• Title/Summary/Keyword: 3CC reaction

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Theoretical Studies on Mechanism and Kinetics of the Hydrogen-Abstraction Reaction of CF3CH2CHO with OH Radicals

  • Ci, Cheng-Gang;Yu, Hong-Bo;Wan, Su-Qin;Liu, Jing-Yao;Sun, Chia-Chung
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1187-1194
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    • 2011
  • The hydrogen abstraction reaction of $CF_3CH_2CHO$ + OH has been studied theoretically by dual-level direct dynamics method. Two stable conformers, trans- and cis-$CF_3CH_2CHO$, have been located, and there are four distinct OH hydrogen-abstraction channels from t-$CF_3CH_2CHO$ and two channels from c-$CF_3CH_2CHO$. The required potential energy surface information for the kinetic calculation was obtained at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level. The rate constants, which were calculated using improved canonical transitionstate theory with small-curvature tunneling correction (ICVT/SCT) were fitted by a four-parameter Arrhenius equation. It is shown that the reaction proceeds predominantly via the H-abstraction from the -CHO group over the temperature range 200-2000 K. The calculated rate constants were in good agreement with the experimental data between 263 and 358 K.

EFFECT OF COMPOSITE GRAFT OF CALCIUM CARBONATE AND CALCIUM SULFATE ON THE PERIODONTAL REGENERATION OF 3-WALL INTRABONY DEFECTS OF ADULT DOGS (성견의 3면 골내낭에 calcium carbonate와 calcium sulfate의 혼합이식이 치주조직 치유에 미치는 영향)

  • Choi, Mi-Ryung;Cho, Kyoo-Sung;Chai, Jung-Kiu;Kim, Chong-Kwan
    • Journal of Periodontal and Implant Science
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    • v.24 no.3
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    • pp.633-648
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    • 1994
  • Synthetic bone graft materials have been used for the regeneration of periodontal tissue lost due to periodontal disease, but the limitations of these materials had prompted the use of composite grafts. Among those, a composite graft of calcium carbonate(CC) and calcium sulfate(CS) is one of those materials that has not been studied extensively. CC, which is extracted from a natural coral, is known to possess osteoconductive property. SC can play an adjunctive role in the regeneration of bone tissue, and has shown good resorbability and biocompatibility. This study was conducted in order to investigate the effects of CC and CS composite graft to the regeneration of bone in the intrabony defects of dogs. 3-wall intrabony defects ub size of $4mm{\times}4mm{\times}4mm$ were created in the alveolar bone in the premolar areas. Then those defects that were treated with root planning only were designated as control, while the experimental group 1 and 2 each received the CC and CS composite grafts in the ratio of 8 : 2 and 5 : 5 the animals were sacrificed after 8weeks and the specimens were histologically analyzed. The results were as follows ; 1. No inflammation or foreign body reaction were observed in all subjects. CS has not been seen due to complete resorption, and resorption pattern of CC was observed. 2. Significant differences(p<0.05) in new cementum formation were observed between control($1.42{\pm}0.64mm$) and experimental groups(group 1 ; $2.53{\pm}0.94mm$, group 2 ; $2.23{\pm}0.96mm$) but the difference between the two experimental groups was not significant. 3. Significant differences(p<0.01) in new bone formation were observed between control($0.59{\pm}0.55mm$) and experimental groups(group 1 ; $2.27{\pm}0.61mm$, group 2 ; $2.05{\pm}0.56mm$) but the difference between the two experimental groups was not significant. 4. The extent of apical epithelial migration has shown no significant difference between control($1.18{\pm}1.24mm$) and experimental groups(group 1 ; $0.51{\pm}0.54mm$, group 2 ; $0.73{\pm}0.70mm$). 5. The extent of bone formation was generally limited to the extent of cementum formation for all groups, and significant correlation was found in the amount of bone formation and cementum formation in experimental group 1.(Co.=0.86, p<0.01) These results suggest that the composite graft of CC and CS is biocomplatible and effective in the new bone and new cementum formations. In the case of 3-wall intrabony defects of dogs, the composite ratio of 8 : 2 and 5 : 5 had shown no significant differences in the healing.

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Poly-3,4-dihydroxybenzaldehyde Modified with 3,4-dihydroxybenzoic acid for Improvement of Electrochemical Activities

  • Cha Seong-Keuck
    • Journal of the Korean Electrochemical Society
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    • v.7 no.4
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    • pp.167-172
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    • 2004
  • 3,4-dihydroxybenzaldehyde(3,4-DHB) was oxidatively el electropolymerized on glassy carbon (GC) electrodes to prepare CC/p-3,4-DHB type electrodes, which were subsequently modified with 3,4-dihydroxybenzoic acid(3,4-DHBA) using 0.05M HCI as a catalyst. The esterification reactions were performed between -OH sites on the polymeric film surface of the p-3,4-DHB and the -COOH sites within the 3,4-DHBA molecules in solution. These reactions had a rate constant value of $1.1\times10^{-1}\;s^{-1}$ for the esterification step as obtained from the first-order rate constant in the solution. The electrochemical responses of the GC/p-3,4-DHB-3,4-DHBA electrodes exert an influence upon the buffer solution, its pH and applied potential ranges. The redox process of the electrode was more easily controlled by charge transfer kinetics than that of the CC/p-3,4-DHB. The modified electrodes had redox active sites that were 10 times more active than those present before modification. The electrical admittance of the modified electrodes was also three times higher than that of the unmodified electrodes. After being annealed in ethanol for 20 hrs the electrodes brought about a 3.3 times greater change of water molecules in the redox reaction. The modified electrodes are stable in the potential range of 0.4 to 0.55V.

Effects of Reactant Gas Flow Rates and Starvation on Phosphoric Acid Fuel Cell Performance (인산형 연료전지 발전성능에 미치는 반응기체 공급량 및 공급중단의 영향)

  • Song, Rak-Hyun;Kim, Chang-Soo;Choi, Byung-Woo;Choi, Soo-Hyun;Shin, Dong-Ryul
    • Proceedings of the KIEE Conference
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    • 1992.07b
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    • pp.662-665
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    • 1992
  • Effects of reactant gas flow rates and starvation on phosphoric acid fuel cell performance were studied. As the reactant gas flow rates increased, the cell performance increased and then the cell maintained constant performance. The optimum flow rates of hydrogen, oxygen and air under galvanostatic condition of 150 mA/$\textrm{cm}^2$ are found to be 3cc/min${\cdot}\textrm{cm}^2$, 4cc/min${\cdot}\textrm{cm}^2$, and 15cc/min${\cdot}\textrm{cm}^2$, respectively. Hydrogen and oxygen starvation resulted in voltage loss of about 5mV and 0-2mV, respectively. The voltage loss was independent of starvation time. These results were discussed from the point of view of electrochemical reaction of the cell.

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Relationship between Genetic Polymorphisms in MTHFR (C677T, A1298C and their Haplotypes) and the Incidence Of Breast Cancer among Jordanian Females - Case-Control Study

  • Awwad, Nemah;Yousef, Al-Motassem;Abuhaliema, Ali;Abdalla, Ihab;Yousef, Muhammad
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.12
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    • pp.5007-5011
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    • 2015
  • Background: Breast cancer is a major cause of morbidity and mortality in Jordan and worldwide. Abnormality of DNA methylation is a possible mechanism for the development of cancer. Methylenetetrahydrofolate reductase (MTHFR) is involved in DNA methylation. Our aim was to study the association between genetic polymorphisms of MTHFR at two sites (C677T and A1298C) and their haplotypes and the risk of breast cancer among Jordanian females. Materials and Methods: A case-control study involving 150 breast cancer cases and 150 controls was conducted. Controls were age-matched to cases. Polymerase chain reaction/restriction fragment length polymorphism (PCR-RFLP) technique and sequencing were conducted to determine the genotypes. Results: There was a significant difference in genotype frequency of C677T in the 41-60 year age category [cases: CC (37.4%), CT (49.5%) and TT (13.2%); controls: CC (56.3%), CT (35.6%) and TT (8%), p= 0.04; $OR_{TT\;vs.\;CC}$: 2.5, 95% CI: (0.9-6.9); $OR_{at\;least\;on\;T$: 2.1, 95%CI: (1.2-3.9)]. There was no significant difference in genotype frequency of A1298C between cases and controls [cases: AA (46.6%), AC (41.8%) and CC (11.6%); controls: AA (43%), AC (47.4%) and CC (9.6%); p= 0.6]. There was a significant difference of MTHFR genetic polymorphism haplotypes among breast cancer cases and controls [cases/control: CA: 38.3/45.4%; CC: 28.9/25.2%; TA: 29.2/21; TC: 3.6/8.3; p value= 0.01; $OR_{TA\;vs.\;CA}=1.6$; 95% CI (1.1-2.5); p= 0.02]. Conclusions: Genetic polymorphism of MTHFR C677T may modulate the risk of breast cancer especially in the 41-60 year age group. Additionally, TA haplotype amends the risk of breast cancer. Future studies with a larger sample size are needed to validate the role of MTHFR genetic polymorphisms in breast cancer.

Kinetics of Cl Atom Reactions. Anomaluous Fluorescence Behavior of Some Cl Atomic Transitions

  • Kwang-Yul Choo
    • Bulletin of the Korean Chemical Society
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    • v.1 no.1
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    • pp.1-4
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    • 1980
  • During the study of the kinetics of Cl atom reactions by atomic fluorescence method we observed anomalous fluorescence emission for some atomic transitions. Instead of usual decrease of the fluorescence intensity by adding substrate, 1363 A transition $(^2P^{\circ}_{3/2}{\to}^2P_{1/2})$ intensity increased by adding substrate. From the normally behaved fluorescence lines the absolute rate constant for the reaction, Cl + $CH_3Cl{\to}$, was found to be $4.2{\times}10^{-13}$ cc/molecule sec at $20^{\circ}C$.

Preparation of $Fe_{3-x}Mn_{x}O_4$ Films by the Ferrite Plating and its Magnetic Properties (Ferrite plating 방법에 의한 $Fe_{3-x}Mn_{x}O_4$ 박막 제작과 자기적 성질)

  • 하태욱;이정식
    • Journal of the Korean Magnetics Society
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    • v.6 no.3
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    • pp.145-150
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    • 1996
  • The magnetic thin films can be prepared without vacuum process and under the low temperature ( < $100^{\circ}C$) by ferrite plating. We have performed ferrite plating of $Fe_{3-x}Mn_{x}O_4(x=0.0~0.023)$ films on glass plate at $80^{\circ}C$. We got the film $9000\AA$ in thickness, having a mirror-like luster. The composition parameter, x, in the $Fe_{3-x}Mn_{x}O_4$ films is much smaller then the corresponding on, x', in the reaction solution(x/x'=O.04). The saturation magnetization($M_{s}$) of $Fe_{3}O_{4}$ ferrite film as measured by a VSM was $M_{s}$=480 emu/cc which agrees with $Fe_{3}O_{4}$ bulk samples.

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Biotransformation of Arylnitroso Compound by Mammalian 1,4-Benzoquinone Reductase (포유동물 1,4-벤조퀴논 환원효소에 의한 아릴니트로소 화합물의 생변환)

  • 김경순;신해용
    • Journal of Life Science
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    • v.12 no.3
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    • pp.281-287
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    • 2002
  • Quinone reductase was purified to homogeneity from bovine liver and the purified enzyme catalyzed the reduction of phenanthrenequinone as well as benzo- and naphthoquinones. The enzyme catalyzed the biotransformation of arylnitroso nitroso compound and the reaction product was identified by TLC, GC, CC-MS and NMR. The reaction was almost entirely inhibitable by Cibacron blue 3GA or dicumarol, potent inhibitors of mammalian quinone reductase.

Optimization of the Reaction Conditions for (R)-Phenyl-1,2-ethanediol Preparation by Recombinant Epoxide Hydrolase from Caulobacter crescentus (재조합 Caulobacter crescentus 에폭사이드 가수분해효소를 이용한 광학활성 Diol 제조 조건의 최적화)

  • Lee, Ok-Kyung;Kim, Hee-Sook
    • Microbiology and Biotechnology Letters
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    • v.35 no.4
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    • pp.285-291
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    • 2007
  • Enantioconvergent hydrolysis process for the preparation of chiral diol from racemic epoxides by using the recombinant Caulobacter crescentus epoxide hydrolase (CcEH) in Escherichia coli BL21 (DE3) was optimized. For the optimization, the effects of detergent, temperature and product inhibition on the enantiopurity and the yield of diol were investigated. (R)-phenyl-1,2-ethanediol with 92% enantiomeric excess and 56% yield from 20 mM racemic styrene oxide was obtained by using the recombinant CcEH at the optimal condition of $10^{\circ}C$ and the addition of 2% (w/v) Tween 80. At 50 mM racemic styrene oxide was used as a substrate, (R)-phenyl-1,2-ethanediol was obtained with 87% enantiomeric excess and 77% yield. Racemic phenyl-1,2-ethanediol, (R)-phenyl-1,2-ethanediol and (S)-phenyl-1,2-ethanediol dramatically inhibited the hydrolytic activity of the recombinant CcEH. These results suggested that another EH with the regioselectivity on ${\beta}$-position of (R)-enantiomer and without feedback inhibition by products would be needed as the partner EH of C. crescentus EH.

Performance of EDLC Electrodes Prepared by Post Treatments of Commercial Activated Carbon (상업용 활성탄의 후처리에 의하여 제조된 전기이중층 커패시터용 전극재의 특성)

  • Wu, Jing-Yu;Hong, Ik-Pyo;Kim, Myung-Soo
    • Journal of the Korean Applied Science and Technology
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    • v.30 no.2
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    • pp.362-370
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    • 2013
  • The coconut shell based activated carbon was applied for EDLC (electric double layer capacitor) electrode with the post treatments. The electrochemical properties were evaluated with a coin cell using the activated carbon as electrode. The initial gravimetric and volumetric capacitance of the coconut shell based activated carbon electrode s were 66 F/g and 39 F/cc, and these values decreased to 54 F/g and 32 F/cc after 100 cycles, respectively showing 82% of charge-discharge efficiency. The properties of CV graph with the commercial activated carbon electrodes showed the serious polarization as the result of additional reaction between electrolyte and impurities of the electrode materials. In order to remove impurities efficiently, the commercial activated carbon was treated by alkali and acid solutions consecutively, and then heat treated to control the pore size distribution and the content of surface functional groups. The surface functional groups decreased with the increased heat temperature and the specific capacitance increased with the decreased surface functional groups. The initial capacitance of coconut shell based activated carbon elec trode which was treated with NaOH and HNO3, and then heat treated at $800^{\circ}C$ was 44 F/cc, and the value turned out to be 42 F/cc after 100 cycles, showing over 95% of charge-discharge efficiency.