• Title/Summary/Keyword: Novel chemical structure

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Discovery of Novel and Potent Cdc25 Phosphatase Inhibitors Based on the Structure-Based De Novo Design

  • Park, Hwang-Seo;Jung, Suk-Kyeong;Bahn, Young-Jae;Jeong, Dae-Gwin;Ryu, Seong-Eon;Kim, Seung-Jun
    • Bulletin of the Korean Chemical Society
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    • v.30 no.6
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    • pp.1313-1316
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    • 2009
  • Cdc25 phosphatases have been considered as attractive drug targets for anticancer therapy due to the correlation of their overexpression with a wide variety of cancers. We have been able to identify five novel Cdc25 phosphatase inhibitors with micromolar activity by means of a structure-based de novo design method with a known inhibitor scaffold. Because the newly discovered inhibitors are structurally diverse and have desirable physicochemical properties as a drug candidate, they deserve further investigation as anticancer drugs. The differences in binding modes of the identified inhibitors in the active sites of Cdc25A and B are addressed in detail.

Deep Blue Fluorescent Host Materials Based on a Novel Spiro[benzo[c]fluorene-7,9'-fluorene] Core Structure with Side Aromatic Wings

  • Lee, In-Ho;Seo, Jeong-A;Gong, Myoung-Seon
    • Bulletin of the Korean Chemical Society
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    • v.33 no.7
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    • pp.2287-2294
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    • 2012
  • Deep blue fluorescent host materials based on a novel spiro[benzo[c]fluorene-7,9'-fluorene] core structure with side aromatic wings in the 5- and 9-positions, namely, 5,9-di(naphthalen-2-yl)spiro[benzo[c]fluorene-7,9'-fluorene] (DN-SBFF), 5,9-bis(4-t-butylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] (BP-SBFF), and 5,9-bis(4-fluorophenyl)spiro[benzo[c]fluorene-7,9'-fluorene] (FP-SBFF), were designed and successfully prepared using the Suzuki reaction. The physical properties of these materials and their EL characteristics as blue host materials doped with N,N,N',N'-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine (TPA-SBFF) were investigated. The device used comprised ITO/N,N'-diphenyl-N,N'-bis[4-(phenyl-m-tolyl-amino)phenyl]-biphenyl-4,4'-diamine (DNTPD)/N,N'-di(1-naphthyl)-N,N'-diphenylbenzidine (NPB)/(FP-SBFF):dopant x%/tris(8-hydroxyquinoline)aluminum ($Alq_3$)/LiF. The device obtained using FP-SBFF doped with TPA-SBFF showed high color purity (0.13, 0.18) and an efficiency of 6.61 cd/A at 7 V.

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.

La2/3Ca1/3MnO3 Nanoparticles with Novel Magnetoresistance Property

  • Zhang, Jianwu;Jang, Eue-Soon;Chung, Il-Won;Choy, Jin-Ho
    • Bulletin of the Korean Chemical Society
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    • v.25 no.2
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    • pp.182-184
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    • 2004
  • Fine $La_{2/3}Ca_{1/3}MnO_3$ nanocrystalline powders have been successfully prepared by modified citrate pyrolysis process. The obtained LCMO nanoscale grains have a mean particle size of about 30 nm under optimal treatment conditions. The particle size can be controlled by adjusting processing parameters, such as treatment temperature and calcination time. X-ray diffraction, SEM and magnetoresistance effect were employed to study the crystal structure, morphology and magnetic property of these nanosized powders. A novel MR effect (MR > 45% (0 K < T < 340 K)) at room temperature has been found.

Preparation and Nonlinear Optical Properties of Novel Polyesters with Enhanced Thermal Stability of Second Harmonic Generation

  • Kim, Jin-Hyang;Won, Dong-Seon;Lee, Ju-Yeon
    • Bulletin of the Korean Chemical Society
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    • v.29 no.1
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    • pp.181-186
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    • 2008
  • 2,5-Di-(2'-hydroxyethoxy)-4'-nitrostilbene (3) was prepared and polycondensed with terephthaloyl chloride, adipoyl chloride, and sebacoyl chloride to yield novel T-type polyesters (4-6) containing the NLO-chromophores dioxynitrostilbenyl groups, which constituted parts of the polymer backbones. Polymers 4-6 are soluble in common organic solvents such as acetone and N,N-dimethylformamide. They showed thermal stability up to 260 oC in thermogravimetric analysis with glass-transition temperatures obtained from differential scanning calorimetry in the range 90-95 oC. The second harmonic generation (SHG) coefficients (d33) of poled polymer films at the 1064 nm fundamental wavelength were around 1.42 ´ 10-9 esu. The dipole alignment exhibited high thermal stability up to 5 oC higher than glass-transition temperature (Tg), and there was no SHG decay below 100 oC due to the partial main-chain character of polymer structure, which is acceptable for NLO device applications.

Nanofinger Sensors for Health-related Applications

  • Kim, An-Sun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.113.1-113.1
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    • 2014
  • Surface-enhanced Raman scattering (SERS) has long been projected as a powerful analytical technique for chemical and biological sensing applications. Pairing with portable Raman spectrometers makes the technique extremely appealing as real-time sensors for field application. However, the lack of reliable, uniform, low cost and ease-of-use SERS enhancement structures has prevented the wide adoption of this technique for general applications. We have discovered a novel hybrid structure based on the high-density and uniform arrays of gold nanofingers over a large surface area for SERS applications. The nanofingers are flexible and their tips can be brought together to trap molecules to mimic the biological system. We report here a rapid, simple, low-cost, and sensitive method of detecting trace level of food contaminants by using nanofinger chips based on portable SERS technique. We also present here the characterization of surface reaction of target molecules with our gold nanofinger substrates and the effect of nanofinger closing towards SERS performance. This new type of nano-structures can potentially revolutionize the medical and biologic research by providing a novel way to capture, localize, manipulate, and interrogate biological molecules with unprecedented capabilities.

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Development of Novel Polymeric Sunscreen Agent

  • Hyo-Joong Kim;Hye
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.22 no.2
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    • pp.89-98
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    • 1996
  • A novel polymeric sunscreen agent was developed. It was prepared by the coupling reaction of 2-ethylhexyl 4-hydroxycinnamate with poly vinylbenzyl chloride(PVBC, average MW 6,500). In this reaction the reactivity was mostly affected by catalyst. In the absence of catalyst the yield was approximately 55% and in the presence of tetrabutylammonium bromide the yield was about 65%, but in the presence of tetrabutylammonium iodide the yield was 100% to give a average molecular weight 20,000 polymeric sunscreen agent. There were no side reactions, and its structure and purity were confirmed by various analytical methods, such as NMR, IR, and so on. UV radiation absorption efficiency is more than 70% compared with that of octyl methoxycinnamate. The solubility in polar oil, for example C12-15 alkylbenzoate and caprylic/capric triglyceride, is more than 50%. It showed high stability in the time course of test including acceleration test. This polymer is safe to skin because of poor permeability to skin, no side products in the process of preparing, and easy elimination of excess starting materials.

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Fabrication of Colloidal Clusters of Polymer Microspheres and Nonspherical Hollow Micro-particles from Pickering Emulsions

  • Cho, Young-Sang;Kim, Tae-Yeol;Yi, Gi-Ra;Kim, Young-Kuk;Choi, Chul-Jin
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.159-166
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    • 2012
  • We have introduced the Pickering emulsion systems to generate novel confining geometries for the selforganization of monodisperse polymer microspheres using nanoparticle-stabilized emulsion droplets encapsulating the building block particles. Then, through the slow evaporation of emulsion phases by heating, these microspheres were packed into regular polyhedral colloidal clusters covered with nanoparticle-stabilizers made of silica. Furthermore, polymer composite colloidal clusters were burnt out leaving nonspherical hollow micro-particles, in which the configurations of the cluster structure were preserved during calcination. The selfassembled porous architectures in this study will be potentially useful in various applications such as novel building block particles or supporting materials for catalysis or gas adsorption.

Synthesis and Conformational Analysis of Novel Polymeric Ligands based on myo-Inositol (마이오 이노시톨을 이용한 고분자 리간드의 합성 및 형태 분석)

  • Kim, Tae-Hyeon;Holmes, Andrew B.
    • Journal of the Korean Chemical Society
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    • v.50 no.2
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    • pp.129-136
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    • 2006
  • Synthesis of novel polymeric ligands based on myo-inositol was performed. Cyclopolymerization, whose mechanism and the cyclic structure were proved, was first attempted to build a conformationally rigid inositol polymer. Comparative spectroscopic methods were introduced to verify the conformation of the prepared cyclohexane polymers. A conformationally rigid polymeric ligand was successfully prepared using myo-inositol carbonate.

Endophytic Diaporthe sp. ED2 Produces a Novel Anti-Candidal Ketone Derivative

  • Yenn, Tong Woei;Ring, Leong Chean;Nee, Tan Wen;Khairuddean, Melati;Zakaria, Latiffah;Ibrahim, Darah
    • Journal of Microbiology and Biotechnology
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    • v.27 no.6
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    • pp.1065-1070
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    • 2017
  • This study aimed to examine the anti-candidal efficacy of a novel ketone derivative isolated from Diaporthe sp. ED2, an endophytic fungus residing in medicinal herb Orthosiphon stamieus Benth. The ethyl acetate extract of the fungal culture was separated by open column and reverse phase high-performance liquid chromatography (HPLC). The eluent at retention time 5.64 min in the HPLC system was the only compound that exhibited anti-candidal activity on Kirby-Bauer assay. The structure of the compound was also elucidated by nuclear magnetic resonance and spectroscopy techniques. The purified anti-candidal compound was obtained as a colorless solid and characterized as 3-hydroxy-5-methoxyhex-5-ene-2,4-dione. On broth microdilution assay, the compound also exhibited fungicidal activity on a clinical strain of Candida albicans at a minimal inhibitory concentration of $3.1{\mu}g/ml$. The killing kinetic analysis also revealed that the compound was fungicidal against C. albicans in a concentration- and time-dependent manner. The compound was heat-stable up to $70^{\circ}C$, but its anti-candidal activity was affected at pH 2.