• Title/Summary/Keyword: proton reaction

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

  • KIM, MIN JIN;KIM, BO YOUNG;MOON, SANG-BONG;CHUNG, JANG HOON
    • Journal of Hydrogen and New Energy
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    • v.28 no.4
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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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    • v.33 no.11
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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 ($E_{HOMO}$).

The association of changes in RAD51 and survivin expression levels with the proton beam sensitivity of Capan-1 and Panc-1 human pancreatic cancer cells

  • MIN‑GU LEE;KYU‑SHIK LEE;KYUNG‑SOO NAM
    • International Journal of Oncology
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    • v.54 no.2
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    • pp.744-752
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    • 2019
  • Fewer than 20% of patients diagnosed with pancreatic cancer can be treated with surgical resection. The effects of proton beam irradiation were evaluated on the cell viabilities in Panc-1 and Capan-1 pancreatic cancer cells. The cells were irradiated with proton beams at the center of Bragg peaks with a 6-cm width using a proton accelerator. Cell proliferation was assessed with the MTT assay, gene expression was analyzed with semi-quantitative or quantitative reverse transcription-polymerase chain reaction analyses and protein expression was evaluated by western blotting. The results demonstrated that Capan-1 cells had lower cell viability than Panc-1 cells at 72 h after proton beam irradiation. Furthermore, the cleaved poly (ADP-ribose) polymerase protein level was increased by irradiation in Capan-1 cells, but not in Panc-1 cells. Additionally, it was determined that histone H2AX phosphorylation in the two cell lines was increased by irradiation. Although a 16 Gy proton beam was only slightly up-regulated cyclin-dependent kinase inhibitor 1 (p21) protein expression in Capan-1 cells, p21 expression levels in Capan-1 and Panc-1 cells were significantly increased at 72 h after irradiation. Furthermore, it was observed that the expression of DNA repair protein RAD51 homolog 1 (RAD51), a homogenous repair enzyme, was decreased in what appeared to be a dose-dependent manner by irradiation in Capan-1 cells. Contrastingly, the transcription of survivin in Panc-1 was significantly enhanced. The results suggest that RAD51 and survivin are potent markers that determine the therapeutic efficacy of proton beam therapy in patients with pancreatic cancer.

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

  • 오승은
    • Journal of Plant Biology
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    • v.33 no.4
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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
    • Journal of Biomedical Engineering Research
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    • v.8 no.2
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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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    • v.31 no.6
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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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    • v.31 no.4
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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.