• Title/Summary/Keyword: log chain

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Diffusion of Probe Molecule in Small Liquid n-Alkanes: A Molecular Dynamics Simulation Study

  • Yoo, Choong-Do;Kim, Soon-Chul;Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.29 no.8
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    • pp.1554-1560
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    • 2008
  • The probe diffusion and friction constants of methyl yellow (MY) in liquid n-alkanes of increasing chain length were calculated by equilibrium molecular dynamics (MD) simulations at temperatures of 318, 418, 518 and 618 K. Lennard-Jones particles with masses of 225 and 114 g/mol are modeled for MY. We observed that the diffusion constant of the probe molecule follows a power law dependence on the molecular weight of nalkanes, DMY${\sim}M^{-\gamma}$ well. As the molecular weight of n-alkanes increases, the exponent $\gamma$ shows sharp transitions near n-dotriacontane ($C_{32}$) for the large probe molecule (MY2) at low temperatures of 318 and 418 K. For the small probe molecule (MY1) $D_{MY1}$ in $C_{12}$ to C80 at all the temperatures are always larger than Dself of n-alkanes and longer chain n-alkanes offer a reduced friction relative to the shorter chain n-alkanes, but this reduction in the microscopic friction for MY1 is not large enough to cause a transition in the power law exponent in the log-log plot of DMY1 vs M of n-alkane. For the large probe molecule (MY2) at high temperatures, the situation is very similar to that for MY1. At low temperatures and at low molecular weights of n-alkanes, $D_{MY2}$ are smaller than $D_{self}$ of n-alkanes due to the relatively large molecular size of MY2, and MY2 experiences the full shear viscosity of the medium. As the molecular weight of n-alkane increases, $D_{self}$ of n-alkanes decreases much faster than $D_{MY2}$ and at the higher molecular weights of n-alkane, MY2 diffuses faster than the solvent fluctuations. Therefore there is a large reduction of friction in longer chains compared to the shorter chains, which enhances the diffusion of MY2. The calculated friction constants of MY1 and MY2 in liquid n-alkanes supported these observations. We deem that this is the origin of the so-called“solventoligomer”transition.

Analysis of Static Crack Growth in Asphalt Concrete using the Extended Finite Element Method (확장유한요소법을 이용한 아스팔트의 정적균열 성장 분석)

  • Zi, Goangseup;Yu, Sungmun;Thanh, Chau-Dinh;Mun, Sungho
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.30 no.4D
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    • pp.387-393
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    • 2010
  • This paper studies static crack growth of asphalt pavement using the extended finite element method (XFEM). To consider nonlinear characteristics of asphalt concrete, a viscoelastic constitutive equation using the Maxwell chain is used. And a linear cohesive crack model is used to regularize the crack. Instead of constructing the viscoelastic constitutive law from the Prony approximation of compliance and retardation time measured experimentally, we use a smooth log-power function which optimally fits experimental data and is infinitely differentiable. The partial moduli of the Maxwell chain from the log-power function make analysis easy because they change more smoothly in a more stable way than the ordinary method such as the least square method. Using the developed method, we can simulates the static crack growth test results satisfactorily.

Appropriate identification of optimum number of hidden states for identification of extreme rainfall using Hidden Markov Model: Case study in Colombo, Sri Lanka

  • Chandrasekara, S.S.K.;Kwon, Hyun-Han
    • Proceedings of the Korea Water Resources Association Conference
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    • 2019.05a
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    • pp.390-390
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    • 2019
  • Application of Hidden Markov Model (HMM) to the hydrological time series would be an innovative way to identify extreme rainfall events in a series. Even though the optimum number of hidden states can be identify based on maximizing the log-likelihood or minimizing Bayesian information criterion. However, occasionally value for the log-likelihood keep increasing with the state which gives false identification of the optimum hidden state. Therefore, this study attempts to identify optimum number of hidden states for Colombo station, Sri Lanka as fundamental approach to identify frequency and percentage of extreme rainfall events for the station. Colombo station consisted of daily rainfall values between 1961 and 2015. The representative station is located at the wet zone of Sri Lanka where the major rainfall season falls on May to September. Therefore, HMM was ran for the season of May to September between 1961 and 2015. Results showed more or less similar log-likelihood which could be identified as maximum for states between 4 to 7. Therefore, measure of central tendency (i.e. mean, median, mode, standard deviation, variance and auto-correlation) for observed and simulated daily rainfall series was carried to each state to identify optimum state which could give statistically compatible results. Further, the method was applied for the second major rainfall season (i.e. October to February) for the same station as a comparison.

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Detection of Emetic Bacillus cereus from Ready-to-eat Foods in Markets and its Production of Cereulide under Simulated Conditions

  • Kim, Heesun;Chang, Hyeja
    • Journal of the FoodService Safety
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    • v.1 no.1
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    • pp.9-18
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    • 2020
  • B. cereus-produced cereulide as an emetic toxin is commonly isolated in starch-based cooked foods. This study examined the prevalence of B. cereus from ready-to-eat foods in markets by polymerase chain reaction analysis and determined the relationship between the level of B. cereus and the quantity of cereulide in the sample after different storage times and temperatures. The prevalence of general B. cereus in 43 starch foods was 32.6%, and the level of B. cereus ranged from 0.5 to 1.95 log cfu/g, meeting the Korea Food Code Specifications of 3 log CFU/g of B. cereus. No samples revealed emetic B. cereus. Fried rice samples were inoculated with a cereulide-producing reference strain, B. cereus NCCP 14796, to determine the level of B. cereus and the quantity of cereulide in the samples after storage for 0, 4, 6, 8, 20, 24, 30, 48, 72, and 96 h at 7, 25, 35, and 57℃. The average levels of B. cereus at 7, 25, 35, and 57℃ were 4.38, 7.31, 7.88, and 3.82 log cfu/g, and the levels of cereulide were 150.41, 1680.70, 2652.65, and 77.83 ㎍/mL, respectively, showing a significant difference according to the incubation time (P<0.05) and temperature (P<0.001).

The Bayesian Approach of Software Optimal Release Time Based on Log Poisson Execution Time Model (포아송 실행시간 모형에 의존한 소프트웨어 최적방출시기에 대한 베이지안 접근 방법에 대한 연구)

  • Kim, Hee-Cheul;Shin, Hyun-Cheul
    • Journal of the Korea Society of Computer and Information
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    • v.14 no.7
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    • pp.1-8
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    • 2009
  • In this paper, make a study decision problem called an optimal release policies after testing a software system in development phase and transfer it to the user. The optimal software release policies which minimize a total average software cost of development and maintenance under the constraint of satisfying a software reliability requirement is generally accepted. The Bayesian parametric inference of model using log Poisson execution time employ tool of Markov chain(Gibbs sampling and Metropolis algorithm). In a numerical example by T1 data was illustrated. make out estimating software optimal release time from the maximum likelihood estimation and Bayesian parametric estimation.

Monitoring of Leuconostoc Population During Sauerkraut Fermentation by Quantitative Real-Time Polymerase Chain Reaction

  • Kim, So-Young;Yoo, Ki-Seon;Kim, Yu-Jin;Seo, Eun-Young;Kim, Beom-Soo;Han, Nam-Soo
    • Journal of Microbiology and Biotechnology
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    • v.21 no.10
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    • pp.1069-1072
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    • 2011
  • A real-time PCR assay method was established to monitor Leuconostoc spp. populations via specific amplification of the dextransucrase gene. Quantification of L. mesenteroides B-512F using both genomic DNA and cell suspensions yielded a log-linear correlation spanning approximately 5 log units. By using this method, monitoring changes of Leuconostoc spp. during sauerkraut fermentation was successfully accomplished with accuracy after inoculation of starter and sugars (sucrose and maltose).

토양-휴민의 물리화학적 특성 및 PAHs의 결합 특성 연구

  • Im Dong-Min;Sin Hyeon-Sang
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2006.04a
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    • pp.16-19
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    • 2006
  • Humin is the insoluble fraction of humic materials and play an important roles in the irreversible sorption of hydrophobic organic contaminants onto soil particles. However, there have been limited knowledge about the sorption and chemical properties of humin due to the difficulties in its separation from the inorganic matrix(mainly clays and oxides). In this study, do-ashed humin was isolated from a soil sample after removing free lipid and alkali-soluble humic fractions followed by dissolution of mineral matrix with 2% HF, and characterized by elemental analysis, C-13 NMR spectroscopic method. Sorption behavior of 1-naphthol with humin was also investigated from aqueous solution. C-13 NMR spectra indicate that humin molecules are mainly made up of aliphatic carbon including carbohydrate, methylene chain etc.. Sorption intensity for 1-naphthol was increased as organic carbon content of humin increased and log Koc values for the 1-naphthol sorption were determined to be ${\sim}3.12$

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Synthesis, Protonation Constants and Stability Constants for Transition Metal ions(II) of 1, 15-Bis(2-Hydroxybenzyl)-2, 6, 10, 14-Tetraazapentadecane (1, 15-Bis(2-Hydroxybenzyl)-2, 6, 10, 14-Tetraazapentadecane 리간드합성, 양성자 해리상수 및 전이금속에 대한 안정도 상수결정)

  • Kim, Sun-Deuk;Kim, Jun-Kwang;Lee, Woo-Sik
    • Analytical Science and Technology
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    • v.13 no.6
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    • pp.810-814
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    • 2000
  • The open-chain hexadentate $N_4$, $O_2$ ligands 1, 15-bis(2-hydroxybenzyl)-2, 6, 10, 14-tetraazapentadecane (BSATPD. 4HCl) has been synthesized as its tetrahydro-chloride salt and characterized by EA, IR, NMR, and Mass spectrum. Its protonation constants ($logK_n{^H}$) and stability constants ($logK_{ML}$) for $Cu^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Zn^{2+}$ ions were determined in aqueous solution by potentiometry and compared with those of analogous $N_4$, $O_2$ ligands contain ethtylenic spacers or propylenic spacers, which make six-membered chelate rings between the aliphatic nitrogen atoms.

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Salt Effects on the Critical Micelle Concentration and Counterion Binding of Cetylpyridinium Bromide Micelles

  • Jong Jae Chung;Sang Wook Lee;Joon Ho Choi
    • Bulletin of the Korean Chemical Society
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    • v.12 no.4
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    • pp.411-413
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    • 1991
  • The effects of electrolyte on the critical micelle concentration (cmc) and bromide counterion binding in the micelles of cetylpyridinium bromide (CPB) have been investigated by UV spectroscopy and conductance measurements. Salts used in this study decreased cmc in the order $Cl^-\;<\;Br^-\;<\;NO3^-$ (which parallels the lyotropic series for the inorganic anions) and the effects on cmc followed the equation proposed by Shinoda: log cmc = A - B log (cmc + [NaX]). In the equation, constant B represents the counterion binding to the micelles at cmc and for the micelle of CPB at $25^{\circ}C$, B=80.76%. The association constant for the binding of counterions to long chain cations within micelles was also derived from the cmc values and counterion binding constant to the micelles.

An efficient polygonal chian inersection algorithm (점열 곡선의 꼬임을 효율적으로 찾는 알고리즘)

  • 박상철;신하용;최병규
    • Korean Journal of Computational Design and Engineering
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    • v.4 no.3
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    • pp.190-199
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    • 1999
  • Presented in this paper is an algorithm for finding all intersections among polygonal chains with an O((n+k)·log m) worst-case time complexity, where n is the number of lien segments in the polygonal chains, k is the number of intersections, and m is the number of monotone chains. The proposed algorithm is based on the sweep line algorithm. Unlike the previous polygonal-chain intersection algorithms that are designed to handle special only cases, such as convex polygons or C-oriented polygons, the proposed algorithm can handle arbitrarily shaped polygonal chains having self-intersections and singularities (tangential contact, multiple intersections). The algorithms has been implemented and applied to 1) testing simplicity of a polygon, 2) finding intersections among polygons and 3) offsetting planar point-sequence curves.

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