• Title/Summary/Keyword: Chemical potential distribution

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Numerical Simulation of Tracer Distribution during CAPTEX (CAPTEX 자료에 나타난 추적물 농도 분포의 수치 모사)

  • Kim, Seung-Bum;Lee, Tae-Young
    • Journal of Korean Society for Atmospheric Environment
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    • v.10 no.E
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    • pp.357-370
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    • 1994
  • This paper introduces an Eulerian long- range transport model coupled with a mesoscale atmospheric model. The model has been applied to the simulation of tracer distribution during two cases of Cross Appalachian Tracer Experiment (CAPIEX). Meteorological fields are Predicted by CSU RAMS with four-dimensional assimilation and tracer transport is computed from an Eulerian dispersion model. The atmospheric model with a four-dimensional assimilation has produced meteorological fields that agree well with observation and has proved its high potential as a generator of meteorological data for a long-range transport model. The Present transport model Produces reasonable simulations of observed tracer transport although it was partially successful in the case with complicated structure in observed concentration. Model with Bott's 2nd-order scheme performs as well as that with Bott's 4th-order scheme and increased explicit horizontal diffusivity. Diagnosis of the model results indicates that the Present long-range transport model has a good potential as a framework for the acid deposition model with detailed cloud and chemical processes.

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Characterization of Two Metagenome-Derived Esterases That Reactivate Chloramphenicol by Counteracting Chloramphenicol Acetyltransferase

  • Tao, Weixin;Lee, Myung-Hwan;Yoon, Mi-Young;Kim, Jin-Cheol;Malhotra, Shweta;Wu, Jing;Hwang, Eul-Chul;Lee, Seon-Woo
    • Journal of Microbiology and Biotechnology
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    • v.21 no.12
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    • pp.1203-1210
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    • 2011
  • Function-driven metagenomic analysis is a powerful approach to screening for novel biocatalysts. In this study, we investigated lipolytic enzymes selected from an alluvial soil metagenomic library, and identified two novel esterases, EstDL26 and EstDL136. EstDL26 and EstDL136 reactivated chloramphenicol from its acetyl derivates by counteracting the chloramphenicol acetyltransferase (CAT) activity in Escherichia coli. These two enzymes showed only 27% identity in amino acid sequence to each other; however both preferentially hydrolyzed short-chain p-nitrophenyl esters (${\leq}C_5$) and showed mesophilic properties. In vitro, EstDL136 catalyzed the deacetylation of 1- and 3-acetyl and 1,3-diacetyl derivates; in contrast, EstDL26 was not capable of the deacetylation at $C_1$, indicating a potential regioselectivity. EstDL26 and EstDL136 were similar to microbial hormone-sensitive lipase (HSL), and since chloramphenicol acetate esterase (CAE) activity was detected from two other soil esterases in the HSL family, this suggests a distribution of CAE among the soil microorganisms. The isolation and characterization of EstDL26 and EstDL136 in this study may be helpful in understanding the diversity of CAE enzymes and their potential role in releasing active chloramphenicol in the producing bacteria.

Adsorption Behavior of Monosubstituted-Halophenols by Amberlite XAD Resins (Amberlite XAD 수지에 대한 일치환 할로 페놀들의 흡착거동에 관한 연구)

  • Lee, Taek Hyeok;Lee, Dae Un
    • Journal of the Korean Chemical Society
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    • v.34 no.3
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    • pp.267-279
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    • 1990
  • The adsorption mechanisms of phenols on XAD-2 and XAD-7 resins were studied by using the distribution coefficient(log Kd) measured in the optimum adsorption conditions. It was observed that the Langmuir adsorption isotherm, indicating a molecular size-dependent adsorption, was appropriate for characterizing the adsorption behaviors of phenols on XAD-2 and XAD-7 resins. The adsorption energies of phenols on XAD resins were calculated by Lennard-Jones potential equation. In the calculation of the adsorption energy, the molecular radii and dipole moments of the resins and phenols were calculated by their van der Waals volumes and Debye equation, respectively. The stacking factor (F) were determined from the radio of the equilibrium distance to the stacking distance of molecules. In order to explain the adsorption energy calculated from the stacking factor it was compared with the adsorption enthalpy for each of phenols which was experimentally determined by batch adsorption shake method. It was observed that the adsorption enthalpy of phenolate ions on the XAD resins was likely to be more seriously affected by dispersion interaction than by a dipole or a charge interaction.

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Preparation of Pt/C catalyst for PEM fuel cells using polyol process (Polyol Process를 통한 PEM Fuel Cell용 Pt/C촉매 제조)

  • Oh, Hyoung-Seok;Kim, Han-Sung
    • 한국신재생에너지학회:학술대회논문집
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    • 2006.11a
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    • pp.443-446
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    • 2006
  • Carbon-supported Platinum (Pt) is the potential electro-catalyst material for anodic and cathodic reactions in fuel cell. Catalytic activity of the metal strongly depends on the particle shape, size and distribution of the metal in the porous supportive network. Conventional preparation techniques based on wet impregnation and chemical reduction of the metal precursors often do not provide adequate control of particle size and shape. We have proposed a novel route for preparing nano sized Pt colloidal particles in solution by oxidation of ethylene glycol. These Pt nano particles were deposited on large surface area carbon support. The process of nano Pt colloid formation involves the oxidation of solvent ethylene glycol to mainly glycolic acid and the presence of its anion glycolate depends on the solution pH. In the process of colloidal Pt formation glycolate actsas stabilizer for the Pt colloidal particle and prevents the agglomeration of colloidal Pt particles. These mono disperse Pt particles in carbon support are found uniformly distributed in nearly spherical shape and the size distribution was narrow for both supported and unsupported metals. The average diameter of the Pt nano particle was controlled in the range off to 3 nm by optimizing reaction parameters. Transmission electron microscopy, CV and RRDE experiments were used to compliment the results.

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Preparation and Characterization of Rosiglitazone-loaded PLGA Nanoparticles (Rosiglitazone약물을 함유한 PLGA 나노입자 제조 및 분석)

  • Shin, Ko-Eun;Huh, Kang-Moo;Lee, Yong-Kyu
    • KSBB Journal
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    • v.23 no.5
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    • pp.408-412
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    • 2008
  • The rosiglitazone loaded poly (lactide-co-glycolide) (PLGA) nanoparticles (NPs) were prepared by the emulsion-evaporation method and optimized for particle size and entrapment efficiency. The optimized particles were 140-180 nm in size with narrow size distribution and 80% entrapment efficiency at 1% w/w initial drug loading when prepared with 1-3% w/v of PVA as a surfactant. These particulate carriers exhibited controlled in vitro release of rosiglitazone for 36 hrs at a nearly constant rate after 4 hrs release. In conclusion, these results indicate that PLGA NPs have greater potential for oral delivery of rosiglitazone.

Three-Dimensional Porous Collagen/Chitosan Complex Sponge for Tissue Engineering

  • Kim, Sung Eun;Cho, Yong Woo;Kang, Eun Jung;Kwon, Ick Chan;Lee, Eunhee Bae;Kim, Jung Hyun;Chung, Hesson;Jeong, Seo Young
    • Fibers and Polymers
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    • v.2 no.2
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    • pp.64-70
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    • 2001
  • A three-dimensional, porous collagen/chitosan complex sponge was prepared to closely simulate basic extracellular matrix (ECM) constitutes, collagen and glycosaminoglycan. The complex sponge was prepared by a lyophilization method and had the regular network with highly porous structure, suitable for cell adhesion and growth. The pores were well interconnected, and their distribution was fairly homogeneous. The complex sponge was crosslinked using 1-ethyl-3-(3-dimethyl aminopropyl) carbodiimide (EDC) and N-hydroxysuccinimide (NHS) to increase its boilogical stability and enhance its mechanical properties. The crosslinking medium has a great effect on the inner structure of the sponge. The homogeneous, porous structure of the sponge was remarkably collapsed in an aqueous crosslinking medium. However, the morphology of the sponge remained almost intact in a water/ethanol mixture crosslinking milieu. Mechanical properties of the collagen/chitosan sponge were significantly enhanced by EDC-mediated crosslinking. The potential of the sponge as a scaffold for tissue engineering was investigated using a Chinese hamster ovary cell (CHO-K1) line.

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Quasiclassical Trajectory Calculations for the Reaction Ne + H2+ → NeH+ + H

  • Wang, Yuliang;Tian, Baoguo;Qu, Liangsheng;Chen, Juna;Li, Hui
    • Bulletin of the Korean Chemical Society
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    • v.32 no.12
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    • pp.4210-4214
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    • 2011
  • Quasiclassical trajectory (QCT) calculations of Ne + ${H_2}^+$ reaction have been carried out on the adiabatic potential energy surface of the ground state $1^2$ A'. The reaction probability of the title reaction for J = 0 has been calculated, and the QCT result is consistent with the previous quantum mechanical wave packet result. Quasiclassical trajectory calculations of the four polarization-dependent differential cross sections have been carried out in the center of mass (CM) frame. The P(${\theta}_r$), P(${\phi}_r$) and P(${\theta}_r$, ${\phi}_r$) distributions, the k-k'-j' correlation and the angular distribution of product rotational vectors are presented in the form of polar plots. Due to the well in $1^2$ A' PES, the reagent vibrational excitation has greater influence on the polarization of the product rotational angular momentum vectors j' than the collision energy.

Electrodeposition of Gold on Fluorine-Doped Tin Oxide: Characterization and Application for Catalytic Oxidation of Nitrite

  • Rahman, Md. Mahbubur;Li, Xiao-Bo;Lopa, Nasrin Siraj;Lee, Jae-Joon
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2072-2076
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    • 2014
  • Sub-micrometer size gold particles were electrodeposited on a transparent fluorine-doped tin oxide (FTO) from acetonitrile solution containing $AuCl_4{^-}$ and tetramethylammonium tetraflouroborate (TMATFB) for detecting $NO_2{^-}$. A series of two-electron ($2e^-$) and one-electron ($1e^-$) reductions of the $AuCl_4{^-}-AuCl_2{^-}-Au$ redox systems were observed at FTO and a highly stable and homogeneous distribution of Au on FTO (Au/FTO) was obtained by stepping the potential from 0 to -0.55 V (vs. Ag/$Ag^+$). The Au/FTO electrode exhibited sufficiently high catalytic activity toward the oxidation of $NO_2{^-}$ with a detection limit (S/N = 3) and sensitivity of 2.95 ${\mu}M$ and 223.4 ${\mu}A{\cdot}cm^{-2}{\cdot}mM^{-1}$, respectively, under optimal conditions. It exhibited an interference-free signal for $NO_2{^-}$ detection with excellent recoveries from real samples.

N-tetradecane/Water Emulsion as a Low-cost Phase Change Material for Efficient Packaging and Shipping of Vaccines

  • Dao, Van-Duong;Choi, Ho-Suk
    • Clean Technology
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    • v.23 no.3
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    • pp.325-330
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    • 2017
  • This study presents the preparation of n-tetradecane-in-water emulsions with different weight ratios of n-tetradecane and water, and their potential application in packaging and shipping vaccines. The size and distribution of the n-tetradecane droplets are characterized using optical microscopy and light scattering methods, respectively. The thermal properties of the emulsions are determined using the T-history method. In the results, the emulsions, which are comprised of 17 ~ 30 wt% oil, 3 wt% surfactant, and 67 ~ 80 wt% water, are stable and have droplet sizes in the range of 100 to 800 nm. The thermal properties demonstrate that subcooling is prevented through increasing the droplet size. The results indicate that the n-tetradecane/water emulsions containing 25 ~ 35 wt% n-tetradecane, with a melting point of $2{\sim}8^{\circ}C$ and a latent heat of $227.0{\sim}250.8kJ\;kg^{-1}$, are good candidate materials for packaging and shipping vaccines.

The Influence of Collision Energy on the Reaction H+HS→H2+S

  • Liu, Yanlei;Zhai, Hongsheng;Zhu, Zunlue;Liu, Yufang
    • 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.