• Title/Summary/Keyword: Chemistry reaction

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Nonlinear Entropy Production in a Reversible Oregonator Model

  • Basavaraja, C.;Pierson, R.;Park, Seung-Hyun;Jeon, Eun-Ji;Huh, Do-Sung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.5
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    • pp.1051-1054
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    • 2008
  • The entropy production in a non-equilibrium state based on the reversible Oregonator model of the Belousov-Zhabotinskii (BZ) reaction system has been studied. The reaction affinity and the reaction rate for the individual steps have been calculated by varying the concentrations of key variables in the system. The result shows a linear relationship between the reaction affinity and the reaction rate in the given concentration range. However, the overall entropy calculated on the basic assumption that the entropy in a reaction system corresponds to the summation of a product of reaction affinity and reaction rate of individual steps shows a nonlinearity of the reaction system. The results well agrees with the fact that the entropy production is not linear or complicated function in a non-linear reaction system.

The First Report on Chemoselective Biguanide-Catalyzed Henry Reaction under Neat Conditions

  • Alizadeh, Abdolhamid;Khodaei, Mohammad M.;Abdi, Gisya;Kordestani, Davood
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3640-3644
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    • 2012
  • An efficient synthetic method for direct Henry reaction catalyzed by a biguanide; namely metformin, as an organosuper-base, between a variety of aromatic and aliphatic aldehydes and nitromethane under neat conditions has been developed. Convenient procedure for removal of the catalyst, chemoselective acquiring of ${\beta}$-nitroalcohols as predominant products, as far as possible short reaction time with excellent conversions are advantages of the developed protocol.

Oxidation of Aromatic Aldehydes with Tetrabutylammonium Fluoride:Competition with the Cannizzaro Reaction

  • Chung, Kyoo-Hyun;Lee, Jae Hak;Chi, Dae Yoon;Moon, Byung-Chul;Lim, Choong Hwan;Kim, Jin Pil
    • Bulletin of the Korean Chemical Society
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    • v.27 no.8
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    • pp.1203-1205
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    • 2006
  • During the synthesis of 4-fluorobenzaldehyde via the SNAr reaction of 4-nitrobenzaldehyde with TBAF, it was found that an equivalent amount of TBAF could oxidize benzaldehyde to benzoic acid. The reaction of 4-nitrobenzaldehyde with tetrabutylammonium fluoride (TBAF) gave 4-nitrobenzoic acid in high yield. Depending on the reaction conditions, other aromatic aldehydes produced acids with fewer amounts of alcohols. However, this type of oxidation has limited practical applications. Nevertheless, the mechanism is quite different from the Cannizzaro reaction because the amounts of the acid salt and alcohol formed were different.

Density Functional Theory Study of Competitive Reaction Pathways of Ti+ with Fluorinated Acetone in the Gas Phase

  • Hong, Ki-Ryong;Kim, Tae-Kyu
    • Journal of the Korean Chemical Society
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    • v.56 no.1
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    • pp.14-19
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    • 2012
  • We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between $Ti^+$ and $CF_3COCH_3$ for two plausible reaction pathways, $TiF_2^+$ and $TiO^+$ formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how $Ti^+$ activates $CF_3COCH_3$ and produces $TiF_2^+$ and $TiO^+$ as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between $Ti^+$ and $CF_3COCH_3$.

Kinetic Studies on the Reaction of the Heterobimetallic Anion, $(OC)_5CrMn(CO)_5{^-}M^{+}\;(M^{+}=Na^{+},\;PPN^{+a})\;with\;CH_3I$

  • Park, Yong-Kwang;Han, In-Sup;Kim, Jin-Ho;Lee, Choon-Ja;Baek, Youn-Ok;Song, Gwan-Ok
    • Bulletin of the Korean Chemical Society
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    • v.15 no.7
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    • pp.537-541
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    • 1994
  • The reaction of the heterobimetallic anion, ${(OC)_5CrMn(CO)_5^-M^+ (M^+=Na^+, PPN^+)\;with\;CH_3I$ was proven to be overall 1st order with respect to $[(OC)_5CrMn(CO)_5^-]$ This reaction mechanism may be described in terms of the consecutive reaction pathway in which Cr$(CO)_5$(THF) may be an important intermediate, leading to the corresponding products such as MeMn$(CO)_5\;and\;ICr(CO)_5^-$, accordingly. The counterion effect on this reaction was also elucidated.

Synthesis of Polyamides Containing N-Methylpyrrole and N-Methylimidazole and Their Anticancer Activity

  • Yuan, Gu;Xiao, Junhua;Huang, Weiqiang;Tang, Feili;Zhou, Yawei
    • Archives of Pharmacal Research
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    • v.25 no.5
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    • pp.585-589
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    • 2002
  • Three hairpin polyamides were designed and synthesized by a haloform reaction and DCC/HOBt coupling reaction without amino protection and deprotection. Their anticancer activity were investigated with three kinds of cell lines-hepatic carcinoma, lung carcinoma and gastric carcinoma, and the values of $IC_{50}$ were at range of $10^{-7}~10^{-8}M$.

Ni Foam-Supported Ni Nanoclusters for Enhanced Electrocatalytic Oxygen Evolution Reaction

  • Hoeun Seong;Jinhee Kim;Kiyoung Chang;Hyun-woo Kim;Woojun Choi;Dongil Lee
    • Journal of Electrochemical Science and Technology
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    • v.14 no.3
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    • pp.243-251
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    • 2023
  • Developing oxygen evolution reaction (OER) electrocatalysts is essential to accomplish viable CO2 and water electrolysis. Herein, we report the fabrication and OER performance of Ni-foam (NF)-immobilized Ni6 nanoclusters (NCs) (Ni6/NF) prepared by a dip-coating process. The Ni6/NF electrode exhibited a high current density of 500 mA/cm2 for the OER at an overpotential as low as 0.39 V. Ni6/NF exhibited high durability in an alkaline solution without corrosion. Electrokinetic studies revealed that OER can be easily initiated on Ni6 NC with fast electron-transfer rates. Finally, we demonstrated stable CO2-to-CO electroreduction using an NC-based zero-gap CO2 electrolyzer operated at a current density of 100 mA/cm2 and a full-cell potential of 2.0 V for 12 h.

Kinetic Study on Bromine-Exchange Reaction of Antimony Tribromide with $\alpha$-Phenylethyl Bromide in Nitrobenzene

  • Choi, Sang-Up;Pae, Young-Il;Rhyu, Sok-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.6 no.3
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    • pp.124-127
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    • 1985
  • The kinetic study on the bromine-exchange reaction of antimony tribromide with ${\alpha}$-phenylethyl bromide in nitrobenzene has been carried out, using Br-82 labelled antimony tribromide. The results show that the exchange reaction is first order with respect to ${\alpha}$-phenylethyl bromide, and either second or first order with respect to antimony tribromide depending on its concentration. It is also concluded that ${\alpha}$-phenylethyl bromide exchanges bromine atom with antimony tribromide much faster than other organic bromides previously examined. Reaction mechanisms for the exchange reaction are discussed.