• Bulletin of the Korean Chemical Society
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• v.18 no.3
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• pp.287-291
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• 1997

The photochemical reaction of aqueous dichloromethane in the absence (saturated with argon) and the presence of O2 (saturated with air or oxygen) has been investigated using 184.9 nm UV light. The irradiation of the solution causes the formation of 1,2-dichloroethane, 1,1,2-trichloroethane, 1,1,2,2-tetrachloroethane and chloride ion. The initial quantum yield of the products in the absence of oxygen was determined to be 8.6 × 10-3, 7.3 × 10-3, 4.4 × 10-3 and 2.3 × 10-2, respectively. In addition to these main products, small amounts of 1,2,3-trichloropropane, 1,1,2,2,3-pentachloropropane, 1,1,2,3,3-pentachloropropane, 1,3-dichloropropane and 1,1,2,2,3,3-hexachloropropane were detected. In the presence of oxygen, hydrogen peroxide was also detected along with the products listed above. With increasing the concentration of oxygen, while formation of the chlorinated organic products diminished, formation of chloride ion increased. Probable reaction mechanisms for the photochemical reaction were presented on the basis of products analysis.

• Asian Journal of Atmospheric Environment
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• v.9 no.2
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• pp.158-164
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• 2015

The estimation of the concentration of hydroxyl radical (OH) in the atmosphere is essential to build atmospheric models and to understand the mechanisms of the reactions involved in OH. Although water vapor is one of the most abundant species in the troposphere, only a few studies have been performed for the reaction of OH and water vapor. Here I demonstrate an ab initio study on the complex forming reation of OH with $H_2O$ in the gas phase performed based on density functional theory to calculate the reaction rate and the energy states of the reactant and the OH-$H_2O$ complex. The structure of the complex, which belongs to the Cs point group, was optimized at global minima. The transition state was not found at the B3LYP and MP2 levels of theory. Rate constants of the forward and the reverse reactions were calculated as $1.1{\times}10^{-16}cm^3\;molecule^{-1}\;s^{-1}$ and $5.3{\times}10^9\;s^{-1}$, respectively. The extremely slow rates of complex forming reaction and the resulting hydrogen atom exchange reaction of OH and $H_2O$, which are consistent with experimentally determined values, imply a negligible possibility of a change in OH reactivity through the title reaction.

• Proceedings of the Korean Vacuum Society Conference
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• 2004.08a
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• pp.189-189
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• 2004

• Microbiology and Biotechnology Letters
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• v.28 no.1
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• pp.26-32
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• 2000

Electrostatic forces contribute to the high degree of enzyme transition state complementarity in enzyme catalyzed reaction and such forces are modified by the solvent through its dielectric constant and polar properties. The contributions of electrostatic interaction to the formation of ES complex and the stabilization of transition state of the trypsin catalyzed reaction were probed by kinetic studied with high pressure and solvent dielectric constant. A good correlation has been observed between the increase of catalytic efficiency of trypsin and the decrease of solvent dielectric constant. Activation volume linearly decreased as the dielectric constant of solvent decreased, which means the increase in the reaction rae. Moreover, the decrease of activation volume by lowering the solvent dielectric constant implies a solvent penetration of the active with and a reduction of electrostatic energy for the formation of dipole of the active site oxyanion hole. When the 야electric constant of the solvents was lowered to 4.7 unit, the loss of activation energy and that of free energy of activation were 2.262 KJ/mol and 3.169 KJ/mol, respectively. The results of this study indicate that the high pressure kinetics combined with solvent effects can provide unique information on enzyme reaction mechanisms, and the controlling the solvent dielectric constant can stabilize the transition state of the trypsin-catalyzed reaction.

• Journal of Advanced Marine Engineering and Technology
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• v.22 no.1
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• pp.108-116
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• 1998

In this paper it is investigated the roles of key elementary reactions for NO formation in methane-air one-dimensional premixed flame and counterflow diffusion flame, which were studied numerically by using NO kinetics and $C_{2}$ -chemistry complied by Miller and Bowman. The spatial distributions of the reaction rates of 9 main elementary reactions directly related to NO formation and destruction were calculated. Integration of the rates of all reactions in the NO formation across the flame yields the quantitative reaction path diagram, which shows clearly relative importance of each reaction path in NO formation and how it changes with the type and parameters of the flame. The results show that the thermal and Fenimore mechanisms are dominant respectively for learn and rich premixed flames, and the latter is dominant for diffusion flames. In addition, it was found that the HCN recycle route is important for diffusion flame, and that the routes of mutual transformation between NO and NO$^{2}$, and between NO and HNO do not contribute to the net NO formation.

• Journal of the Korean Society of Industry Convergence
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• v.15 no.3
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• pp.71-77
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• 2012

This study gives the optimal reaction conditions, reaction mechanisms, reaction rates leaded from the oxidation of phenol by electron beam accelerator and ozone used for recent water treatment. It gives the new possibility of water treatment process to effectively manage industrial sewage containing toxic organic compounds and biological refractory materials. The high decomposition of phenol was observed at the low dose rate, but at this low dose rate, the reaction time was lengthened. So we must find out the optimal dose rate to promote high oxidation of reactants. The reason why the TOC value of aqueous solution wasn't decreased at the low dose was that there were a lot of low molecular organic acids as an intermediates such as formic acid or glyoxalic acid. In order to use both electron beam accelerator and biological treatment for high concentration refractory organic compounds, biological treatment is needed when low molecular organic compounds exist abundantly in sewage. In this experiment, the condition of making a lot of organic acids is from 5 kGy into 20 kGy dose. Decomposition rate of phenol by electron beam accelerator was first order reaction up to 300ppm phenol solution on the basic of TOC value and also showed first order reaction by using both air and ozone as an oxidants.

• The Journal of Korea Robotics Society
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• v.3 no.4
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• pp.270-277
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• 2008

The development of a face robot basically targets very natural human-robot interaction (HRI), especially emotional interaction. So does a face robot introduced in this paper, named Buddy. Since Buddy was developed for a mobile service robot, it doesn't have a living-being like face such as human's or animal's, but a typically robot-like face with hard skin, which maybe suitable for mass production. Besides, its structure and mechanism should be simple and its production cost also should be low enough. This paper introduces the mechanisms and functions of mobile face robot named Buddy which can take on natural and precise facial expressions and make dynamic gestures driven by one laptop PC. Buddy also can perform lip-sync, eye-contact, face-tracking for lifelike interaction. By adopting a customized emotional reaction decision model, Buddy can create own personality, emotion and motive using various sensor data input. Based on this model, Buddy can interact probably with users and perform real-time learning using personality factors. The interaction performance of Buddy is successfully demonstrated by experiments and simulations.

• Advances in Traditional Medicine
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• v.4 no.3
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• pp.125-136
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• 2004

The pharmacological mechanisms of most Oriental medicines have not been clearly defined in spite of their effective use in treating many diseases throughout the world. Many Oriental medicines have been used against various allergic diseases for generations, and still occupy an important place in traditional medicine in far eastern countries including Korea. It is also still unclear how Oriental drugs prevent allergic disease in vivo or in vitro models. Some Korean folk medicine inhibited the mast cell-mediated allergic reaction. This review summarizes the effective folk medicine in experimental effect on systemic or local anaphylaxis reaction. Potential anti-anaphylactic folk medicines include: Poncirus trifoliata; Siegesbeckia glabrescence; Solanum lyratum; Aquilaria agallocha; Ulmi radicis; Polygonum tinctorium; Hwanglyun-Haedok-Tang; Rehmannia glutinosa; Kum-Hwag-San; Syzygium aromaticm; Spirulina platensis; Sosiho-Tang; Sinomenium acutum; Schizonepta tenuifolia; Shini-San; Magnoliae flos; Sochungryong-Tang; Oryza sativa; Cryptotympana atrata; Salviae radix; Rosa davurica; Asiasari radix; Chung-Dae-San; Cichorium intybus; Perilla frutescens; Vitex rotundifolia; Terminalia chebula; Siberian Ginseng; Solanum melongena; Gahmi-Shini-San; Alpinia oxyphylla; Acanthopanax senticosus root; Prunella vulgaris; Allergina; Ixeris dentate; Acanthopanax senticosus stem; Tongkyutang; Salvia plebeia; Rubus coreanus; Sinpo- Tang; Dodutang; Forsythia fructus; Xanthii fructus; and Purple bamboo slat. Ensuring the effects and understanding the mechanisms of action for these Oriental medicines can permit drug development and laying of the ground-work for evaluating potential synergistic effects by addition and subtraction of prescriptions.

• Bulletin of the Korean Chemical Society
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• v.26 no.7
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• pp.1017-1024
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• 2005

Elimination reactions of $XC_6H_4CH_2CO_2C_6H_3-2-Y-4-NO_2$ have been studied under various conditions. When X was moderately electron-withdrawing, Y = H, and base-solvent was $R_2$NH-MeCN, the reaction proceeded by the E2 mechanism via an E1cb-like transition state. Concave downward curve was noted in the Hammett plots. When X = 4-$NO_2$, Y = Cl, $CF_3,\;NO_2$, and the base-solvent was ${R_2NH/R_2NH_2}^+$ in 70 mol % MeCN(aq), the reaction proceeded by the E2 mechanism. The mechanism changed to a competing E2 and E1cb when X = 4-$NO_2$ and Y = H, MeO, and to the E1cb when X = 2,4-($NO_2)_2$, and Y = $NO_2$. From these results, a plausible pathway of the change of the mechanism from E2 to the E1cb extreme is proposed.

• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1955-1961
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• 2012

In this work, the reactions of carbamyl and thiocarbamyl halides with $NH_3$ were studied in the gas phase at the MP2(FC)/6-31+G(d) level of theory. Single point calculations were performed at the QCISD/6-311+G(3df,2p) to refine the energetics. The reaction mechanisms were also studied in aqueous solution. The structures were fully optimized at the CPCM-MP2(FC)/6-31+G(d) and refined by a single point CPCM-QCISD/6-311+G(3df,2p) calculations. The reaction mechanisms for the title compounds were compared with those for the acetyl and thioacetyl halides. The lower reactivity of carbamyl (and thiocarbamyl) groups was explained by comparing the C=O and C=S ${\pi}$-bond strengths as well as resonance contributions in the ground state.