• Title/Summary/Keyword: $CH{_5}^+$

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Virtual Screening, Docking and DFT Study of PRMT5

  • Subathra, S
    • Journal of Integrative Natural Science
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    • v.15 no.4
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    • pp.187-194
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    • 2022
  • Protein Arginine Methyltransferase 5 (PRMT5), a significant member of the PRMT family, is a promising anticancer target. In this study, novel small compounds that act against the PRMT5 target are found by combining virtual screening with ChEMBL database medicines and Density Functional Theory. The ChEMBL database compounds were screened to retrieve the hit molecules, which further subjected for DFT analysis. Finally we have evaluated that ChEMBL- approved drugs such as Lifitegrast, Abiraterone acetate and Solifenacin may be potential inhibitors for PRMT5.

A study for behavior analysis of rockfish (Sebastes inermis) corresponding to the LED light by image analysis (영상분석을 통한 LED 광원에 대한 볼락 (Sebastes inermis)의 행동 연구)

  • HEO, Gyeom;KIM, Min-Son;SHIN, Hyeon-Ok
    • Journal of the Korean Society of Fisheries and Ocean Technology
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    • v.52 no.2
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    • pp.96-102
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    • 2016
  • In order to establish the basic data for the active use of the LED light source in the aquaculture industry, the experiment about the behavior of rockfish (Sebastes inermis) corresponding to the LED light was conducted by image analysis. LED lights for the experiment were one red light (wave length: 622 nm; light power: 811 mW) and two green lights (wave length: 518 nm; light power: 648 mW, wave length: 518 nm; light power: 810 mW). Behavior of the rockfish was analyzed using a moving distance (MD5) for 5 minutes where MD5s during the period of feeding were 20.0 m, 19.6 m, 16.3 m and 20.5 m in the ch1, ch2, ch3 and ch4. At the sunrise, mean MD5 of the entire channel about right before and right after were 6.3 m and 8.2 m. At the sunrise, mean MD5s of the entire channel about right before and right after were 13.6 m and 12.0 m. In the ch1, ch2 and ch3, mean MD5s during the period of 24 hours were 13.2 m, 9.6 m and 6.8 m at experiment 1and 5.2 m, 3.8 m and 2.9 m in the experiment 2.

Syntheses and Reactions of Iridium Complexes Containing Mixed Phosphine-Olefin Ligand: (3-(Diphenylphosphino)propyl)(3-butenyl)phenylphosphine

  • Young-ae W. Park;Devon W. Meek
    • Bulletin of the Korean Chemical Society
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    • v.16 no.6
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    • pp.524-528
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    • 1995
  • The reaction of [IrCl(cod)]2 with ppol ligand, Ph2PCH2CH2CH2P(Ph)CH2CH2CH=CH2, in ethanol gives an iridium complex, whose structure is converted from an ionic form, [Ir(cod)(ppol)]Cl·2C2H5OH (1),in polar solvents (ethanol, methanol and acetonitrile), to a molecular form, [IrCl(cod)(ppol)], in non-polar solvents (benzene and toluene). The cationic complexes, [Ir(cod)(ppol)]AsF6·1/2C2H5OH and [Ir(cod)(ppol)]PF6·1/2CH3CN, were prepared to compare with the ionic form by 31P NMR spectroscopy. When carbon monoxide is introduced to 1, cod is replaced by CO to give the 5-coordinated complex, [IrCl(CO)(ppol)]. Hydrogenation of 1-octene was not successful in the presence of 1. In order to verify the reason for 1 not behaving as a good catalyst for hydrogenation, electrophilic reactions with HCl, I2 and HBF4·etherate were performed, which yielded the oxidative addition product, [IrHCl2(ppol)], the substitution product, [IrI(cod)(ppol)], and another cationic product, [Ir(cod)(ppol)]BF4, respectively. Thus, the iridium complex is not sufficiently basic to activate hydrogen atoms or the olefin of the ppol ligand.

Hydrogeneted Amorphous Carbon Nitride Films on Si(100) Deposited by DC Saddle Field Plasma Enhanced Chemical Vapor Deposition ($N_2/CH_4$가스비에 따른 Hydrogenated Amorphous Carbon Nitride 박막의 특성)

  • 장홍규;김근식;황보상우;이연승;황정남;유영조;김효근
    • Journal of the Korean Vacuum Society
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    • v.7 no.3
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    • pp.242-247
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    • 1998
  • Hydrogenated amorphous carbon nitride[a-C:H(N)] films were deposited on p-type Si(100) at room temperature with bias voltage of 200 V by DC saddle-field plasma-enhanced chemical vapor deposition. Effects of the ratio of $N_2$ to $CH_4$($N_2/CH_4$), in the range of 0 and 4 on such properties as optical properties, microstucture, relative fraction of nitrogen and carbon, etc. of the films have been investigated. The thickness of the a-C:H(N) film was abruptly decreased with the addition of nitrogen, but at $N_2/CH_4$>0.5, the thickness of the film gradually decreased with the increase of the $N_2/CH_4$. The ratio of N to C(N/C) of the films was saturated at 0.25 with the increase of $N_2CH_4$. N-H, C≡N bonds of the films increased but C-H bond decreased with the increase of $N_2CH_4$.Optical band gap energy of the film decreased from 2.53 eV at the ratio of $N_2CH_4$=4.

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Tuning Behavior of (Cyclic Amines + Methane) Clathrate Hydrates and Their Application to Gas Storage (고리형 아민이 포함된 메탄 하이드레이트의 튜닝과 가스 저장 연구)

  • Ki Hun Park;Dong Hyun Kim;Minjun Cha
    • Korean Chemical Engineering Research
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    • v.61 no.3
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    • pp.394-400
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    • 2023
  • In this study, the tuning phenomena, gas storage capacity, and thermal expansion behaviors of binary (cyclopentylamine + CH4) and (cyclopropylamine + CH4) clathrate hydrates were investigated for the potential applications of clathrate hydrates to gas storage. To understand the tuning behaviors of binary (cyclopentylamine + CH4) and (cyclopropylamine + CH4) clathrate hydrates, 13C solid-state NMR spectroscopy was used, and the results confirmed that maximum tuning factors for the binary (cyclopentylamine + CH4) and (cyclopropylamine + CH4) clathrate hydrates were achieved at 0.5 mol% and 1.0 mol% of guest concentration, respectively. The gas storage capacity of binary (cyclopentylamine + CH4) and (cyclopropylamine + CH4) clathrate hydrates were also checked, and the results showed the CH4 capacity of our hydrate systems was superior to that of binary (tetrahydrofuran + CH4) and (cyclopentane + CH4) clathrate hydrates. The synchrotron diffraction patterns of these hydrates collected at 100, 150, 200, and 250 K confirmed the formation of a cubic Fd-3m hydrate. In addition, the lattice constant of clathrate hydrates with cyclopentylamine and methane were larger than that with cyclopropylamine and methane due to the effects of molecular size and shape.

Gas Sensing Characteristics of SnO2 Coated with Catalyst for Hydrocarbon Gas (촉매가 첨가된 SnO2 가스센서의 탄화수소 가스에 대한 감응 특성)

  • Lee, Ji-Young;Yu, Il
    • Korean Journal of Materials Research
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    • v.22 no.7
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    • pp.358-361
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    • 2012
  • Co and Ni as catalysts in $SnO_2$ sensors to improve the sensitivity for $CH_4$ gas and $CH_3CH_2CH_3$ gas were coated by a solution reduction method. $SnO_2$ thick films were prepared by a screen-printing method onto $Al_2O_3$ substrates with an electrode. The sensing characteristics were investigated by measuring the electrical resistance of each sensor in a chamber. The structural properties of $SnO_2$ with a rutile structure investigated by XRD showed a (110) dominant $SnO_2$ peak. The particle size of the $SnO_2$:Ni powders with Ni at 6 wt% was about 0.1 ${\mu}m$. The $SnO_2$ particles were found to contain many pores according to a SEM analysis. The sensitivity of $SnO_2$-based sensors was measured for 5 ppm of $CH_4$ gas and $CH_3CH_2CH_3$ gas at room temperature by comparing the resistance in air to that in the target gases. The results showed that the best sensitivity of $SnO_2$:Ni and $SnO_2$:Co sensors for $CH_4$ gas and $CH_3CH_2CH_3$ gas at room temperature was observed in $SnO_2$:Ni sensors coated with 6 wt% Ni. The $SnO_2$:Ni gas sensors showed good selectivity to $CH_4$ gas. The response time and recovery time of the $SnO_2$:Ni gas sensors for the $CH_4$ and $CH_3CH_2CH_3$ gases were 20 seconds and 9 seconds, respectively.

Hydrocarbon Gas Permeation Characteristics of PTMSP/LDH Composite Membranes (PTMSP/LDH 복합막의 탄화수소 기체투과 특성)

  • Jeong, Yeon-Eim;Lee, Hyun-Kyung
    • Membrane Journal
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    • v.24 no.6
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    • pp.423-430
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    • 2014
  • PTMSP/LDH composite membranes were prepared by adding 0, 1, 3, and 5 wt% LDH contents to PTMSP. The gas permeability and selectivity for $H_2$, $N_2$, $CH_4$, $C_3H_8$, $n-C_4H_{10}$ were investigated as a function of LDH content. As LDH content of PTMSP/LDH composite membranes increased to 5 wt%, the gas permeability for $H_2$ and $N_2$ gradually decreased, while $n-C_4H_{10}$ permeability rapidly increased. The gas permeability for $CH_4$ and $C_3H_8$ was found to decrease for the membranes with LDH content range of 0~3 wt%, however increase in the range of 3~5 wt%. As LDH content of PTMSP/LDH composite membranes increased to 5 wt%, the selectivity of membranes gradually increased for $H_2$, $N_2$, $CH_4$, $C_3H_8$, $n-C_4H_{10}$ over $H_2$, $N_2$. However the selectivity for $C_3H_8$ and $n-C_4H_{10}$ over $CH_4$ increased in the range of LDH content 0~3 wt% but decreased in the range of 3~5 wt%. The $CH_4$ and $n-C_4H_{10}$ selectivity over $H_2$ and $N_2$ increased as $CH_4$ and $n-C_4H_{10}$ permeability increased. The $n-C_4H_{10}$ selectivity over $CH_4$ increased with increasing $n-C_4H_{10}$ permeability up to 182,000 barrer and decreased above 182,000 barrer of $n-C_4H_{10}$ permeability. The $C_3H_8$ selectivity over $H_2$ and $N_2$ was found to decrease as the $C_3H_8$ permeability increased from 46,000 to 50,000 barrer, but to increase with increasing permeability from 50,000 to 52,300 barrer and decrease again with increasing permeability from 52,300 to 60,000 barrer. The $C_3H_8$ selectivity over $CH_4$ was found to decrease with increasing $C_3H_8$ permeability up to 52,300 barrer but increase above 52,300 barrer.

Synthesis and Characterization of heteroleptic Iridium Complex with Phenylpyridine and 5'-methyl-diphenylquinoline

  • Lee, Seung-Chan;Kim, Young-Sik
    • 한국정보디스플레이학회:학술대회논문집
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    • 2007.08a
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    • pp.702-705
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    • 2007
  • New heteroleptic tris-cyclometalated iridium complex, $Ir(ppy)_2(dpq-5CH_3)$, was prepared, where ppy and $dpq-5CH_3$ represent phenylpyridine and 2(5'-methyl)- 4-diphenylquinoline, respectively. The heteroleptic iridium complex shows high luminescence efficiency by the intramolecular energy transfer from the energy absorbing ppy ligands to the luminescent $dpq-5CH_3$ ligand leading to a decrease on quenching or energy deactivation.

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Synthesis and Characterization of Molybdenum(V)-Oxo Complexes with ONO-Donors

  • Kim, Jeong Suk;Kim, Hui Jeong;Gu, Bon Gwon
    • Bulletin of the Korean Chemical Society
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    • v.16 no.1
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    • pp.26-29
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    • 1995
  • Six-coordinate molybdenum(Ⅴ)-oxo complexes (PyH)[MoOCl2L] and (R4N)-[MoOCl2L] (R=CH3 and C2H5) with N-salicylidene-2-aminophenol(L1) and its derivatives(L2=5-CH3, L3=3-CH3O, L4=5,6-C4H4 and L5=5-NO2) as ONO-donor ligands have been synthesized and the spectral and electrochemical properties of the complexes by elemental analysis, molar conductivity, UV-vis, IR, 1H NMR and CV have been studied.