• Title/Summary/Keyword: 활성모델

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A Comparative Study on Adsorption Characteristics of PCBs in Transformer Oil Using Various Adsorbents (여러 흡착제를 이용한 변압기 오일 중의 PCBs 흡착특성에 관한 비교연구)

  • Ryoo, Keon Sang;Hong, Yong Pyo;Ahn, Chun Ju
    • Journal of the Korean Chemical Society
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    • v.56 no.6
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    • pp.692-699
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    • 2012
  • The aim of the present study is to explore the possibility of utilizing loess and fly ash as well as activated carbon for the adsorptive removal of PCBs in transformer oil. Here, we investigated the effect of various factors such as temperature (5, 25, 55), contact time (30 min-3 day) and adsorbent does (1, 2.5, 5, 10 g) in detail. It was found that PCBs adsorption rate from transformer oil by activated carbon is more favored than loess at the equilibrium time of 60 minutes. The equilibrium data for both activated carbon and loess is fitted well to the Freundlich isotherm model. The rate constant and activation energy of PCBs adsorption in transformer oil on each adsorbent was analyzed by fitting a kinetic model at 5, 25 and $55^{\circ}C$. From the thermodynamic parameters, the PCBs adsorption process for transformer oil/activated carbon and loess system is spontaneous and endothermic in nature.

Comparative Study on the Micellization of SDS/Brij 30, DBS/Brij 30, and SDS/DBS Mixed Surfactant Systems in Pure Water (순수 물에서 SDS/Brij 30, DBS/Brij 30 및 SDS/DBS 혼합계면활성제의 미셀화에 대한 비교연구)

  • Lee, Byung-Hwan;Park, In-Jung
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.379-384
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    • 2011
  • The critical micelle concentration (CMC) and the counter ion binding constant (B) for the mixed micellizations of DBS (sodium dodecylbenzenesulfonate), SDS (sodium dodecylsulfate), and Brij 30 (polyoxyethylene(4) lauryl ether) at $25^{\circ}C$ in pure water were determined by the use of electric conductivity and surface tension measuring methods. Various thermodynamic parameters ($X_i,\;{\gamma}i,\;C_i,\;a_i^M,\;{\beta}$, and ${\Delta}H_{mix}$) were calculated and compared with each other mixed surfactant system by means of the equations derived from the nonideal mixed micellar model. The results show that the SDS molecule interacts more strongly with Brij 30 molecule than DBS molecule and that the SDS/Brij 30 mixed surfactant system has the greatest negative deviation from the ideal mixed micellar model and the SDS/DBS mixed system has followed almost the ideal mixed micellar model.

Effect of n-Butanol on the Micellization of DBS/Brij 35 Mixed Surfactant Systems (DBS/Brij 35 혼합계면활성제의 미셀화에 미치는 n-부탄올 효과)

  • Lee, Byeong-Hwan;Park, In-Jeong
    • Journal of the Korean Chemical Society
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    • v.50 no.5
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    • pp.355-361
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    • 2006
  • The critical micelle concentration (CMC) and the counterion binding constant (B) in a mixed micellar state of the sodium dodecylbenzenesulfonate (DBS) with the polyoxyethylene(23) lauryl ether (Brij 35) at 25oC in water and aqueous solutions of n-butanol (0.1M, 0.2M, and 0.3M) were determined as a function of a1 (the overall mole fraction of DBS) by the use of electric conductivity method and surface tensiometer method. Various thermodynamic parameters (Xi, i, Ci, aiM, , and Hmix) were calculated by means of the equations derived from the nonideal mixed micellar model. The effect of n-butanol on the micellization of the DBS/Brij 35 mixtures has been also studied by analyzing the measured and calculated thermodynamic parameters.

3D-QSAR Analyses on the Inhibition Activity of 4-Hydroxybenzyl alcohol Analogues Against Tyrosinase (4-Hydroxybenzyl alcohol 유도체들의 Tyrosinase 활성 저해에 대한 3D-QSAR 분석)

  • Kim, Sang Jin;Sung, Nack Do
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.39 no.4
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    • pp.329-335
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    • 2013
  • Three-dimensional quantitative structure-activity relationships (3D-QSARs) models between the substituents with changing groups ($R_1$ & $R_2$) of 4-hydroxybenzyl alcohol (4-HBA) derivatives as substrate molecule and their inhibitory activities against tyrosinase were derived and discussed quantitatively. The optimized CoMSIA FF model showed the best predictability and fitness ($r^2$ = 0.858 & $q^2$ = 0.951). The contour maps of the optimized CoMSIA FF model showed that, the inhibitory activities of the analogues against tyrosinase were expected to increase when hydrophobic (Hy) favor, negative charge (E) favor, steric (S) disfavor and hydrogen bond donor (HD) disfavor groups were substituted at the $R_2$ position. When the hydrogen bond donor (HD) favor groups were substituted at the $R_1$ position, it is predicted that the substituents will be able to increase the inhibitory activity.

Absorption Characteristics and Prediction Model of Ginger Powder by Different Drying Methods (건조방법에 따른 생강분말의 흡습특성과 예측모델에 관한 연구)

  • Shin, Hae-Kyoung;Hwang, Sung-Hee;Youn, Kwang-Sup
    • Korean Journal of Food Science and Technology
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    • v.35 no.2
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    • pp.211-216
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    • 2003
  • Absorption characteristics of hot air-. vacuum-, and freeze-dried ginger powder were investigated. Monolayer moisture content as determined by GAB equation was $0.257{\sim}0.540\;H_2O/g$, showing higher significance than BET equation. Absorption enthalpy was calculated based on different drying methods and water activities. Absorption energy decreased with increasing water activity but was not affected by drying method. Isotherm curves showed a typical sigmoid form. Among models applied for predicting equilibrium moisture content, Caurie model was the best fit model for ginger powder, showing the lowest prediction deviation of $1.2{\sim}5.4%$, followed by Henderson then Bradley models. The prediction model equations for the moisture content were established by in(time), water activity, and temperature.

Pure and Binary Mixture Gases Adsorption Equilibria of Hydrogen/Methane/Ethylene on Activated Carbon (활성탄에서의 H2/CH4/C2H4 순수 기체와 이성분 혼합기체의 흡착평형)

  • Jeong, Byung-Man;Kang, Seok-Hyun;Choi, Hyun-Woo;Lee, Chang-Ha;Lee, Byung-Kwon;Choi, Dae-Ki
    • Korean Chemical Engineering Research
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    • v.43 no.3
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    • pp.371-379
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    • 2005
  • Adsorption equilibria of the gases $H_2$, $CH_4$, and $C_2H_4$ and their binary mixtures on activated carbon (Calgon co.) have been measured by static volumetric method in the pressure range of 0 to 18 atm at temperatures of 293.15, 303.15, and 313.15 K. From the parameters obtained from single component adsorption isotherm, multi-component adsorption equilibria could be predicted and compared with experimental data. The binary experimental data were applied to four models : extended Langmuir, extended Langmuir-Freundlich, Ideal Adsorbed Solution theory (IAST), and Vacancy Solution Model (VSM). The models were found to describe the experimental data with a reasonable accuracy. Extended L-F model predicts equilibria of mixture better than any other model.

Comparative Molecular Similarity Indices Analyses (CoMSIA) on the Herbiridal Activities of New 5-benzofuryl-2-[1-(alkoxy-imino)alkyl]-3-hydroxycyclo-hex-2-en-1-one Derivatives (새로운 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclo-hex-2-en-1-one 유도체들의 제초활성에 관한 비교분자 유사성지수 분석)

  • Sung, Nack-Do;Jung, Ki-Sung;Jung, Hoon-Sung;Chung, Young-Ho
    • The Korean Journal of Pesticide Science
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    • v.10 no.1
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    • pp.7-14
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    • 2006
  • Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the herbicidal activities against in-vitro pre-emergence rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) by new 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one derivatives were studied quantitatively using comparative molecular similarity indices analysis (CoMSIA) methodology. The optimized CoMSIA model(A5: $r^2_{cv.}=0.569$ & $r^2_{ncv.}=0.941$) for rice plant exhibited a good correlation with steric (31.6%) and hydrophobic (39.7%) factors of the substrate molecules, and the model (B4: $r^2_{cv.}=0.569$ & $r^2_{ncv.}=0.941$) for barnyardgrass exhibited a good correlation with electrostatic (46.7%) and H-bond acceptor field (30.8%), respectively. The predicted $R_1=SF_5,\;R_2=R_3=R_4=H(P1)$ substituent (Rice plant: $pI_{50}=4.84$ & Barnyardgrass: $pI_{50}=7.21$, ${\Delta}pI_{50}=2.37$) by the model (B4) not only exhibited to the highest herbicidal activity against barnyardgrass, but also exhibited to the highest selecticity between two plants.

Sorption Analysis of Carbon Dioxide onto Cesium Carbonate (세슘카보네이트에서 이산화탄소의 수착반응)

  • Son, Young-Sik;Kim, Seong-Soo;park, Sang-Wook
    • Korean Chemical Engineering Research
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    • v.47 no.3
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    • pp.373-379
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    • 2009
  • Cesium carbonate was used as an adsorbent to capture carbon dioxide from gaseous stream of carbon dioxide, nitrogen, and moisture in a fixed-bed to obtain the breakthrough data of $CO_2$. The deactivation model in the non-catalytic heterogeneous reaction systems is used to analyze the sorption kinetics among carbon dioxide, carbonate, and moisture using the experimental breakthrough data. The experimental breakthrough data are fitted very well to the deactivation model than the adsorption isotherm models in the literature.

Effects of Dioscorea daemona Roxb. Stem Extract on the Inflammatory Responses, Antioxidant System and Lipid Levels in Vivo and the Production of Inflammatory Mediators in RAW264.7 Cells (Dioscorea daemona Roxb. (Stem) 추출물이 Rat의 염증반응 및 항산화 체계에 미치는 영향과 RAW264.7 세포주의 염증성 매개물 생성에 미치는 영향)

  • Choi Eun-Mi;Koo Sung-Ja
    • Journal of the East Asian Society of Dietary Life
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    • v.15 no.6
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    • pp.707-716
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    • 2005
  • 본 연구에서는 다양한 동물 모델을 사용하여 Dioscorea daemona Roxb. 줄기 메탄을 추출물(DD)의 항염증 활성을 측정하였으며 DD가 생체내에서 항산화 체계의 변화를 유도할 수 있는지도 살펴보았다. DD를 200mg/kg용량으로 3주간 경구투여하였을 때 동물실험모델에서 항염증 및 type IV 알레르기 억제 효과를 나타내었으며 혈청의 Catalase 활성, 지질 과산화, TG 및 HDL cholesterol 수치가 영향을 받았다. DD와 이를 클로로포름과 부탄올로 순차적으로 분획하여 얻은 fraction이 lipopolysaccharide(LPS)로 유도한 RAW264.7 대식세포주의 nitric oxide(NO), prostaglandin $E_2(PGE_2)$, tumor necrosis $factor-\alpha(TNF-\alpha)$, interleukin 6(IL6)의 생성을 억제하는지도 연구하였다. DD와 그 분획물들은 $4\~100{\mu}g/mL$ 농도에서 세포 독성을 나타내지 않고 LPS가 유도한 RAW264.7 세포주의 NO, $TNF-\alpha$, IL-6 생성을 억제하였다. LPS가 유도한 $PGE_2$ 생성은 DD의 클로로포름 분획에서 유의적으로 감소하였다(p<0.05). 따라서 Dioscorea daemona 추출물은 대식세포의 염증성 매개물의 억제를 통하여 항염증 활성을 나타내는 것으로 사료된다.

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Effect of NaCl on the Mixed Micellar Properties of Sodium Dodecyl Sulfate(SDS) with Tetraethylene Glycol Monododecyl Ether(TGME) (Sodium Dodecyl Sulfate(SDS)와 Tetraethylene Glycol Monododecyl Ether(TGME)의 혼합미셀화에 미치는 NaCl의 효과)

  • Lee, Byung-Hwan
    • Journal of the Korean Chemical Society
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    • v.39 no.12
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    • pp.896-901
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    • 1995
  • The critical micelle concentrations(CMC$^*$) of the mixed surfactant systems of Sodium dodecyl sulfate(SDS) with Tetraethylene glycol monododecyl ether(TGME) in the aqueous solutions of NaCl at $25^{\circ}C$ were determined as a function of the overall mole fraction of $SDS(\alpha1)$ by the use of surface tension method. Various thermodynamic parameters for the micellization of SDS/TGME mixed surfactant systems were calculated and analyzed by means of the equations derived from the nonideal mixed micelle model, based on the pseudo-phase separation model.

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