• Title/Summary/Keyword: catalytic effect

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Molecular Modeling and its Experimental Verification for the Catalytic Mechanism of Candida antarctica Lipase B

  • Kwon, Cheong-Hoon;Shin, Dae-Young;Lee, Jong-Ho;Kim, Seung-Wook;Kang, Jeong-Won
    • Journal of Microbiology and Biotechnology
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    • v.17 no.7
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    • pp.1098-1105
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    • 2007
  • Quantum mechanical and molecular dynamics simulation analysis has been performed on the model system for CALB (Candida antarctica lipase B) with esters to study the reaction mechanism and conformational preference of catalytic hydrolysis and the esterification reaction. Using quantum mechanical analysis, the ping-pong bi-bi mechanism was applied and energies and 3-dimensional binding configurations of the whole reaction pathways were calculated. Further molecular dynamics simulation analysis was performed on the basis of the transition state obtained from quantum mechanical study to observe the effect of structures of the substrates. Calculation results using substrates of different chain length and chiral configurations were compared for conformational preference. The calculated results showed very small influence on chain length, whereas chiral conformation showed big differences. Calculated results from molecular modeling studies have been compared qualitatively with the experimental data using racemic mixtures of (${\pm}$)-cis-4-acetamido-cyclopent-2-ene-1-ethyl acetate as substrates.

Phenol Hydroxylation over TS-1 Synthesized by Hydrothermal and Microwave Heating Method: Solvent Dependence (수열 합성법과 마이크로파 가열법으로 제조한 TS-1 촉매에 의한 페놀 수산화 반응: 용매의 영향)

  • Kwon, Song-Yi;Yoon, Song-Hun;Lee, Jong-Min;Chang, Jong-San;Lee, Chul-Wee
    • Korean Chemical Engineering Research
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    • v.49 no.2
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    • pp.151-154
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    • 2011
  • Catalytic activity such as conversion and selectivity on the phenol hydroxylation over TS-1 prepared by hydrothermal method and microwave heating method, respectively, was compared and discussed for understanding the dependence of solvent such as water, methanol, acetone, respectively, during phenol hydroxylation, with hydrogen peroxide. Basic physical properties such as XRD, EDS, SEM and $N_{2}$ adsorption/desorption were determined and compared. The relationship between catalytic activity and physical properties of TS-1 was explained.

Flame Synthesis of Carbon Nanofibers using SUS304 Substrates (촉매금속 기판을 사용한 탄소나노섬유의 연소합성)

  • Lee, Gyo-Woo;Jurng, Jong-Soo;Hwang, JungHo
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1378-1383
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    • 2003
  • Synthesis of carbon nanofibers on a metal substrate by an ethylene fueled inverse diffusion flame was illustrated. Stainless steel plates were used for the catalytic metal substrate. The effects of radial distance and residence time of the substrate were investigated. The role of hydrocarbon composition in the fuel was also viewed. Nanofibers with a diameter range of 30-70 nm were found on the substrate. The carbon nanofibers were formed and grown in the region from 4 to 5.5 mm from the central axis of a flame outside of the visible flame front in the radial direction. The minimum residence time required for the formation of carbon nanofibers were about 20 seconds, and over 60 seconds were required for the full-scale growth. The characteristic time of the formation of carbon nanofibers was much shorter than that of the substrate temperature growth. In this study, the variation in hydrocarbon composition had no significant effect on the formation and growth of the carbon nanofibers.

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Effect of Support in HI Decomposition Reaction using Pt Catalyst (Pt 촉매를 이용한 HI분해반응에서 지지체에 따른 영향)

  • Ko, Yun-Ki;Park, Chu-Sik;Kang, Kyoung-Soo;Bae, Ki-Kwang;Kim, Young-Ho
    • Transactions of the Korean hydrogen and new energy society
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    • v.22 no.4
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    • pp.415-423
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    • 2011
  • HI decomposition step certainly demand catalytic reaction for efficient production of hydrogen in SI process. Platinum catalyst can apply to HI decomposition reaction as well as hydrogenation or dehydrogenation. Generally, noble metal is used as catalyst which is loaded form for getting high dispersion and wide active area. In this study, Pt was loaded onto zirconia, ceria, alumina, and silica by impregnation method. HI decomposition reaction was carried out under the condition of $450^{\circ}C$, 1atm, and $167.76h^{-1}$ (WHSV) in a fixed bed reactor for measuring catalytic activity. And property of a catalyst was observed by BET, TEM, XRD and chemisoption analysis. On the basis of experimental results, we discussed about conversion of HI according to physical properties of the loaded Pt catalyst onto each support.

Antiproliferative Effects of Crocin in HepG2 Cells by Telomerase Inhibition and hTERT Down-Regulation

  • Noureini, Sakineh Kazemi;Wink, Michael
    • Asian Pacific Journal of Cancer Prevention
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    • v.13 no.5
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    • pp.2305-2309
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    • 2012
  • Crocin, the main pigment of Crocus sativus L., has been shown to have antiproliferative effects on cancer cells, but the involved mechanisms are only poor understood. This study focused on probable effect of crocin on the immortality of hepatic cancer cells. Cytotoxicity of crocin ($IC_{50}$ 3 mg/ml) in hepatocarcinoma HepG2 cells was determined after 48 h by neutral red uptake assay and MTT test. Immortality was investigated through quantification of relative telomerase activity with a quantitative real-time PCR-based telomerase repeat amplification protocol (qTRAP). Telomerase activity in 0.5 ${\mu}g$ protein extract of HepG2 cells treated with 3 mg/ml crocin was reduced to about 51% as compared to untreated control cells. Two mechanisms of inhibition, i.e. interaction of crocin with telomeric quadruplex sequences and down regulation of hTERT expression, were examined using FRET analysis to measure melting temperature of a synthetic telomeric oligonucleotide in the presence of crocin and quantitative real-time RT-PCR, respectively. No significant changes were observed in the $T_m$ telomeric oligonucleotides, while the relative expression level of the catalytic subunit of telomerase (hTERT) gene showed a 60% decrease as compared to untreated control cells. In conclusion, telomerase activity of HepG2 cells decreases after treatment with crocin, which is probably caused by down-regulation of the expression of the catalytic subunit of the enzyme.

A Study on Mobility Gradients and Phase Transitions in N-propyl-N,N-dimethylethanolamine Reaction (N-propyl-N,N-dimethylethanolamine 반응에서 유동성 변화와 상전이에 관한 연구)

  • Kim, Ki-Jun;Sung, Wan-Mo;Lee, Joo-Youb
    • Journal of the Korean Applied Science and Technology
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    • v.32 no.1
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    • pp.165-169
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    • 2015
  • N-propyl-N,N-dimethylethanolamine was directly ultrasonicated in acidic water for 6 minute to give clear stock solutions. The catalytic hydrolysis of N-propyl-N,N-dimethylethanolamine was studied at $30{\sim}55^{\circ}C$ in the presence of uni-lamellar vesicle and mixture of uni- and multi-lamellar aggregates. The difference of rate between uni- and mixture was observed, where uni-lamellar reaction was more catalytic effect. The phase transition temperature of vesicle was $37{\sim}44^{\circ}C$. The particle size of multi-lamellar than that of uni-lamellar of biological membrane was measured more largely.

Characterization of SCR System for NOx Reduction of Diesel Engine (II) (디젤엔진의 질소산화물 저감을 위한 Urea SCR 시스템 특성 분석 (II))

  • Lee, Joon-Seong;Kim, Nam-Yong
    • Journal of the Korean Society for Precision Engineering
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    • v.25 no.11
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    • pp.83-89
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    • 2008
  • The Effect of Space Velocity(SV) on NOx conversion rate was performed to develop NOx reduction after-treatment system. SV is calculated from engine exhaust gas volume and SCR catalyst volume. Found the Urea injection duty of maximum efficiency for NOx conversion if increase SV, NOx Conversion rate is down. Especially, when SV is more than $110,000h^{-1}$, NOx conversion rate decrease suddenly. Same case, if SV is lower than $40,000h^{-1}$, NOx conversion rate is down. Also, the characterization of Urea-SCR system was performed. Three candidate injectors for injecting Urea were tested in terms of 속 injection rate and NOx reduction rate. The performances of SCR catalytic converter on temperature were investigated. The performance of Urea-SCR system was estimated in the NEDC test cycle with and without EGR. It was found that nozzle type injector had high NOx conversion rate. SCR catalytic converter had the highest efficiency at the temperature of $350^{\circ}C$. EGR+Urea-SCR system achieved NOx reduction efficiency of 73% through the NEDC test cycle.

Conversion of Methanol to Hydrocarbons over Heteropoly Acids(II) (헤테로폴리산 촉매에 의한 탄화수소로의 메탄올 전환반응(II))

  • Hong, Seong-Soo;Lim, Ki-Chul;Lee, Ho-In
    • Applied Chemistry for Engineering
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    • v.4 no.2
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    • pp.335-341
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    • 1993
  • In the conversion of methanol, the effect of acide property of heteropoly compounds on the catalytic activity was investigated. The pretreatment of Cu-exchanged 12-tungstophosphoric acid with hydrogen enhanced both the selectivity for propane and the conversion of methanol, and the pretreatment of Al-exchanged 12-tungstophosphoric acid with water enhanced the acid strength of the catalyst. The water added into the reactant decreased the conversion of methanol, while the pretreatment temperature did not affect it but the propylene/propane ratio. Various partially-substituted Al salts of 12-tungstophosphoric acid showed different catalytic activities depending on the degree of Al-substitution.

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Chemoselective Alkylation of Aromatics with Benzyl Alcohol over Mesoporous ZSM-5

  • Jin, Hailian;Ansari, Mohd Bismillah;Jeong, Eun-Young;Park, Sang-Eon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.200-200
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    • 2011
  • Hierarchical mesoporous ZSM-5 with enhanced mesoporosity was synthesized by microwave through the rapid assembly via ionic interaction between sulfonic acid functionalized ZSM-5 nano particles and cationic surfactant. The catalytic performance of enhanced accessibility due to mesoporosity and acidity were investigated in the alkylation of mesitylene with benzyl alcohol as alkylating agent. The effect of mole ratio of aromatic with benzyl alcohol, reaction time and alkylation agent were also studied. The enhanced mesoporosity and acidity of sulfonic acid functionalized mesoporous ZSM-5 induced activity enhancement compared with non-functionalized mesoporous ZSM-5, sulfonic functionalized mesoporous ZSM-5 synthesized by hydrothermal method and conventional microporous ZSM-5. The sulfonic acid functionalized mesoporous ZSM-5 showed much higher chemoselectivity of benzylated mesitylene than others, whereas the others mainly show dibenzyl ether as product. This significant difference in catalytic selectivity was resulted from the existence of mesopores, which definitely allowed the benzylation in mesopores.

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Fast and Soft Functionalization of Carbon Nanotube with -SO3H, -COOH, -OH Groups for Catalytic Hydrolysis of Cellulose to Glucose

  • Lusha, Qin;Lee, Sungho;Li, Oi Lun
    • Journal of the Korean institute of surface engineering
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    • v.53 no.3
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    • pp.87-94
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    • 2020
  • Herein, sulfonated carbon nanotubes (CNT) have been prepared in dilute sulfuric acid (H2SO4) via a novel sulfonation approach based on gas-liquid interfacial plasma (GLIP) at room temperature. The sulfonic acid groups and total acid groups densities of CNT after GLIP treatment in 2 M H2SO4 for 45 min can reach to 0.53 mmol/g and 3.64 mmol/g, which is higher than that of sulfonated CNT prepared under 0.5 M / 1 M H2SO4. The plasma sulfonated CNT has been applied as catalysts for the conversion of microcrystalline cellulose to glucose. The effect of hydrolysis temperature and hydrolysis time on the conversion rate and product distribution have been discussed. It demonstrates that the total conversion rate of cellulose increasing with hydrolysis temperature and hydrolysis time. Furthermore, the GLIP sulfonated CNT prepared in 2 M H2SO4 for 45 min has shown high catalytic stability of 85.73 % after three cycle use.