• Title/Summary/Keyword: L-J Potential

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Solving Time-dependent Schrödinger Equation Using Gaussian Wave Packet Dynamics

  • Lee, Min-Ho;Byun, Chang Woo;Choi, Nark Nyul;Kim, Dae-Soung
    • Journal of the Korean Physical Society
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    • v.73 no.9
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    • pp.1269-1278
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    • 2018
  • Using the thawed Gaussian wave packets [E. J. Heller, J. Chem. Phys. 62, 1544 (1975)] and the adaptive reinitialization technique employing the frame operator [L. M. Andersson et al., J. Phys. A: Math. Gen. 35, 7787 (2002)], a trajectory-based Gaussian wave packet method is introduced that can be applied to scattering and time-dependent problems. This method does not require either the numerical multidimensional integrals for potential operators or the inversion of nearly-singular matrices representing the overlap of overcomplete Gaussian basis functions. We demonstrate a possibility that the method can be a promising candidate for the time-dependent $Schr{\ddot{o}}dinger$ equation solver by applying to tunneling, high-order harmonic generation, and above-threshold ionization problems in one-dimensional model systems. Although the efficiency of the method is confirmed in one-dimensional systems, it can be easily extended to higher dimensional systems.

Production of Bio-Based Isoprene by the Mevalonate Pathway Cassette in Ralstonia eutropha

  • Lee, Hyeok-Won;Park, Jung-Ho;Lee, Hee-Seok;Choi, Wonho;Seo, Sung-Hwa;Anggraini, Irika Devi;Choi, Eui-Sung;Lee, Hong-Weon
    • Journal of Microbiology and Biotechnology
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    • v.29 no.10
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    • pp.1656-1664
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    • 2019
  • Isoprene has the potential to replace some petroleum-based chemicals and can be produced through biological systems using renewable carbon sources. Ralstonia eutropha can produce value-added compounds, including intracellular polyhydroxyalkanoate (PHA) through fatty acid and lipid metabolism. In the present study, we engineered strains of R. eutropha H16 and examined the strains for isoprene production. We optimized codons of all the genes involved in isoprene synthesis by the mevalonate pathway and manipulated the promoter regions using pLac and pJ5 elements. Our results showed that isoprene productivity was higher using the J5 promoter ($1.9{\pm}0.24{\mu}g/l$) than when using the lac promoter ($1.5{\pm}0.2{\mu}g/l$). Additionally, the use of three J5 promoters was more efficient ($3.8{\pm}0.18{\mu}g/l$) for isoprene production than a one-promoter system, and could be scaled up to a 5-L batch-cultivation from a T-flask culture. Although the isoprene yield obtained in our study was insufficient to meet industrial demands, our study, for the first time, shows that R. eutropha can be modified for efficient isoprene production and lays the foundation for further optimization of the fermentation process.

Factors influencing efficiency of somatic embryogenesis of Gentiana kurroo (Royle) cell suspension

  • Fiuk, Agnieszka;Rybczynski, Jan J.
    • Plant Biotechnology Reports
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    • v.2 no.1
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    • pp.33-39
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    • 2008
  • In this paper, we would like to show unexpected morphogenic potential of cell suspensions derived from seedling explants of Gentiana kurroo (Royle). Suspension cultures were established with the use of embryogenic callus derived from seedling explants (root, hypocotyl and cotyledons). Proembryogenic mass proliferated in liquid MS medium supplemented with $0.5mg\;l^{-1}$ 2,4-D and $1.0mg\;l^{-1}$ Kin. The highest growth coefficient was achieved for root derived cell suspensions. The microscopic analysis showed differences in aggregate structure depending on their size. To assess the embryogenic capability of the particular culture, 100 mg of cell aggregates was implanted on MS agar medium supplemented with Kin ($0.0-2.0mg\;l^{-1}$), $GA_3$ ($0.0-2.0mg\;l^{-1}$) and AS ($80.0mg\;l^{-1}$). The highest number of somatic embryos was obtained for cotyledon-derived cell suspension on $GA_3$-free medium, but the best morphological quality of embryos was observed in the presence of $0.5-1.0mg\;l^{-1}$ Kin, $0.5mg\;l^{-1}$ $GA_3$ and $80.0mg\;l^{-1}$ AS. The morphogenic competence of cultures also depended on the size of the aggregate fraction and was lower when size of aggregates decreased. Flow cytometry analysis reveled luck of uniformity of regenerants derived from hypocotyl suspension and 100% of uniformity for cotyledon suspension.

In vitro seed germination of Cymbidium aloifolium (L.) Sw., a potential medicinal Orchid from Eastern Ghats of Tamil Nadu, India

  • Philip Robinson, J.;Jyoti, Prasad Kakati;Sebastinraj, J.;Suriya, K
    • Journal of Plant Biotechnology
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    • v.44 no.3
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    • pp.343-348
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    • 2017
  • Cymbidium aloifolium (L). Sw. is an exquisite epiphytic orchid of the Kolli Hills (Eastern Ghats) of Tamil Nadu in Southern India. It is fast disappearing from its natural habitats due to deforestation and low germination rate in natural habitat. In the present study, an attempt was made to germinate the seeds from un-dehisced capsule of Cymbidium aloifolium (L). Sw under in vitro condition. The seed germination and protocorm development were recorded in three different well known media namely Knudson C (KC), Half strength Murashige & Skoog (1/2 MS) and Vacin & Went (VW) media. The highest seed germination of 90% was observed KC basal media after $30^{th}$ days whereas germination percentages were 40% and 30% on 1/2 MS and VW media respectively. The well-developed protocorm were transferred to KC media supplemented with 6-Benzyl Amino Purine (BAP) and Naphthalene acetic acid (NAA) where BAP (1.0 mg/l) and NAA (1.0 mg/l) together were found to be optimum for the highest shoot formation. About 90% of the shoots found to be well rooted after transfer to the KC medium differently supplemented with 1.5 mg/l Indole-3-acetic acid (IAA) and 1.0 mg/l Indole-3-butyric acid (IBA). Though rooting also took place in the two basic media but the duration was longer when compared with the hormone-supplemented media. The rooted plantlets were hardened and kept under greenhouse conditions which can be relocated in natural habitats.

Electrochemical Properties of Polyaniline Cathode for Lithium Secondary Batteries (리튬 2차 전지용 Polyaniline cathode의 전기화학적 특성)

  • Kim, H.C.;Kim, J.U.;Gu, H.B.;Moon, S.I.
    • Proceedings of the KIEE Conference
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    • 1996.07c
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    • pp.1685-1687
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    • 1996
  • Recently, conducting polymer has been much attracted as novel materials because of its electronic behavior and functional application by doping process. In this paper, we electrochemically synthesized polyaniline films under potential sweep conditions, which exhibit high electric conductivity about 200 S/cm. Specific energy of 600 Wh/kg and Ah efficiency 98% were achieved during the charge/discharge cycling using liquid electrolyte system. On the other hand, consequences of the cycling were 260 Wh/kg and 95% Ah efficiency using polyethylene oxide(PEO) based solid-state electrolyte system.

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Molecular Dynamics Simulations of the OSS2 Model for Water and Oxonium Ion Monomers, and Protonated Water Clusters

  • Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.23 no.1
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    • pp.107-111
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    • 2002
  • The OSS2 (Oj?me-Shavitt-Singer 2)[L. Oj?me et al., J. Chem. Phys. 109, 5547 (1998)] model for the solvated proton in water is examined for $H_2O,\;H_3O^+,\;H_5O_2^+,\;H_7O_3^+,\;and\;H_9O_4^-$ by molecular dynamics (MD) simulations. The equilibrium molecular geometries and energies obtained from MD simulations at 5.0 and 298.15 K agree very well with the optimized calculations.

Data identified Time Extension Driving Method

  • Lin, L.;Liang, B.J.;Huang, C.M.;Chiang, S.P.
    • 한국정보디스플레이학회:학술대회논문집
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    • 2006.08a
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    • pp.1247-1250
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    • 2006
  • A new liquid crystal display (LCD) Data identified Time Extension (DiTEX) driving scheme with a high charged voltage is proposed. The different charged voltage owing to the differential charging time and various initial pixel-potential can be eliminated or diminished under this method. It is compatible with a 2-row inversion and can be realized into the commercial dual-sided gate circuits.

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Preliminary Molecular Dynamics Simulations of the OSS2 Model for the Solvated Proton in Water

  • Lee, Song Hui
    • Bulletin of the Korean Chemical Society
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    • v.22 no.8
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    • pp.847-849
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    • 2001
  • The OSS2(Ojame-Shavitt-Singer 2)[L. Ojame et al., J. Chem. Phys. 109, 5547 (1998)] model as a dissociable water model is examined in order to study the dynamics of H+ in water. MD simulations for 216 water system, 215 water + H+ ion system, and 215 water + OH- ion system using the OSS2 model at 298.15 K with the use of Ewald summation are carried out. The calculated O-H radial distribution functions for these systems are essentially the same and are in very good agreement with that obtained by Ojame.

A LIOUVILLE THEOREM OF AN INTEGRAL EQUATION OF THE CHERN-SIMONS-HIGGS TYPE

  • Chen, Qinghua;Li, Yayun;Ma, Mengfan
    • Journal of the Korean Mathematical Society
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    • v.58 no.6
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    • pp.1327-1345
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    • 2021
  • In this paper, we are concerned with a Liouville-type result of the nonlinear integral equation of Chern-Simons-Higgs type $$u(x)=\vec{\;l\;}+C_{\ast}{{\displaystyle\smashmargin{2}{\int\nolimits_{\mathbb{R}^n}}}\;{\frac{(1-{\mid}u(y){\mid}^2){\mid}u(y){\mid}^2u(y)-\frac{1}{2}(1-{\mid}u(y){\mid}^2)^2u(y)}{{\mid}x-y{\mid}^{n-{\alpha}}}}dy.$$ Here u : ℝn → ℝk is a bounded, uniformly continuous function with k ⩾ 1 and 0 < α < n, $\vec{\;l\;}{\in}\mathbb{R}^k$ is a constant vector, and C* is a real constant. We prove that ${\mid}\vec{\;l\;}{\mid}{\in}\{0,\frac{\sqrt{3}}{3},1\}$ if u is the finite energy solution. Further, if u is also a differentiable solution, then we give a Liouville type theorem, that is either $u{\rightarrow}\vec{\;l\;}$ with ${\mid}\vec{\;l\;}{\mid}=\frac{\sqrt{3}}{3}$, when |x| → ∞, or $u{\equiv}\vec{\;l\;}$, where ${\mid}\vec{\;l\;}{\mid}{\in}\{0,1\}$.

Anti-Obesity Effect of Isoegomaketone Isolated from Perilla frutescens (L.) Britt. cv. Leaves (들깨 잎 추출물에서 분리한 Isoegomaketone(IK)의 항 비만 효능)

  • So, Yangkang;Jo, Yun Ho;Nam, Bo Mi;Lee, Seung Young;Kim, Jin-Baek;Kang, Si-Yong;Jeong, Hye Gwang;Jin, Chang Hyun
    • Korean Journal of Pharmacognosy
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    • v.46 no.4
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    • pp.283-288
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    • 2015
  • In this study, we investigated anti-obesity effect of isoegomaketone (IK) isolated from leaves extract of Perilla frutescens (L.) Britt. cv. We verified differentiation and lipid accumulation by Oil Red O staining in 3T3-L1 cells after IK treatment with differentiation media. IK inhibited mRNA expression of adipocyte specific genes that were related with differentiation of 3T3-L1 cells. We confirmed the effects of IK on body weight and visceral fat mass in obese mice. Mice were randomly divided into three groups; normal diet group (ND), high-fat diet group (HFD) and high-fat diet with IK group (HFD-IK). The obesity mice were induced by feeding the 45% high-fat diet to the C57BL/6J mice during 4 weeks. After HFD-IK was orally administered 10 mg/kg of IK. As a result, the body weight of HFD and HFD-IK was increased 2.4 times and 1.7 times of ND, respectively. Also visceral fat mass of HFD was increased 24 times but in the case of HFD-IK was increased to 13 times in comparison with ND. Taken together, our findings suggest that IK reduced differentiation and adiogenesis in 3T3-L1 cells, decreased the body weight and visceral fat mass in obesity mice. These results suggest that IK may have a potential benefit as anti-obesity material.