• Title/Summary/Keyword: chemical oxide

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Quantum Mechanical Investigation on the Intermediates of Alkene-Ozone Reaction (알켄-오존 반응의 중간 생성물에 대한 ab initio 양자역학적 고찰)

  • Kang, Chang Deok;Kim, Seung Jun
    • Journal of the Korean Chemical Society
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    • v.42 no.2
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    • pp.161-171
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    • 1998
  • The geometrical parameters, vibrational frequencies, and IR intensities for primary ozonide (POZ), secondary ozonide (SOZ) and carbonyl oxide as the intermediates of alkene-ozone reaction have been predicted using high level ab initio quantum mechanical method with various basis sets. In general, the polarization function decreases bond lengths and bond angles, while the electron correlation effect increases bond lengths slightly. The electronic structure of carbonyl oxide has been predicted to be zwitterionic structure and energy difference between zwitterionic and diradical structure is evaluated to be 22.4 kcal/mol at TZ2P CISD level of theory. The experimental vibrational frequencies and IR intensities of POZ and SOZ will be compared and discussed with our high level theoretical predictions.

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Development of Combustion System for Solid Oxide Fuel Cell System (고체산화물 연료전지용 예혼합 연소시스템 개발)

  • Jo, Soonhye;Lee, Pilhyong;Cha, Chunloon;Hong, Seongweon;Hwang, Sangsoon
    • 한국신재생에너지학회:학술대회논문집
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    • 2011.05a
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    • pp.96.1-96.1
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    • 2011
  • Solid oxide fuel cells(SOFCs) can convert the chemical energy of fuel into electricity directly. With the rising fuel prices and stricter emission requirement, SOFCs have been widely recognized as a promising technology in the near future. In this study, lean premixed flame using the orifice swirl burner was analyzed numerically and experimentally. We used the program CHEMKIN and the GRI 3.0 chemical reaction mechanism for the calculation of burning velocity and adiabatic flame temperature to investigate the effects of equivalence ratio on the adiabatic flame temperature and burning velocity respectively. Burning velocity of hydrogen was calculated by CHEMKIN simulation was 325cm/s, which was faster than that of methane having 42 cm/s at the same equivalence ratio. Also Ansys Fluent was used so as to analysis the performance with alteration of swirl structure and orifice mixer structure. This experimental study focused on stability and emission characteristics and the influence of swirl and orifice mixer in Solid Oxide Fuel Cell Systme burner. The results show that the stable blue flame with different equivalence ratio. NOx was measured below 20 ppm from equivalence ratios 0.72 to 0.84 and CO which is a very important emission index in combustor was observed below 160 ppm under the same equivalence region.

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Screening from the Genome Databases: Novel Epoxide Hydrolase from Caulobacter crescentus

  • HWANG SEUNGHA;HYUN HYEJIN;LEE BYOUNGJU;PARK YOUNGSEUB;CHOI CHAYONG;HAN JIN;JOO HYUN
    • Journal of Microbiology and Biotechnology
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    • v.16 no.1
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    • pp.32-36
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    • 2006
  • The genome sequences from several microbes have led to the discovery of numerous open reading frames of unknown functionality. The putative bacterial epoxide hydrolase (EH) genes selected from the genome databases were examined for their activities toward various epoxides. Among the nine open reading frames (ORFs) from four microbial species, the ORF from Caulobacter crescentus showed an epoxide hydrolase activity. The kinetic resolution, using C. crescentus EH (CCEH) of the aryl epoxides such as styrene oxide, could be performed more efficiently than short aliphatic epoxides. The resolution of racemic indene oxide, which could previously be resolved only by fungal epoxide hydrolases, was effectively accomplished by CCEH.

Inhibition of Nitric Oxide Production from lipopolysaccharide-Treated RAW 264.7 Cells by Synthetic Flavones:Structure-Activity Relationship and Action Mechanism

  • Kim, Soo-Jin;Park, Hae-Il;Kim, Hyun-Pyo
    • Archives of Pharmacal Research
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    • v.27 no.9
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    • pp.937-943
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    • 2004
  • Recent investigations have shown that certain flavonoids, especially flavone derivatives, inhibit nitric oxide (NO) production by inducible NO synthase (iNOS) in macrophages, which contrib-ute their anti-inflammatory action. For the purpose of finding the optimized chemical structures of flavonoids that inhibit NO production, various A- and B-ring substituted flavones were syn-thesized and evaluated for their inhibitory activity using lipopolysaccharide-treated RAW 264.7 cells. It was found that the optimal chemical structures were A-ring 5,7-dihydroxyflavones hav-ing the B-ring 2',3'-dihydroxy or 3',4'-dihydroxy or 3',4'-hydroxy/methoxy (methoxy/hydroxy) groups. These structurally optimized compounds were revealed to be down-regulators of iNOS induction, but not direct iNOS inhibitors. Of these derivatives that were evaluated, 2',3',5,7-tet-rahydroxyflavone and 3',4',5,7-tetrahydroxyflavone (Iuteolin) showed the strongest inhibition. The $IC_{50}$/ values for these compounds were 19.7 and 17.1 11M, respectively. Therefore, these compounds may have a potential as new anti-inflammatory agents.

Flexible and Transparent Plastic Electrodes Composed of Reduced Graphene Oxide/Polyaniline Films for Supercapacitor Application

  • Sarker, Ashis K.;Hong, Jong-Dal
    • Bulletin of the Korean Chemical Society
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    • v.35 no.6
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    • pp.1799-1805
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    • 2014
  • In this article, we described about the preparation and electrochemical properties of a flexible energy storage system based on a plastic polyethylene terephthalate (PET) substrate. The PET treated with UV/ozone was fabricated with multilayer films composed of 30 polyaniline (PANi)/graphene oxide (GO) bilayers using layer-by-layer assembly of positively charged PANi and negatively charged GO. The conversion of GO to the reduced graphene oxide (RGO) in the multilayer film was achieved using hydroiodic acid vapor at $100^{\circ}C$, whereby PANi structure remained nearly unchanged except a little reduction of doping state. Cyclic voltammetry and charge/discharge curves of 30 PANi/RGO bilayers on PET substrate (shorten to PANi-$RGO_{30}$/PET) exhibited an excellent volumetric capacitance, good cycling stability, and rapid charge/discharge rates despite no use of any metal current collectors. The specific capacitance from charge/discharge curve of the PANi-$RGO_{30}$/PET electrode was found to be $529F/cm^3$ at a current density of $3A/cm^3$, which is one of the best values yet achieved among carbon-based materials including conducting polymers. Furthermore, the intrinsic electrical resistance of the PANi-$RGO_{30}$/PET electrodes varied within 20% range during 200 bending cycles at a fixed bend radius of 2.2 mm, indicating the increase in their flexibility by a factor of 225 compared with the ITO/PET electrode.

Supercapacitive Properties of a Hybrid Capacitor Consisting of Co-Mn Oxide Cathode and Activated Carbon Anode (코발트망간 산화물 양전극과 활성탄 음전극으로 구성된 초고용량 커패시터 특성)

  • Kim, Yong Il;Yoon, Je Kook;Kown, Je Sung;Ko, Jang Myoun
    • Korean Chemical Engineering Research
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    • v.48 no.4
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    • pp.440-443
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    • 2010
  • A hybrid supercapacitor consisting of Co-Mn oxide as a cathode, activated carbon as an anode, and 6 M KOH as a electrolyte was fabricated and its supercapacitor performance was investigated by means of cyclic voltammetry. The prepared supercapacitor showed the specific capacitance of 67.3 F/g, energy density of 18.3 Wh/kg, and power density of 237.7 kW/kg, respectively. It means that the supercapacitor can be used for the practical applications.

Characteristic of Oxide CMP with the Various Temperatures of Silica Slurry (실리카 슬러리의 온도 변화에 따른 산화막의 CMP 특성)

  • Ko, Pil-Ju;Park, Sung-Woo;Kim, Nam-Hoon;Seo, Yong-Jin;Chang, Eui-Goo;Lee, Woo-Sun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2004.11a
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    • pp.707-710
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    • 2004
  • Chemical mechanical polishing (CMP) process has been widely used to planarize dielectric layers, which can be applied to the integrated circuits for sub-micron technology. Despite the increased use of CMP process, it is difficult to accomplish the global planarization of in the defect-free inter-level dielectrics (ILD). In this paper, we have investigated slurry properties and CMP performance of silicon dioxide (oxide) as a function of different temperature of slurry. Thermal effects on the silica slurry properties such as pH, particle size, conductivity and zeta potential were studied. Moreover, the relationship between the removal rate (RR) with WIWNU and slurry properties caused by changes of temperature were investigated. Therefore, the understanding of these temperature effects provides a foundation to optimize an oxide CMP Process for ULSI multi-level interconnection technology.

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Promotors in Copper-Chromium Oxide Catalyst for Furfural Hydrogenation (Furfural 수소화반응에서 구리-크롬산화물 촉매에 대한 첨가제의 효과)

  • Chon Hakze;Seo, Gon
    • Journal of the Korean Chemical Society
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    • v.23 no.3
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    • pp.152-160
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    • 1979
  • The promoting effect of Ba or Sr addition was investigated for furfural hydrogenation reaction over copper-chromium oxide catalysts. X-ray diffraction patterns showed the appearance of $BaCrO_4$ and $SrCrO_4$ phases in Ba, and Sr promoted copper-chromium oxide catalysts. For both Ba and Sr promoted catalysts, the activity decline with reaction time was much smaller compared to that of unpromoted catalyst and copper-chromium oxide catalyst dispersed on silica, reproducible EPR signals of Cr(V) were observed when CO was adsorbed. The promoting effect of Ba addition can be interpreted in terms of active sites dispersion and stabilization.

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Performance Study of Membrane Capacitive Deionization (MCDI) Cell Constructed with Nafion and Aminated Polyphenylene Oxide (APPO) (Nafion과 Aminated Polyphenylene Oxide (APPO)를 적용한 막 축전식 탈염 공정의 성능 연구)

  • Kim, Ji Su;Rhim, Ji Won
    • Membrane Journal
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    • v.30 no.5
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    • pp.350-358
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    • 2020
  • A membrane capacitive deionization (MCDI) cell is constructed by applying thin layer of a cation exchange membrane (Nafion) on cathode and an anion exchange membrane (aminated polyphenylene oxide, APPO) on anode. Compared to CDI cell without CEM and AEM coating, MCDI exhibits enhanced salt removal efficiency. When Nafion and APPO are used as CEM and AEM, optimized salt removal performance as high as 82.1% is observed when 1.2 V is applied for 3 min during absorption process and -1.0 V is applied for 1 min during desorption.

Isolation and Characterization of a New Alkaloid from the Seed of Prunus persica L. and Its Anti-inflammatory Activity

  • Rho, Jung-Rae;Jun, Chang-Soo;Ha, Young-Ae;Yoo, Myung-Ja;Cui, Ming-Xun;Baek, Hwa-Seung;Lim, Jin-A;Lee, Young-Haeng;Chai, Kyu-Yun
    • Bulletin of the Korean Chemical Society
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    • v.28 no.8
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    • pp.1289-1293
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    • 2007
  • Persicaside has been isolated as a new alkaloid natural compound from a methanol (EtOA)-soluble extract of Prunus persica seed. It was purified by a combination of chromatographic techniques and recrystallization. The structure of Persicaside was determined by extensive NMR experiments and mass ppectroscopic data. It inhibited nitric oxide (NO) and prostaglandin E2 (PGE2) production via suppression of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2 expression in rat osteoblast sarcoma cells (ROS 17/2.8) in concentration-dependent manner whereas it spares the COX-1 enzyme activity.