• 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.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3350-3356
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• 2013

Quasi-classical trajectory calculations have been carried out for the reaction H+HS by using the newest triplet 3A" potential energy surface (PES). The effects of the collision energy and reagent initial rotational excitation are studied. The cross sections and thermal rate constants for the title reaction are calculated. The results indicate that the integral cross sections (ICSs) are sensitive to the collision energy and almost independent to the initial rotational states. The ro-vibrational distributions for the product $H_2$ at different collision energies are presented. The investigations on the vector correlations are also performed. It is found that the collision energies play a postive role on the forward scatter of the product molecules. There is a negative influence on both the alignment and orientation of the product angular momentum for low collision energy at low energy region. Whereas the influence of collision energy is not obvious at high energy region.

• Bulletin of the Korean Chemical Society
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• v.25 no.11
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• pp.1645-1647
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• 2004

Potential energy surfaces for the reaction Al + $O_2{\to}$AlO + O have been calculated with the multireference configuration interaction (MRCI) method using molecular orbitals derived from the complete active space selfconsistent field (CASSCF) calculations. The end-on geometry is the most favourable for the reaction to take place. The small reaction barrier in the present calculation (0.11 eV) is probably an artefact related to the ionicneutral avoided crossing. The charge analysis implies that the title oxidation reaction occurs through a harpooning mechanism. Along the potential energy surface of the reaction, there are two stable intermediates of $AlO_2(C_{{\infty}v}$ and $C_{2v}$) at least 2.74 eV below the energy of reactants. The calculated enthalpy of the reaction (-0.07 eV) is in excellent agreement with the experimental value (-0.155 eV) in part due to the fortuitous cancellation of errors in AlO and $O_2$ calculations.

• 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.

• Journal of Pharmaceutical Investigation
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• v.34 no.2
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• pp.101-106
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• 2004

This work aims at examining the cellular uptake behavior of poly(D,L-lactide-co-glycolide) (PLGA) nanoparticles derivatized with a protein transduction domain (PTD) using HeLa cells. For this purpose, $Tat_{49-57}$ peptide derived from transcriptional activation (Tat) protein of HIV type-1 was covalently conjugated to the terminal end of PLGA. Nanoparticles were ten prepared with the $Tat_{49-57}-PLGA$ conjugates by a spontaneous phase inversion method. The prepared particles had a mean diameter of ca. 84 nm, as measured by dynamic light scattering. The interaction of the Tat-PLGA nanoparticles with cells was examined by using confocal laser scanning microscopy. It was found tat Tat-PLGA nanoparticles incubated with HeLa cells could efficiently translocate into cytoplasm, while plain PLGA nanoparticles showed negligible cellular uptake. In addition, even at $4^{\circ}C$ or in the presence of sodium azide significant cellular internalization of Tat-PLGA nanoparticles was still observed. These results indicate that a non-endocytotic translocation mechanism might be involved in the cellular uptake of Tat-PLGA nanoparticles.

• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.199-203
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• 2011

The title one-dimensional hydrogen-bonded coordination compound $[Cu^{II}(C_{13}H_{17}N_3OBr)(C_8H_5O_4)]{\cdot}2H_2O.CH_3OH$ has been synthesized and characterized by single crystal X-ray diffraction study. The monomeric unit contains a square-planar $Cu^{II}$ centre. The four coordination sites are occupied by a tridentate anionic Schiff base ligand (4-bromo-2-[(2-piperazin-1-yl-ethylimino)-methyl]-phenol) which furnishes an $N_2O$-donor set, with the fourth position being occupied by the oxygen atom of an adjacent terephthalate unit. Two adjacent neutral molecules are linked through intermolecular N-H---O and O-H---N hydrogen bonds and generate a dimeric pair. Each dimeric pair is connected with each other via discrete water and methanol molecules by hydrogen bonding to form a one-dimensional supramolecular network.

• 한국HCI학회:학술대회논문집
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• 2009.02a
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• pp.285-289
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• 2009

Tag is important to retrieve and classify contents. However, someone uses so many unrelated tags with contents for the high ranking In this work, we propose tag refinement algorithm using TextRank. We calculate the importance of keywords occurred a title, description, tag, and comments. We refine tags removing unrelated keywords from user generated tags. From the results of experiments, we can see that proposed method is useful for refining tags.

• Korean Journal of English Language and Linguistics
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• v.2 no.1
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• pp.123-147
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• 2002

As far as the recent ELT research concerned, it seems to have been no hot ‘theoretical’ issues, but ‘practical’ ones in general: e.g., learners and learning, components of proficiency, correlates of L2 learning, etc. This paper focuses on the theme given above, with a special reference to the sub-title: specifically, 1) World English, world Englishes and world's lingua franca; 2) ENL, ESL and EFL; 3) Grammars, style manuals, dictionaries and media; 4) Pronunciation models: RP, BBC model and General American, Network Standard; 5) Lexical, grammatical variations and discourse grammars; 6) Beliefs and subjective theories in foreign language research; 7) Dilemma among radical, canonical and eclectic views. In conclusion, the author offers a modest proposal: we need to appeal to our own experience, intention, feeling and purpose, that is, our identity to express “our own selves” in our contexts toward the world anywhere, if not sounding authentic enough, but producing it plausibly well. It is time for us (with our ethno-cultural autonomy) to need to be complementary to and parallel with its native speakers' linguistic-cultural authenticity in terms of the broadest mutual understanding.

• The Transactions of the Korean Institute of Electrical Engineers D
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• v.54 no.4
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• pp.251-258
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• 2005

Automatic document classification may differ significantly according to the characteristics of documents that are subject to classification, as well as classifier's performance. This research identifies e-mail document's characteristics to apply a three-step preprocessing algorithm that can minimize e-mail document's atypical characteristics. In the first 5go, uncertain based sampling algorithm that used Mean Absolute Deviation(MAD), is used to address the question of selection learning document for the rule generation at the time of classification. In the subsequent stage, Weighted vlaue assigning method by attribute is applied to increase the discriminating capability of the terms that appear on the title on the e-mail document characteristic level. in the third and last stage, accuracy level during classification by each category is increased by using Naive Bayesian Presumptive Algorithm's Dynamic Threshold. And, we implemented an E-Mail Recommendtion System using a three-step preprocessing algorithm the enable users for direct and optimal classification with the recommendation of the applicable category when a mail arrives.

• Korean Journal of Child Studies
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• v.26 no.4
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• pp.71-84
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• 2005

Eighty-eight 5-year-old subjects were tested by the Torrance Tests of Creative Thinking, and randomly assigned to experimental(n=44) or control(n=44) groups. Developed in collaboration with kindergarten teachers, physical activity projects were based on themes from "life and health" and "life as expression" of the kindergarten curriculum. The resulting program consisting of 24 activities was applied to the experimental group for 24 sessions. Data were analyzed by mean, standard deviation, and repeated measures ANOVA. Effectiveness of the physical activity program for enhancing creativity was shown by a significant increase in mean creativity scores of the experimental group and in the sub-scores of fluency, originality, abstraction of title, elaboration, and resistance to an impetuous ending.