• Title/Summary/Keyword: $CH{_5}^+$

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Quasi-classical Trajectory Calculation of the Chemical Reactions Ba+C6H5Br, m-C6H4CH3Br

  • Xia, Wenwen;Liu, Yonglu;Zhong, Haiyang;Yao, Li
    • Bulletin of the Korean Chemical Society
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    • v.33 no.2
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    • pp.589-596
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    • 2012
  • In this paper, the reactive dynamics properties of the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ were studied by means of the quasi-classical trajectory method based on the London-Eyring-Polanyi-Sato potential energy surfaces. The vibrational distributions, reaction cross sections, rotational alignments of the products BaBr all were obtained. The peak values of the vibrational distributions are located at $\nu$ = 0 for the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ when the collision energies are 1.09 and 1.10 eV, respectively. The reaction cross sections increase with the increasing collision energy, which changes from 0.6 to 1.5 eV. The product rotational alignments deviate from -0.5 and firstly increase and then decrease while the collision energy is increasing, just like that of Heavy+Light-Light system.

Composite Gas Measurement System using NDIR Method (NDIR 방법을 이용한 복합 가스 측정 시스템)

  • Eo, Ik-soo
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.3
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    • pp.624-629
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    • 2018
  • The current study was conducted to develop a portable composite gas detector allowing the detection of both $CO_2$ and $CH_4$ gases by means of the Non Dispersive Infra-Red (NDIR) method. The gas detector is configured to radiate infrared waves using infrared lamps, where the wavelength of the infrared light is reduced due to absorption throughout the chamber, and this reduction (absorption) is detected by the absorption detector, before being converted and amplified to a 3.5V~6V electrical signal, providing as accurate a measurement as possible. The conventional singe sensor method measures the relative measurement by absorbing only specified wavelengths of infrared radiation, which in the case of gas detection leads to problems with accuracy due to the lack of a reference sensor when detecting light with a wavelength of only $4.26{\mu}m$. The dual sensor employed in this study provides a comparative measurement between the reference value derived from the wavelength of $3.91{\mu}m$, which is not influenced by other gas sources, and the measurement value derived from the wavelength of $4.26{\mu}m$, in order to reduce the errors and enhance the reliability, thereby allowing low power consumption for portable devices and multi-gas detection for both $CO_2$ and $CH_4$ gases. The portable composite gas detector developed herein provides a measurement rage of 0ppm~5,000ppm for $CO_2$ gas, and 0.5%vol for $CH_4$, which allows the determination of whether the $CO_2$ and $CH_4$ contents in indoor air are less than 1,000ppm or not. The current study established that the composite gas detector can be interlinked with firefighting appliances through portable devices or home automation, and is anticipated to be very effective in fire prevention.

Biogas Production from Sewage Sludge in 30L Microbial Electrolysis Cell (30L 미생물전기분해전지의 하수슬러지로부터 바이오가스 생산 특성)

  • Lee, Myoung-Eun;Ahn, Yongtae;Shin, Seung Gu;Seo, Sun-Chul;Chung, Jae Woo
    • Journal of the Korea Organic Resources Recycling Association
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    • v.27 no.4
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    • pp.25-33
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    • 2019
  • Operating characteristics of a 30 L microbial electrolysis cell (MEC) for producing biogas from sewage sludge was studied. During the 32-day inoculation period, carbon dioxide concentration decreased and methane concentration increased with operating time, and the overall methane content of biogas was 69.1% with a production rate of 171.6 mL CH4/L·d. In fed-batch experiments for 6 operating cycles, CH4 concentration of 66.5~77.2% was obtained at a production rate of 184.9~372.9 mL CH4/L·d, COD, TS and VS removal efficiency ranged from 28.2 to 42.1%, 20.7 to 37.5% and 18.5 to 36.9%, respectively. The MEC system was observed to be stabilized as operating cycles were repeated after inoculation. In the last operating cycle, 5221 mL/L of methane was produced with CH4 yield of 316.7 L CH4/kg CODrem, and the energy recovery was 73%.

Kinetic Investigation of CO2 Reforming of CH4 over Ni Catalyst Deposited on Silicon Wafer Using Photoacoustic Spectroscopy

  • Yang, Jin-Hyuck;Kim, Ji-Woong;Cho, Young-Gil;Ju, Hong-Lyoul;Lee, Sung-Han;Choi, Joong-Gill
    • Bulletin of the Korean Chemical Society
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    • v.31 no.5
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    • pp.1295-1300
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    • 2010
  • The $CO_2-CH_4$ reaction catalyzed by Ni/silicon wafers was kinetically studied by using a photoacoustic technique. The catalytic reaction was performed at various partial pressures of $CO_2$ and $CH_4$ (50 Torr total pressure of $CO_2/CH_4/N_2$) in the temperature range of 500 - $650^{\circ}C$ in a static reactor system. The photoacoustic signal that varied with the $CO_2$ concentration during the catalytic reaction was recorded as a function of time. Under the reaction conditions, the $CO_2$ photoacoustic measurements showed the as-prepared Ni thin film sample to be inactive for the reaction, while the $CO_2/CH_4$ reactions carried out in the presence of the sample pre-treated in $H_2$ at $600^{\circ}C$ were associated with significant time-dependent changes in the $CO_2$ photoacoustic signal. The rate of $CO_2$ disappearance was measured from the $CO_2$ photoacoustic signal data in the early reaction period of 50 - 150 sec to obtain precise kinetic data. The apparent activation energy for $CO_2$ consumption was determined to be 6.9 kcal/mol from the $CO_2$ disappearance rates. The partial reaction orders, determined from the $CO_2$ disappearance rates measured at various $PCO{_2}'S$ and $PCH{_4}'S$ at $600^{\circ}C$, were determined to be 0.33 for $CH_4$ and 0.63 for $CO_2$, respectively. Kinetic data obtained in these measurements were compared with previous works and were discussed to construct a catalytic reaction mechanism for the $CO_2-CH_4$ reaction over Ni/silicon wafer at low pressures.

Development of Cholinesterase Inhibitors using 1-Benzyl Piperidin-4-yl (α)-Lipoic Amide Molecules

  • Lee, Seung-Hwan;Kim, Beom-Cheol;Kim, Jae-Kwan;Lee, Hye Sook;Shon, Min Young;Park, Jeong Ho
    • Bulletin of the Korean Chemical Society
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    • v.35 no.6
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    • pp.1681-1686
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    • 2014
  • A series of hybrid molecules between (${\alpha}$)-lipoic acid (ALA) and 4-amino-1-benzyl piperidines were synthesized and their in vitro cholinesterase (acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE)) inhibitory activities were evaluated. Even though the parent compounds did not exhibit any inhibitory activity against cholinesterase (ChE) with the exception of compound 14 ($IC_{50}=255.26{\pm}4.41$ against BuChE), all hybrid molecules demonstrated BuChE inhibitory activity. Some hybrid compounds also displayed AChE inhibitory activity. Specifically, compound 17 was shown to be an effective inhibitor against both AChE ($IC_{50}=1.75{\pm}0.30{\mu}M$) and BuChE ($IC_{50}=5.61{\pm}1.25{\mu}M$) comparable to galantamine ($IC_{50}=1.7{\pm}0.9{\mu}M$ against AChE and $IC_{50}=9.4{\pm}2.5{\mu}M$ against BuChE). Inhibition kinetic studies using compound 17 indicated a mixed inhibition type for AChE and a noncompetitive inhibition type for BuChE. Its binding affinity ($K_i$) values to AChE and BuChE were $3.8{\pm}0.005{\mu}M$ and $7.0{\pm}0.04{\mu}M$, respectively.

Comparative Activities of CH2150 and Sulbactam as ${\beta}$-Lactamase Inhibitors Against Escherichia coli and Staphylococcus Aureus Resistant to Ampicillin/Sulbactam (암피실린/설박탐에 내성을 갖는 대장균과 포도상구균에 대한 베타-락타메이즈 억제제 CH2150과 설박탐의 항균효과 비교)

  • Park, Su-Hyun;Kim, Hong-Jin;Kim, Ki-Ho
    • YAKHAK HOEJI
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    • v.41 no.1
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    • pp.126-131
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    • 1997
  • To overcome the problems of the resistance to clavulanic acid, many researchers are developing novel inhibitors that are not sensitive to new mutant ${\beta}$-lactamases. In order to evaluate newly synthesized compound CH2150 (Sodium (3S.5R)-6(Z)-[1-{1-(2-{2-benzoxazoly}thioethyl)-l.2,3-txiazol-4-yl}methylene] penicillanate-1,1-dioxide) as a ${\beta}$-lactamase inhibitor, we examined inhibitory activity of CH2150 against ${\beta}$-lactamases of clinical isolates resistant to ampicillin/sulbactam(12 strains of Escherichia coli and 13 strains of Staphylococcus aureus), and compared with that of sulbactam. Nitrocefin was used as substrate for ${\beta}$-lactamases, and the increase of absorbance was measured spectrophotometerically at 482 nm. ${\beta}$-Lactarnase inhibition of CH2150 against ${\beta}$-lactamases was 73 ~ 96% in E. coli and 76 ~ 79% in S. aureus. Comparatively, that of sulbactam was 96 ~ 100% and 96 ~ 100%, respectively. The inhibitory activity of CH2150 was slightly lower than that of sulbactam. The MIC values of ampicillin combined with CH2150 (2:1) for the clinical isolates were 4~512 ${\mu}$g/ml for E. coli and 1.0 ~ 64 ${\mu}$g/ml for S. aureus, whereas 0.5~16 ${\mu}$g/ml for E. coli and 0.25~8 ${\mu}$g/ml for S. aureus when combined with sulbactam (2:1).

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Kinetics on the Reaction of 1-Adamantyl Fluoroformate with Substituted Pyridines (치환 피리딘류와 1-Adamantyl Fluoroformate의 반응에 대한 속도론적 연구)

  • Park, Byoung Chun;Park, Soo Hyun;Kyong, Jin Burm;Kim, Chang Bae
    • Journal of the Korean Chemical Society
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    • v.43 no.4
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    • pp.456-460
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    • 1999
  • Rates of 1-adamantyl fluoroformate with substituted pyridines ($3-CH_3,\;4-CH_3,\;H,\;3-Cl,\;3,4-(CH_3)_2,\;3,5-(CH_3)_2$) in methanol have been measured by conductometric method at various temperatures and concentrations. The activation parameters (${\Delta}H^{\neq},\;{\Delta}S^{\neq}$) and Hammett reaction constant (${\rho}$) or Bronsted coefficient (${\beta}$) were evaluated from rate constants. The activation entropies are large and negative, and the activation enthalpies are small and positive. The Hammett reaction constant (${\rho}$) and Bronsted coefficient (${\beta}$) values were -4.15 and 0.63, respectively. From the above results, it may be concluded that this reaction proceeds to a concerted displacement mechanism in methanol.

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Protective effect of Lycium barbarum leaf extracts on atopic dermatitis: in vitro and in vivo studies

  • Han Sol Lee;Eun Young Bae;Sun Yung Ly
    • Nutrition Research and Practice
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    • v.17 no.5
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    • pp.855-869
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    • 2023
  • BACKGROUND/OBJECTIVES: Atopic dermatitis (AD) is a chronic disease with an increasing incidence globally; therefore, there is a growing demand for natural compounds effective in treating dermatitis. In this study, the protective effects of Lycium barbarum leaves with and without chlorophyll (LLE and LLE[Ch-]) on AD were investigated in animal models of AD and HaCaT cells. Further, we investigated whether LLE and LLE(Ch-) show any differences in physiological activity. MATERIALS/METHODS: AD was induced by 2,4-dinitrochlorobenzene (DNCB) for three weeks, while NC/Nga mice were fed LLE or LLE(Ch-) extracts for 7 weeks. Serum immunoglobulin E (IgE) and cytokine (tumor necrosis factor [TNF]-α, interleukin [IL]-6, and IL-4) concentrations and the degree of DNA fragmentation in lymphocytes were examined. A histopathological examination (haematoxylin & eosin staining and blue spots of toluidine) of the dorsal skin of mice was performed. To elucidate the mechanism of action, the expression of the thymus and activation-regulated chemokine (TARC) and macrophage-derived chemokine (MDC) were measured in HaCaT cells. RESULTS: Serum IgE and cytokines (TNF-α and IL-6) levels as well as DNA fragmentation of lymphocytes were significantly decreased in AD-induced mice treated with LLE or LLE(Ch-) compared to those of the control group. The epidermal thickness of the dorsal skin and mast cell infiltration in the LLE group significantly reduced compared to that in the control group. The LLE extracts showed no cytotoxicity up to 1,000 ㎍/mL in HaCaT cells. LLE or LLE(Ch-)-treated group showed a reduction of TARC and MDC in TNF-α-and IFN-γ-stimulated HaCaT cells. CONCLUSIONS: These results suggest that LLE potentially improves inflammation by reducing the expression of chemokines that inhibit T helper 2 cell migration. LLE(Ch-) showed similar effects to LLE on blood levels of IgE, TNF-α and IL-6 and protein expression in HaCat cells, but the ultimate effect of skin improvement was not statistically significant. Therefore, both LLE and LLE(Ch-) can be used as functional materials to alleviate AD, but LLE(Ch-) appears to require more research to improve inflammation.

Synthesis and structure of ($C_6CH_2NH_3)_2CUCl_4and \;(NH_3C_6C_4C_2H_4C_6NH_3)CUCl_4$ (($C_6CH_2NH_3)_2CUCl_4와 \;(NH_3C_6C_4C_2H_4C_6NH_3)CUCl_4$의 합성과 구조)

  • 김지현;권석순;현준원;허영덕
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.14 no.4
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    • pp.135-139
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    • 2004
  • The layered organic-inorganic hybrid compounds($C_6H_5CH_2NH_3)_2CuCl_4$ and ($NH_3C_6/H_4C_2H_4_6/H_4NH_3)CuCl_4$ have been directly synthesized. From the X-ray diffraction data and the organic guest size, the orientation of the intercalated organic amine was determined. The inorganic sheets consist of $CuCl_4^{2-}$layers of comer-sharing octahedra copper chloride. The protonated organic amine was intercalated into the $CuCl_4^{2-}$layers with bilayer structure for ($C_6H_5CH_2NH_3)_2CuCl_4$ and monolayer structure for ($NH_3C_6/H_4C_2H_4_6/H_4NH_3)CuCl_4$.

Selective Butyrylcholinesterase Inhibitors Using Polyphenol-polyphenol Hybrid Molecules

  • Woo, Yeun-Ji;Lee, Bo-Hyun;Yeun, Go-Heum;Kim, Hyun-Ju;Won, Moo-Ho;Kim, Sang-Hern;Lee, Bong-Ho;Park, Jeong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.32 no.8
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    • pp.2593-2598
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    • 2011
  • Polyphenols (PPs) are known as antioxidant compounds having benign biological activities. In this paper, a series of hybrid molecules between the free or acetyl protected polyphenol compounds were synthesized and their in vitro antioxidant activity (DPPH assay) and cholinesterase [acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE)] inhibition activities were evaluated. As expected, free phenolic hybrid compounds (6 and 8) showed better antioxidant activity than acetyl protected hybrid compounds (5 and 7) from DPPH assay. But the contrast result was obtained from BuChE inhibition assay. Acetyl protected hybrid compounds (5 and 7) showed better inhibition activity for BuChE than free phenolic hybrid compounds (6 and 8). Specifically, 10 (AcFA-AcFA) were shown as an effective inhibitor of BuChE ($IC_{50}=2.3{\pm}0.3{\mu}M$) and also had a great selectivity for BuChE over AChE (more than 170 fold). Inhibition kinetic studies with acetyl protected compounds (5, 7, 9, and 10) indicated that 5, 7 and 10 are a hyperbolic mixed-type inhibition and 10 is a competitive inhibition type. The binding affinity (Ki) value of 10 to BuChE is $2.32{\pm}0.15{\mu}M$.