• Title/Summary/Keyword: Novel chemical structure

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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.

Backbone 1H, 15N, and 13C Resonance Assignments and Secondary Structure of a Novel Protein OGL-20PT-358 from Hyperthermophile Thermococcus thioreducens sp. nov.

  • Wilson, Randall C.;Hughes, Ronny C.;Curto, Ernest V.;Ng, Joseph D.;Twigg, Pamela D.
    • Molecules and Cells
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    • v.24 no.3
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    • pp.437-440
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    • 2007
  • $OGL-20P^T$-358 is a novel 66 amino acid residue protein from the hyperthermophile Thermococcus thioreducens sp. nov., strain $OGL-20P^T$, which was collected from the wall of the hydrothermal black smoker in the Rainbow Vent along the mid-Atlantic ridge. This protein, which has no detectable sequence homology with proteins or domains of known function, has a calculated pI of 4.76 and a molecular mass of 8.2 kDa. We report here the backbone $^1H$, $^{15}N$, and $^{13}C$ resonance assignments of $OGL-20P^T$-358. Assignments are 97.5% (316/324) complete. Chemical shift index was used to determine the secondary structure of the protein, which appears to consist of primarily ${\alpha}$-helical regions. This work is the foundation for future studies to determine the three-dimensional solution structure of the protein.

Fabrication of Vertical Organic Junction Transistor by Direct Printing Method

  • Shin, Gunchul;Kim, Gyu-Tae;Ha, Jeong Sook
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.731-736
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    • 2014
  • An organic junction transistor with a vertical structure based on an active layer of poly(3-hexylthiophene) was fabricated by facile micro-contact printing combined with the Langmuir-Schaefer technique, without conventional e-beam or photo-lithography. Direct printing and subsequent annealing of Au-nanoparticles provided control over the thickness of the Au electrode and hence control of the electrical contact between the Au electrode and the active layer, ohmic or Schottky. The junction showed similar current-voltage characteristics to an NPN-type transistor. Current through the emitter was simply controllable by the base voltage and a high transconductance of ~0.2 mS was obtained. This novel fabrication method can be applied to amplifying or fast switching organic devices.

Nanoprobe-based Mechano-Chemical Scanning Probe Lithography Technology (나노프로브 응용 기계-화학적 나노리소그래피 기술)

  • Sung, In-Ha;Kim, Dae-Eun;Shin, Bo-Sung
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1043-1047
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    • 2003
  • With the advancement of micro-systems and nanotechnology, the need for ultra-precision fabrication techniques has been steadily increasing. In this paper, a novel nano-structure fabrication process that is based on the fundamental understanding of nano-scale tribological interaction is introduced. The process, which is called Mechano-Chemical Scanning Probe Lithography (MC-SPL), has two steps, namely, mechanical scribing for the removal of a resist layer and selective chemical etching on the scribed regions. Organic monolayers are used as a resist material, since it is essential for the resist to be as thin as possible in order to fabricate more precise patterns and surface structures. The results show that high resolution patterns with sub-micrometer scale width can be fabricated on both silicon and various metal surfaces by using this technique.

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Solid-state Chracterization of the HIV Protease Inhibitor

  • Kim, Yong-Ae;Kim, Ae-Ri
    • Bulletin of the Korean Chemical Society
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    • v.23 no.12
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    • pp.1729-1732
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    • 2002
  • The LB71350,(3S, 4R)-Epoxy-(5S)-[[N-(1-methylethoxy)carbonyl]-3-(methylsulfonyl)-L-valinyl]amino]-N-[2-methyl-(1R)-[(phenyl)carbonylpropyl-6-phenylhexanamide, is a novel HIV protease inhibitor. Its equilibrium solubility at room temperature was less than $40{\mu}g/mL.$ It was speculated that the low aqueous solubility might be due to the high crystalline lattice energy resulting from intermolecular hydrogen bonds. The present study was carried out to learn the solid-state characteristics of LB71350 using analytical methods such as NMR, FT-IR and XRD. $^{13}C$ Solid-state NMR, solution NMR, and FT-IR spectra of the various solid forms of LB71350 were used to identify the conformation and structure of the solid forms. The chemical shifts of $^{13}C$ solid-state NMR spectra suggest that the crystalline form might have 3 intermolecular hydrogen bondings between monomers.

HYDROLYZED GINSENG-SAPONIN QUATERNARY; A NOVEL CONDITIONING AGENT FOR HAIR CARE PRODUCTS

  • Kim, Young-Dae;Kim, Chang-Kew;Lee, Chung-Nam;Ha, Byung-Jo
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.14 no.1
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    • pp.16-37
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    • 1988
  • A new quaternary ammonium compound, hydrolyzed ginseng-sapoin quaternary (HGSQ), from hydrolyzed Korean ginseng-saponin and 2, 3-epoxypropyltrimethyl ammonium chloride has been developed as a conditioning agent for hair care products. This structure has the hydrophilic group from the introduced cationic and the hydrophobic group from the aglycone of ginseng saponin. Its properties: surface tension, conductivity, critical micelle concentration, eye irritation, sorption onto hair, force reduction (%) for 20% extension and moisture retention effect comparing with the commercial standards. Also half-head tests of HGSQ-containing shampoo were carried out to compare the conditioning effects in shampoos.

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3D Structure of Bacillus halodurans O-Methyltransferase, a Novel Bacterial O-Methyltransferase by Comparative Homology Modeling

  • Lee, Jee-Young;Lee, Sung-Ah;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.28 no.6
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    • pp.941-946
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    • 2007
  • Bacillus halodurans O-methyltransferase (BhOMT) is a S-adenosylmethionine (SAM or AdoMet) dependent methyltransferase. Three dimensional structure of the BhOMT bound to S-adenosyl-L-homocysteine (SAH or AdoHcy) has been determined by comparative homology modeling. BhOMT has 40% sequence identity with caffeoyl-CoA 3-O-methyltransferase (CCoAOMT) from alfalfa. Based on x-ray structure of CCoAOMT, three dimensional structure of BhOMT was determined using MODELLER. The substrate binding sites of these two proteins showed slight differences, but these differences were important to characterize the substrate of BhOMT. Automated docking study showed that four flavonoids, quercetin, fisetin, myricetin, and luteolin which have two hydroxyl groups simultaneously at 3'- and 4'-position in the B-ring and structural rigidity of Cring resulting from the double bond characters between C2 and C3, were well docked as ligands of BhOMT. These flavonoids form stable hydrogen bondings with K211, R170, and hydroxyl group at 3'-position in the Bring has stable electrostatic interaction with Ca2+ ion in BhOMT. This study will be helpful to understand the biochemical function of BhOMT as an O-methyltransferase for flavonoids.

Multi-responsive hydrogel cross-linked synthesized spiropyran-based hydrophilic cross-linker (스피로피란 기반 친수성 가교제를 활용한 다중 자극 감응형 하이드로젤)

  • Jeong, Hye-Won;Kim, Sang Jin;Heo, Eun-Jin;Shin, Sung Gyu;Han, Sa Ra;Jeong, Jae Hyun
    • Journal of the Korean Applied Science and Technology
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    • v.38 no.1
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    • pp.126-135
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    • 2021
  • Stimuli-responsive hydrogels are being extensively studied to alter their physiochemical properties in response to external changes such as temperature, pH, light and mechanical stress. This study reports multi-responsive hydrogel having optical change response to external stress. First, we synthesized a novel spiropyran cross-linker successfully by grafting poly(ethylene glycol) diacrylate (PEGDA) on both side of spiropyran and introduced to hydrogel. In the results, the yellow spriopyran structure was conversed to purple merocyaine structure by internal stress during swelling of the hydrogels cross-linked with the SP-PEGDAs. Also, the hydrogel could be visualized the swelling and deswelling process in response to pH, by converting MC and prontonated MC structure.

Novel Cationic 2-Phenylpyridine-based Iridium(III) Complexes Bearing an Ancillary Phosphine Ligand: Synthesis, Photophysics and Crystal Structure

  • Ma, Ai-Feng;Seo, Hoe-Joo;Jin, Sung-Ho;Yoon, Ung-Chan;Hyun, Myeong-Ho;Kang, Sung-Kwon;Kim, Young-Inn
    • Bulletin of the Korean Chemical Society
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    • v.30 no.11
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    • pp.2754-2758
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    • 2009
  • Three novel phosphorescent 2-phenylpyridine-based iridium(III) complexes, $[(ppy)_2Ir(P\^{}N)]PF6\;(1),\;[(dfppy)_2Ir(P\^{}N)]PF_6$ (2), and $[(dfmppy)_2 Ir(P\^{}N)]PF6$ (3), where $P\^{}N$ = 2-[(diphenylphosphino)methyl]pyridine (dppmp), were synthesized and characterized. The absorption, photoluminescence, cyclic voltammetry and thermal stability of the complexes were investigated. The complexes showed bright blue luminescences at wavelengths of 448 $\sim$ 500 nm at room temperature in $CHCl_3$ and revealed that the $\pi$-acceptor ability of the phosphorous atom in the ancillary dppmp ligand plays an important role in tuning emission color resulting in a blue-shift emission. The single crystal structure of $[(dfmppy))_2Ir(P\^N)]PF_6$ was determined using X-ray crystallography. The iridium metal center adopts a distorted octahedral structure coordinated to two dfmppy and one dppmp ligand, showing cis C-C and trans N-N chelate dispositions. There is a $\pi-\pi$ overlap between π electrons delocalized in the difluorophenyl rings.

Synthesis and Surface Characteristics of Novel Oligomeric Silane with Perfluoropolyether (과불소 폴리에테르 포함 새로운 실란형 올리고머의 합성과 표면 특성)

  • Park, Eun-Young;Lee, Sang-Goo;Ha, Jong-Wook;Park, In-Jun;Lee, Soo-Bok;Lee, Yong-Taek
    • Polymer(Korea)
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    • v.32 no.4
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    • pp.397-402
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    • 2008
  • Perfluoropolyether(PFPE) has been widely applied in industry because of its very excellent properties of very high contact angle and low surface energy, good lubricant property and antifouling property. But the difficulty to synthesize PFPE has limited the research on this field. In this study, the novel silicon-containing oligomer with perfluoropolyether moiety was synthesized, and the structure was characterized by $^{19}F$-NMR and $^1H$-NMR. The surface properties of contact angle, sliding angle, and soil release property were investigated. The results show that PFPE in this study can be utilized as an anti-smudge coating material because it shows lower sliding angle and better soil release property than commercial products.