Liquid Source Misted Chemical Deposition Method)

  • 김길호;우성일;방정식
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2008년도 하계학술대회 논문집 Vol.9
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    • pp.307-308
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    • 2008
  • Zinc oxide is a direct band gap wurtzite-type semiconductor with band gap energy of 3.37eV at room temperature. the n-type doped ZnO oxides, B doped ZnO (BZO) is widely studied in TCOs materials as it shows good electrical, optical, and luminescent properties. we focused on the fabrication of B doped ZnO films with glass substrate using the LSMCD at low temperature. And Novel boron-doped ZnO thin films were deposited and characterized from the structural, optical, electrical point of view. The structure, morphology, and optical properties of the films were studied as a function of by employing the XRD, SEM, Hall system and micro Raman system.

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식물성 오일 기반 바이오 탄성체의 합성과 특성 (Synthesis and Characterization of Bio-Elastomer Based on Vegetable Oils)

  • 이혁;곽경환;김진국
    • Elastomers and Composites
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    • 제47권1호
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    • pp.30-35
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    • 2012
  • 새로운 스타폴리머인 바이오폴리부타디엔은 리빙 음이온중합이라는 고분자의 정밀 합성법을 통하여 분자량, 분자량분포, 조성 및 세부구조를 제어하였다. 리빙 음이온중합에 의해 n-BuLi으로 개시된 polybutadienyllithium(PBDLi)의 연쇄말단이 ESO(Epoxidized Soybean Oil)의 기능성 그룹과 커플링 반응을 일으키며 스타폴리머를 합성한다. 분자량이 1,000/5,000/10,000(g/mol)인 PBDLi을 중합하여 THF존재하에서 반응 후 GPC에 의한 분자량 및 arms분석과 $^1H$-NMR, FT-IR에 의한 고분자 구조 분석을 통하여 바이오폴리부타디엔의 합성을 확인하였다.

Evaluation anisotropy in stochastic texture images using wavelet transforms for characterizing printing, coating and paper structure

  • 성용주
    • 한국펄프종이공학회:학술대회논문집
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    • 한국펄프종이공학회 2005년도 추계학술발표논문집
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    • pp.45-53
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    • 2005
  • A novel method for evaluating the anisotropy of the deterministic features in a stochastic 2D data is introduced. The ability of the wavelet transform for the identification of the abrupt discontinuities could be used to characterize the boundary of the deterministic area in a 2D stochastic data, such as flocs in paper structure. The one-dimensional wavelet transform with a small-scale range in MD and CD could quantify the amount of the edge in both directions, depending on the intensity of each floc. The flocs that are aligned in the MD direction result in a higher value of local wavelet energy in the CD direction. Therefore, the ratio of the total wavelet energy in CD and MD directions can be used as a new anisotropy index. This index is a measure of the floc-orientation and can provide an excellent tool to obtain the orientation distribution and the major oriented angle of flocs. Various simulated images and real stochastic data such as local gloss variation of printed image and formation image, have been tested and the results show this analysis method is very reliable to measure the anisotropy of the deterministic features.

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Patterned Surfaces in Self-Organized Block Copolymer Films with Hexagonally Ordered Microporous Structures

  • Hayakawa Teruaki;Kouketsu Takayuki;Kakimoto Masa-alki;Yokoyama Hideaki;Horiuchi Shin
    • Macromolecular Research
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    • 제14권1호
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    • pp.52-58
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    • 2006
  • A novel fabrication of the patterned surfaces in the polymer films was demonstrated by using the self-organizing character of the block copolymers of polystyrene-b-oligothiophenes and polystyrene-b-aromatic amide dendron. Hexagonally arranged open pores with a micrometer-size were spontaneously formed by casting the polymer solutions under a moist air flow. The amphiphilic character of the block copolymers played the crucial role as a surfactant to stabilize the inverse emulsion of water in the organic solvent, and subsequently the aggregated structure of the hydrophilic oligothiophene or aromatic amide dendron segments remained on the interiors of the micropores. The chemical composition on the top of the surface of the microporous films was characterized by energy-filtering transmission electron microscopy (EFTEM) or a time-of-flight secondary ion mass spectrometer (ToF-SIMS). The characterizations clearly indicated that the patterned surfaces in the self-organized block copolymer films with the hexagonally ordered microporous structures were fabricated in a single step.

Synthesis and Properties of Diarylamino-Substituted Linear and Dendritic Oligoquinolines for Organic Light-Emitting Diodes

  • Lee, Ho-Joon;Xin, Hao;Park, Seong-Min;Park, Seog-Il;Ahn, Taek;Park, Dong-Kyu;Jenekhe, Samson A.;Kwon, Tae-Woo
    • Bulletin of the Korean Chemical Society
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    • 제33권5호
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    • pp.1627-1637
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    • 2012
  • The coupling reaction between 5-bromo-3-phenylbenzo[c]isoxazole and diphenylamine followed by further condensation with a mono-, di- or ter-acetyl aromatic compound in the presence of diphenyl phosphate at $145^{\circ}C$ gave a novel asymmetric diarylquinolines, oligoquinolines with diphenylamine endgroups, and a first generation quinoline dendrimer in 41-82% isolated yield. The electrochemical and photophysical properties of the oligoquinolines were characterized by cyclic voltammograms (CVs) and spectroscopy. All the quinolines emit bright sky blue light due to charge transfer from quinoline group to diphenly amine with very high quantum efficiency (> 90%). Organic light-emitting diodes (OLEDs) were fabricated using these quinolines as emitting materials. Among different device architectures explored, OLEDs with a structure of ITO/PEDOT (40 nm)/TAPC (15 nm)/D-A quinoline (40 nm)/TPBI (30 nm)/LiF (1 nm)/Al using TAPC as an electron blocking layer and TPBI as a hole blocking layer gave the best performance. A high external quantum efficiency in the range of 1.2-2.3% were achieved in all the quinolines with the best performance in BBQA(5). Our results indicate diarylamino-substituted oligoquinoline and dendrimer are promising materials for OLEDs applications.

표면 촉매 화학 반응을 이용한 크기 조절이 가능한 홀 어레이 제작 (Fabrication of Size-Controlled Hole Array by Surface-Catalyzed Chemical Deposition)

  • 박형주;박정원;이대식;표현봉
    • 센서학회지
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    • 제27권1호
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    • pp.55-58
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    • 2018
  • Low-cost and large-scale fabrication method of nanohole array, which comprises nanoscale voids separated by a few tens to a few hundreds of nanometers, has opened up new possibilities in biomolecular sensing as well as novel frontier optical devices. One of the key aspects of the nanohole array research is how to control the hole size following each specific needs of the hole structure. Here, we report the extensive study on the fine control of the hole size within the range of 500-2500 nm via surface-catalyzed chemical deposition. The initial hole structures were prepared via conventional photo-lithography, and the hole size was decreased to a designed value through the surface-catalyzed chemical reduction of the gold ion on the predefined hole surfaces, by simple dipping of the hole array device into the aqueous solution of gold chloride and hydroxylamine. The final hole size was controlled by adjusting reaction time, and the optimal experimental condition was obtained by doing a series of characterization experiments. The characterization of size-controlled hole array was systematically examined on the image results of optical microscopy, field emission scanning electron microscopy(FESEM), atomic-force microscopy(AFM), and total internal reflection microscopy.

New Polytriazoleimides with High Thermal and Chemical Stabilities

  • E, Yanpeng;Wan, Liqiang;Li, Yujing;Huang, Farong;Du, Lei
    • Bulletin of the Korean Chemical Society
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    • 제33권7호
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    • pp.2193-2199
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    • 2012
  • A series of novel polytriazoleimides were prepared from various aromatic dianhydrides and a new kind of 1,2,3-triazole-containing aromatic diamine synthesized by the Cu (I)-catalyzed 1,3-dipolar cycloaddition reaction in DMAc, and characterized by FT-IR, $^1H$-NMR, XRD, DSC and TGA techniques. The results show the polytriazoleimides are soluble in most of strong polar solvents and have inherent viscosity values of 0.51-0.62 dL/g(DMAc). The polytriazoleimide films exhibit a tensile strength of 62.3-104.5 MPa and an elongation at breakage of 4.0-8.1%, a glass transition temperature ($T_g$) of $257-275^{\circ}C$, a decomposition temperature (at 5% weight loss) of $350-401^{\circ}C$ in $N_2$ atmosphere, and a dielectric constant of 2.47-3.01 at 10 MHz, which depend on the structure of the polymers. The polytriazoleimides perform good resistance to acid and alkali solution.

Atomic Layer Deposition의 두께 변화에 따른 NCM 양극에서의 고전압 리튬 이온 전지의 전기화학적 특성 평가 (Electrochemical Performance of High-Voltage Lithium-Ion Batteries with NCM Cathode Varying the Thickness of Coating Layer by Atomic Layer Deposition)

  • 임진솔;안진혁;김정민;성시준;조국영
    • 전기화학회지
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    • 제22권2호
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    • pp.60-68
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    • 2019
  • 이차 전지의 고전압 구동은 기존 셀 구조의 변화 없이도 고용량을 구현할 수 있는 유용한 접근 방법 중에 하나이나, 전극 표면에서의 극심한 부반응과 전극 활물질의 구조 붕괴 등과 같은 문제를 야기하게 된다. 본 연구에서는 니켈-망간-코발트 삼성분계(NCM) 활물질을 도입한 양극의 고전압 구동을 위해 원자층 증착법 (Atomic Layer Deposition, ALD)을 통해 전극판 표면에 $Al_2O_3$와 ZnO층으로 구성된 코팅 층을 형성하였다. 기존 ALD법으로 제조되는 박막에 비해 유사한 조건에서도 두꺼운 Al-doped ZnO (AZO)층을 최초로 형성하였고, 코팅된 AZO층의 두께를 달리한 NCM 기반의 양극판을 제조하였다. ALD 코팅된 양극이 도입된 코인셀을 제조하여 두껍게 형성된 코팅 층의 두께에 따른 고전압에서 충방전 거동을 확인하였다.