• 제목/요약/키워드: proton reaction

검색결과 297건 처리시간 0.024초

수전해용 MoPA 결합된 폴리에테르 에테르 케톤 고분자 복합막의 개발 및 특성 (Development and Charateriztion of Molybdophosphoric Acid Bonded Polyether Ether Ketone Polymer Composite Membrane for Water Electrolysis)

  • 김민진;김보영;문상봉;정장훈
    • 한국수소및신에너지학회논문집
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    • 제28권4호
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    • pp.338-344
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    • 2017
  • Polyoxometal molybdophosphoric acid (MoPA) bonded polyether ether ketone (PEEK) composite membrane for water electrolysis has been investigated. The composited membrane, covalently cross linked (CL) sulfonated polyether ether ketone (SPEEK) with a bonded MoPA, was prepared in sulfonation of PEEK, cross linkage reaction with 1,4-diiodobutane, and addition with MoPA. PEEK was covalently cross-linked with 1,4-diiodobutane to improve mechanical strength and was added with MoPA to increase proton conductivity. MoPA should be fixed to back bone of SPEEK to prevent bleeding out. Therefore, the carbonyl group of SPEEK was reduced with NaBH4 and 3-isocyanatepropyltriethoxysilane (ICPTES) was added. The MoPA bonded composite was produced in the reaction of MoPA with 3-mercaptopropyltrimethoxvsilane (MPTMS). In conclusion, MoPA bonded CL-SPEEK composite membrane featured 0.129 S/cm of proton conductivity at $80^{\circ}C$, and 2,156 hours of chemical stability in Fenton test. These properties are better than those of membranes of other SPEEK system.

DFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Magnolol Derivatives in the Gas-Phase and Water

  • Najafi, Meysam;Najafi, Mohammad;Najafi, Houshang
    • Bulletin of the Korean Chemical Society
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    • 제33권11호
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    • pp.3607-3617
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    • 2012
  • In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

옥수수 유식물 조직에서 분리한 막 단백질과 Phosphatidylcholine의 재조합 (Reconstitution of Membrane Proteins from Corn Seedlings with Phosphatidylcholine)

  • 오승은
    • Journal of Plant Biology
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    • 제33권4호
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    • pp.321-323
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    • 1990
  • Membrane proteins isolated from the coleoptile and mesocotyl tissues of corn seedlings were solubilized with Triton X100 and reconstituted with phosphatidylcholine at 2$0^{\circ}C$. The proteoliposomes were incubated and proton uptake into the vesicles was measured with a spectrophotometer. Addition of ATP to the reaction mixture was found to result in an active accumulation of proton into the vesicles. These results indicate that the preparation contains tightly bound phosphatidylcholine vesicles with reconstituted H+ -ATPase from the plant cell membranes.

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The Possible Reagents for a Cancer Diagnosis by a Urine Color Reaction

  • Kim, Yong-Jin;Yoon, Dong-Jun
    • 대한의용생체공학회:의공학회지
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    • 제8권2호
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    • pp.145-150
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    • 1987
  • Urine NMR analyses made by use of an 80 MHz proton NMR spectrometer show that aromatic proton NMR signals appear in most censer patients'urine. On the assumption that the signals may be caused by the phenolic compound of tyrosine excreted in the urine, a jellied reagent is used for identifying them by observing the urine color reaction. It is observed that the reagent reacted to the cancer urine becomes red. Such a change of the urine color seems to indicate the substance of tyrosine. Recently an attempt to determine the reagent sensitivity an specificity of the urine of 69 persons including cancer and noncancer patients has been made. The results of the attempt are respectively 85.3% for sensitivity and 91.4% for specificity. This seems to show a possibility that the reagent can be used for the diagnosis.

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Calculation of Proton-Induced Reactions on Ti, Fe, Cu and Mo up to 60 MeV for TLA Application

  • Kim, Doohwan;Lee, Young-Ouk;Jonghwa Chang
    • Nuclear Engineering and Technology
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    • 제31권6호
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    • pp.595-607
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    • 1999
  • The reaction cross-sections of $^{nat}$Ti(p,X)$^{48}$ V, $^{nat}$Fe(p,X)$^{56}$ Co, $^{nat}$Cu(p,X)$^{65}$ Zn and $^{nat}$Mo(p,X)$^{96}$ Tc for TLA application are calculated in the frame of the ECIS-GNASH code system up to 60 MeV. The calculated results are compared with the experimental data taken from the EXFOR at the NEA Data Bank. A preliminary calculation with the global optical parameters of Varner et al. shows considerable differences from the experimental data at low energy range. The global optical parameters for the imaginary volume potential and the diffuseness of the imaginary potential are adjusted to achieve a better description of the experimental data in the vicinities of peak position below 16 MeV. 16 MeV.

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Theoretical Studies of Hydrogen Bond Interactions in Fluoroacetic Acid Dimer

  • Chermahini, Alireza Najafi;Mahdavian, Mohsen;Teimouri, Abbas
    • Bulletin of the Korean Chemical Society
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    • 제31권4호
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    • pp.941-948
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    • 2010
  • Ab initio and density functional theory methods have been employed to study all theoretically possible conformers of fluoroacetic acid. Molecular geometries and energetic of cis and trans monomers and cis dimers in gaseous phase have been obtained using HF, B3LYP and MP2 levels of theory, implementing 6-311++G(d,p) basis set. It was found that cis rotamers are more stable. In addition, it was found that in comparison with acetic acid the strength of hydrogen bonding in fluoroacetic acid decreased. The infrared spectrum frequencies and the vibrational frequency shifts are reported. Natural population and atom in molecule analysis performed to predict electrostatic interactions in the cyclic H-bonded complexes and charges. The proton transfer reaction is studied and activation energy is compared with acetic acid proton transfer reaction.

Theoretical study of cross sections of proton-induced reactions on cobalt

  • Yigit, Mustafa
    • Nuclear Engineering and Technology
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    • 제50권3호
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    • pp.411-415
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    • 2018
  • Nuclear fusion may be among the strongest sustainable ways to replace fossil fuels because it does not contribute to acid rain or global warming. In this context, activated cobalt materials in corrosion products for fusion energy are significant in determination of dose levels during maintenance after a coolant leak in a nuclear fusion reactor. Therefore, cross-section studies on cobalt material are very important for fusion reactor design. In this article, the excitation functions of some nuclear reaction channels induced by proton particles on $^{59}Co$ structural material were predicted using different models. The nuclear level densities were calculated using different choices of available level density models in ALICE/ASH code. Finally, the newly calculated cross sections for the investigated nuclear reactions are compared with the experimental values and TENDL data based on TALYS nuclear code.