• Title/Summary/Keyword: Steric bulk

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Thermal Properties and fracture Toughness of Difunctional Epoxy Resins Cured by Catalytic Initiators (촉매형 개시제로 경화된 이관능성 에폭시 수지의 열적 특성 및 파괴인성)

  • 박수진;허건영;이재락
    • Polymer(Korea)
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    • v.26 no.3
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    • pp.344-352
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    • 2002
  • In this work, two thermal cationic latent catalysts, i.e., triphenyl benzyl phosphonium hexafluoroantimonate (TBPH) and benzyl 2-methylpyrazinium hexafluoroantimonate (BMPH) were newly synthesized. And the thermal and mechanical properties of difunctional epoxy (diglycidylether of bisphenol h, DGEBA) resins initiated by 1 phr of either TBPH or BMPH catalyst were investigated. As experimental results, the epoxy/TBPH system showed higher curing temperature and critical stress intensity factor ($K_{IC}$) than those of epoxy/BMPH. This could be interpreted in terms of slow thermal diffusion rate and bulk structure of four phenyl groups in TBPH. However, the decomposed activation energy determined from Coats-Redfern method was lower in the case of epoxy/TBPH. This result was probably due to the fact that broken short chain structure was developed by steric hindrance of TBPH.

Preparation of p-Doped Polypyrrole and its Composition Latex and study on its Electrical Properties (p-Doped Polypyrrole및 composition Latex의 제조와 전도성 및 물성연구)

  • Han, Yu-Dong;Kim, Jung-Hyeon;Kim, Jung-In
    • Korean Journal of Materials Research
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    • v.4 no.7
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    • pp.808-816
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    • 1994
  • The work present here shows the technique to produce p-Doped polypyrrole particles by semibatch dispersion polymerization using steric-stabilizer. Monomer-starved polymerization process was successful to increase the particle size up to 50 nm in case of polyvinylalcohol (PVA) stabilizer, and up to 95 nm in case of methylcellulose stabilizer. The particle size and the bulk conductivity changed with the feed rates of monomer, the concentrations of initiator (dopant) and the type, molecular weight, concentrations of steric-stabilizer.

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Fluorine Labeling in Biosynthetic Studies (I) : Synthesis of Fluorfarnesols

  • Park, O-Sook
    • Archives of Pharmacal Research
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    • v.9 no.4
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    • pp.237-242
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    • 1986
  • The Synthesis of E, E, E-12-fluorofarnesol and E, Z-6-fluorofarnesol which are key intermediates for the study of biosynthesis of some sesquiterpenes, is described. E, E-Farnesyl acetate is treated with selenium dioxide to give E, E, E-12-hydroxy farnesyl acetate, whih is transformed by DAST into E, E, E-12-hydroxy farnesyl acetate, which is transformed by DAST into E, E, E,-12-fluorofarnesylacetate. The latter compound is hydrolyzed to E, E, E,-12-fluorofarnesol. The reformatsky reaction of 6-methyl-5-hepten-2-one with ethyl bromofluoroacetate affords ethyl 2-fluoro-3-hydroxy-3, 7 dimethyl-6-octanoate. This ester is acetylated and eliminated to give ethyl (Z)-2-fluoro-3, 7-dimethylocta-2, 6-dienoate, which is transformed to allyl bromide via allylic alcohol. The allyl bromide is treated with dianion of methyl acetate to give-keto ester. The $\beta$-keto ester is converted to diethyl phosphoryloxy compound. The conjugate addition of lithium dimethylcuprate to the latter compound gives fluoro ester, which is treated with DIBAL to afford E, Z-6-fluorofarnesol.

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Structure-Activity Relationship of 2-Substituted Hydroquinones as Tyrosinase Inhibitors for Topical Delivery

  • Lee, Yeon-Jung;Yoon, Sung-Il;Kim, Dae-Duk;Kim, Jung-Sun
    • Journal of Pharmaceutical Investigation
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    • v.36 no.2
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    • pp.103-107
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    • 2006
  • In order to develop hydroquinone analogues for topical delivery, a structure-activity relationship study has been performed. A series of 2-substituted hydroquinones were tested for their ability to inhibit mushroom tyrosinase, alter melanin release and exert cytotoxicity in B6-F10 melanocytes. The electronic property of the 2-substituents did not affect the tyrosinase inhibition nor melanocyte toxicity. However, lipophilicity did affect to some degree the tyrosinase inhibition. The discrepancy in the structure-activity relationship may be due to the poor aqueous solubility of select analogues. Compounds with steric bulk at the 2-position seems to be less soluble, not enabling the analogue to interact effectively with the tyrosinase enzyme. Among the analogues tested, 2-isopropyl hydroquinone seems to be the most promising candidate for topical delivery, being the least toxic analogue with moderate melanin release inhibition.

Understanding the Protox Inhibition Activity of Novel 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene Derivatives Using Comparative Molecular Similarity Indices Analysis (CoMSIA) Methodology (비교 분자 유사성 지수분석(CoMSIA) 방법에 따른 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chlore-4-fluorobenzene 유도체들의 Protox 저해 활성에 관한 이해)

  • Song, Jong-Hwan;Park, Kyung-Yong;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.47 no.4
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    • pp.414-421
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    • 2004
  • 3D QSAR studies for protox inhibition activities against root and shoot of the rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli) by a series of new 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene derivatives were conducted based on the results (Sung, N. D. et al.'s, (2004) J. Korean Soc. Appl. Biol. Chem. 47(3), 351-356) using comparative molecular similarity indices analysis (CoMSIA) methodology. Four CoMSIA models, without hydrogen bond donor field for the protox inhibition activities against root and shoot of the two plants, were derived from the combination of several fields using steric field, hydrophobic field, hydrogen bond acceptor field, LUMO molecular orbital field, dipole moment (DM) and molar refractivity (MR) as additional descriptors. The predictabilities and fitness of CoMSIA models for protox inhibition activities against barnyard-grass were higher than that of rice plant. The statistical results of these models showed the best predictability of the protox inhibition activities against barnyard-grass based on the cross-validated value $r^2\;_{cv}\;(q^2=0.635{\sim}0.924)$, non cross-validated, conventional coefficient $r^2\;_{ncv.}$ value $(r^2=0.928{\sim}0.977)$ and PRESS value $(0.255{\sim}0.273)$. The protox inhibition activities exhibited a strong correlation with the steric $(5.4{\sim}15.7%)$ and hydrophobic $(68.0{\sim}84.3%)$ factors of the molecules. Particularly, the CoMSIA models indicated that the groups of increasing steric bulk at ortho-position on the C-phenyl ring will enhance the protox inhibition activities against barnyard-grass and subsequently increase the selectivity.

3D-QSAR Analysis on the Fungicidal Activity with N-Phenylbenzenesulfonamide Analogues against Phytophthora blight (Phytophthora capsici) and Prediction of Higher Active Compounds (고추역병균(Phytophthora capsici)에 대한 N-Phenylbenzenesulfonamide 유도체들의 살균활성에 관한 3D-QSAR 분석과 고활성 화합물의 예측)

  • Soung, Min-Gyu;Kang, Kyu-Young;Cho, Yun-Gi;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.50 no.3
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    • pp.192-197
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    • 2007
  • 3D-QSARs on the fungicidal activity of N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-37) against Phytophthora blight (Phytophthora capsici) were studied quantitatively using CoMFA and CoMSIA methods. The statistical results of the optimized CoMFA (2) model ($r^2_{cv.}(q^2)$ = 0.692 & $r^2_{ncv.}$= 0.965) show better predictability and fitness than CoMSIA (2) model ($r^2_{cv.}(q^2)$ = 0.796 & $r^2_{ncv.}$= 0.958). The fungicidal activities according to the information of the optimized CoMFA (2) model were dependent upon the steric and electrostatic fields of the molecules. Therefore, from the contribution contour maps of CoMFA (2) model, it is expected that 63% contribution was caused by the steric bulk of meta-substituent ($R_1$) on the S-phenyl ring. Also, the other contribution level of 32.9% was represented by the positive charged $R_4-group$ ($R_1$) on the N-phenyl ring and para-substituent ($R_1$) on the S-phenyl ring. A series of higher active compounds, $R_1$= 3-decyl substituent ($pred.pI_50$= 5.88) etc. were predicted based on the findings.

Advanced Low-k Materials for Cu/Low-k Chips

  • Choi, Chi-Kyu
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.71-71
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    • 2012
  • As the critical dimensions of integrated circuits are scaled down, the line width and spacing between the metal interconnects are made smaller. The dielectric film used as insulation between the metal lines contributes to the resistance-capacitance (RC) time constant that governs the device speed. If the RC time delay, cross talk and lowering the power dissipation are to be reduced, the intermetal dielectric (IMD) films should have a low dielectric constant. The introduction of Cu and low-k dielectrics has incrementally improved the situation as compared to the conventional $Al/SiO_2$ technology by reducing both the resistivity and the capacitance between interconnects. Some of the potential candidate materials to be used as an ILD are organic and inorganic precursors such as hydrogensilsequioxane (HSQ), silsesquioxane (SSQ), methylsilsisequioxane (MSQ) and carbon doped silicon oxide (SiOCH), It has been shown that organic functional groups can dramatically decrease dielectric constant by increasing the free volume of films. Recently, various inorganic precursors have been used to prepare the SiOCH films. The k value of the material depends on the number of $CH_3$ groups built into the structure since they lower both polarity and density of the material by steric hindrance, which the replacement of Si-O bonds with Si-$CH_3$ (methyl group) bonds causes bulk porosity due to the formation of nano-sized voids within the silicon oxide matrix. In this talk, we will be introduce some properties of SiOC(-H) thin films deposited with the dimethyldimethoxysilane (DMDMS: $C_4H_{12}O_2Si$) and oxygen as precursors by using plasma-enhanced chemical vapor deposition with and without ultraviolet (UV) irradiation.

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Comparative Molecular Field Analyses on the Herbicidal Activities of New 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one Derivatives (새로운 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one 유도체들의 제초활성에 관한 비교 분자장 분석)

  • Chung, Ki-Sung;Jang, Seok-Chan;Choi, Kyung-Seob;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.49 no.3
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    • pp.238-242
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    • 2006
  • The herbicidal activities against the pre-emergence of rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-gall) with changing substituents $(R_1-R_4)$ of new 5-benzofuryl-2-[1-(alkoxyimino) alkyl]-3-hydroxycyclohex-2-en-1-one derivatives as substrate molecules were studied quantitatively using comparative molecular field analyses (CoMFA). The optimized CoMFA models (rice plant: A5 & barnyard grass: B3) were derived from atom based fit alignment and a combination of CoMFA fields. The two models for herbicidal activity against two plants showed the best predictability and fitness ($q^2$>0.6 & ${r^2}_{ncv.}$>0.94) for the herbicidal activities. Also, CoMFA-HINT contour maps showed that the selective herbicidal activity between rice plant and barnyard grass depends on the hydrophobicity of $R_2\;and\;R_3$ groups in molecule. Therefore, it is expected that the herbicidal activity against barnyard grass will be improved by the introduction of the steric bulk small and hydrophobic group.