• Title/Summary/Keyword: Molecular dynamic

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Rheological Properties of Dandelion Root Concentrates by Extraction Solvents

  • Lee, Ok-Hwan;Kang, Suk-Nam;Lee, Boo-Yong
    • Food Science and Biotechnology
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    • v.15 no.1
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    • pp.33-38
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    • 2006
  • This study was performed to provide basic rheological data of dandelion root concentrates in order to predict their processing aptitude and usefulness as functional foods material. The hot water and 70% ethanol extracts of dandelion root were concentrated at 5, 20, and 50 Brix, and their static viscosity, dynamic viscosity, and Arrhenius plots were investigated. Almost all hot water concentrates showed the typical flow properties of a pseudoplastic fluid, but evaluation using the power law model indicated that the 70% ethanol concentrates showed a flow behavior close to a Newtonian fluid. The apparent viscosity of hot water and 70% ethanol concentrates decreased with increasing temperature. Yield stresses of hot water and 70% ethanol concentrates by Herschel-Bulkley model application were in the range of 0.026 - 1.368 Pa and 0.022 - 0.238 Pa, respectively. The effect of temperature and concentration on the apparent viscosity was examined by Arrhenius equation. The activation energies of hot water and 70% ethanol concentrates were in the range of $8.762-23.778{\times}10^3\;J/mol{\cdot}kg$ and $3.217-20.384{\times}10^3\;J/mol{\cdot}kg$ with increasing concentration, respectively. Storage (G') and loss (G") moduli were generally increased with increasing frequency. For the 70% ethanol concentrates, G" predominated over G' at all applied frequencies and so they showed the typical flow behavior of a low molecular solution. However, for the hot water concentrates, G' predominated over G" at more than 1.9 rad/sec (cross-over point) and so they showed the typical flow behavior of a macromolecular solution.

A Study on the Chemical Warfare Agents Dispersion Modelling in a Naturally Ventilated Indoor System (자연환기상태 실내공간에서의 화학작용제 확산 모델링 연구)

  • Kye, Young-Sik;Chung, Woo-Young;Kim, Yong-Joon
    • Journal of the Korea Institute of Military Science and Technology
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    • v.11 no.4
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    • pp.133-140
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    • 2008
  • The purpose of this study is to provide response methods to minimize the damage from chemical terrorism in a naturally ventilated indoor system using several types of dispersion simulations. Three chemical warfare agents such as sarin(GB), phosgene and chlorine gas which have high potential to be used in terror or to be involved with accidents were selected in this simulation. Fire dynamic simulation based on Large Eddy Simulation which is effective because of less computational effort and detailed expression of the dispersion flow was adopted to describe the dispersion behavior of these agents. When the vent speed is 0.005m/s, the heights of 0.1 agent mass fraction are 0.9m for sarin, 1.0m for phosgene and 1.1m for chlorine gas, and the maximum mass fraction are 0.27 for all three agents. However, when the vent speed is increased to 0.05m/s, the heights of 0.1 agent mass fraction become 1.6m for all three agents and maximum mass fraction inside the room increase to 0.70 for sarin, 0.58 for phosgene and 0.53 for chlorine gas. It is shown that molecular weight of the agents has an important role for dispersion, and it is important to install ventilation system with height less than 1.6m to minimize the damage from chemical toxicity.

Numerical Simulation far the Non-Spherical Aggregation of Charged Particles (하전 입자의 비구형 응집 성장에 대한 수치적 연구)

  • Park, Hyeong-Ho;Kim, Sang-Su;Jang, Hyeok-Sang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.26 no.2
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    • pp.227-237
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    • 2002
  • A numerical technique for simulating the aggregation of charged particles was presented with a Brownian dynamic simulation in the free molecular regime. The Langevin equation was used for tracking each particle making up an aggregate. A periodic boundary condition was used for calculation of the aggregation process in each cell with 500 primary particles of 16 nm in diameter. We considered the thermal force and the electrostatic force for the calculation of the particle motion. The electrostatic force on a particle in the simulation cell was considered as a sum of electrostatic forces from other particles in the original cell and its replicate cells. We assumed that the electric charges accumulated on an aggregate were located on its center of mass, and aggregates were only charged with pre-charged primary particles. The morphological shape of aggregates was described in terms of the fractal dimension. In the simulation, the fractal dimension for the uncharged aggregate was D$\_$f/ = 1.761. The fractal dimension changed slightly for the various amounts of bipolar charge. However, in case of unipolar charge, the fractal dimension decreased from 1.641 to 1.537 with the increase of the average number of charges on the particles from 0.2 to 0.3 in initial states. In the bipolar charge state, the average sizes of aggregates were larger than that of the uncharged state in the early and middle stages of aggregation process, but were almost the same as the case of the uncharged state in the final stage. On the other hand, in the unipolar charge state, the average size of aggregates and the dispersion of particle volume decreased with the increasing of the charge quantities.

[Retraction]Size measurement and characterization of ceria nanoparticles using asymmetrical flow field-flow fractionation (AsFlFFF)

  • Kim, Kihyun;Choi, Seong-Ho;Lee, Seungho;Kim, Woonjung
    • Analytical Science and Technology
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    • v.32 no.5
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    • pp.173-184
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    • 2019
  • As the size of semiconductors becomes smaller, it is necessary to perform high precision polishing of nanoscale. Ceria, which is generally used as an abrasive, is widely used because of its uniform quality, but its stability is not high because it has a high molecular weight and causes agglomeration and rapid precipitation. Such agglomeration and precipitation causes scratches in the polishing process. Therefore, it is important to accurately analyze the size distribution of ceria particles. In this study, a study was conducted to select dispersants useful for preventing coagulation and sedimentation of ceria. First, a dispersant was synthesized and a ceria slurry was prepared. The defoamer selection experiment was performed in order to remove the air bubbles which may occur in the production of ceria slurry. Dynamic light scattering (DLS) and asymmetrical flow field-flow fractionation (AsFlFFF) were used to determine the size distribution of ceria particles in the slurry. AsFlFFF is a technique for separating nanoparticles based on sequential elution of samples as in chromatography, and is a useful technique for determining the particle size distribution of nanoparticle samples. AsFlFFF was able to confirm the presence of a little quantities of large particles in the vicinity of 300 nm, which DLS can not detect, besides the main distribution in the range of 60-80 nm. AsFlFFF showed better accuracy and precision than DLS for particle size analysis of a little quantities of large particles such as ceria slurry treated in this study.

Associations of Ubiquitin-Specific Protease Genes with Resilience and Social Anxiety in Healthy Youths

  • Seo, Jun Ho;Park, Chun Il;Kim, Se Joo;Kang, Jee In
    • Anxiety and mood
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    • v.15 no.2
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    • pp.122-126
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    • 2019
  • Objective : Dynamic proteolysis, through the ubiquitin-proteasome system, is an important molecular mechanism for the constant regulation of synaptic plasticity and stress responses in humans. In this study, we examined whether genetic variants in the ubiquitin-specific peptidase (USP) genes were associated with psychological traits of resilience and susceptibility to neuropsychiatric disorders for each gender. Methods : A total of 344 Korean healthy youths (190 males, 154 females) were included in the study. A genotyping of rs2241646 of USP2 and rs346006 of USP46 was performed. The Connor-Davidson Resilience Scale and Brief Fear of Negative Evaluation Scale were administered for measuring trait resilience and social anxiety, respectively. The genetic associations of the USP variants were tested using multiple analyses of covariance with psychological traits as dependent variables after controlling for age in each gender. Results : For USP2 rs2241646, women with the TT genotype showed significantly higher resilience and lower social anxiety, as compared to those carrying the C allele. There were no associations between USP46 rs346005 and the psychological traits in both genders. Conclusions : The present study showed a possible genetic association between the USP2 rs2241646 and stress resilience and trait anxiety in women. The findings suggest that ubiquitin-proteasome system may be related to the resilience and susceptibility to stress-related neuropsychiatric disorders such as anxiety disorders, possibly through the regulation of dynamic proteolysis responses to stress.

An Optimized Method for the Construction of a DNA Methylome from Small Quantities of Tissue or Purified DNA from Arabidopsis Embryo

  • Yoo, Hyunjin;Park, Kyunghyuk;Lee, Jaehoon;Lee, Seunga;Choi, Yeonhee
    • Molecules and Cells
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    • v.44 no.8
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    • pp.602-612
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    • 2021
  • DNA methylation is an important epigenetic mechanism affecting genome structure, gene regulation, and the silencing of transposable elements. Cell- and tissue-specific methylation patterns are critical for differentiation and development in eukaryotes. Dynamic spatiotemporal methylation data in these cells or tissues is, therefore, of great interest. However, the construction of bisulfite sequencing libraries can be challenging if the starting material is limited or the genome size is small, such as in Arabidopsis. Here, we describe detailed methods for the purification of Arabidopsis embryos at all stages, and the construction of comprehensive bisulfite libraries from small quantities of input. We constructed bisulfite libraries by releasing embryos from intact seeds, using a different approach for each developmental stage, and manually picking single-embryo with microcapillaries. From these libraries, reliable Arabidopsis methylome data were collected allowing, on average, 11-fold coverage of the genome using as few as five globular, heart, and torpedo embryos as raw input material without the need for DNA purification step. On the other hand, purified DNA from as few as eight bending torpedo embryos or a single mature embryo is sufficient for library construction when RNase A is treated before DNA extraction. This method can be broadly applied to cells from different tissues or cells from other model organisms. Methylome construction can be achieved using a minimal amount of input material using our method; thereby, it has the potential to increase our understanding of dynamic spatiotemporal methylation patterns in model organisms.

DIAGNOSTICS OF PLASMA INDUCED IN Nd:YAG LASER WELDING OF ALUMINUM ALLOY

  • Kim, Jong-Do;Lee, Myeong-Hoon;Kim, Young-Sik;Seiji Katayama;Akira Matsunawa
    • Proceedings of the KWS Conference
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    • 2002.10a
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    • pp.612-619
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    • 2002
  • The dynamic behavior of Al-Mg alloys plasma was very unstable and this instability was closely related to the unstable motion of keyhole during laser irradiation. The keyhole fluctuated both in size and shape and its fluctuation period was about 440 ${\mu}{\textrm}{m}$. This instability has been estimated to be caused by the evaporation phenomena of metals with different boiling point and latent heats of vaporization. Therefore, the authors have conducted the spectroscopic diagnostics of plasma induced in the pulsed YAG laser welding of Al-Mg alloys in air and argon atmospheres. In the air environment, the identified spectra were atomic lines of Al, Mg, Cr, Mn, Cu, Fe and Zn, and singly ionized Mg line, as well as strong molecular spectrum of AlO, MgO and AIH. It was confirmed that the resonant lines of Al and Mg were strongly self-absorbed, in particular in the vicinity of pool surface. The self-absorption of atomic Mg line was more eminent in alloys containing higher Mg. These facts showed that the laser-induced plasma was relatively a low temperature and high density metallic vapor. The intensities of molecular spectra of AlO and MgO were different each other depending on the power density of laser beam. Under the low power density irradiation condition, the MgO band spectra were predominant in intensity, while the AlO spectra became much stronger in higher power density. In argon atmosphere the band spectra of MgO and AlO completely vanished, but AlH molecular spectra was detected clearly. The hydrogen source was presumably the hydrogen solved in the base Metal, absorbed water on the surface oxide layer or H$_2$ and $H_2O$ in the shielding gas. The temporal change in spectral line intensities was quite similar to the fluctuation of keyhole. The time average plasma temperature at 1 mm high above the surface of A5083 alloy was determined by the Boltzmann plot method of atomic Cr lines of different excitation energy. The obtained electron temperature was 3, 280$\pm$150 K which was about 500 K higher than the boiling point of pure aluminum. The electron number density was determined by measuring the relative intensities of the spectra1lines of atomic and singly ionized Magnesium, and the obtained value was 1.85 x 1019 1/㎥.

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A Computational Mineralogy Study of the Crystal Structure and Stability of Aluminum Silicate (Al2SiO5) Minerals (알루미늄 규산염(Al2SiO5) 광물의 결정구조와 안정성에 대한 계산광물학 연구)

  • Kim, Juhyeok;Son, Sangbo;Kwon, Kideok D.
    • Journal of the Mineralogical Society of Korea
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    • v.31 no.1
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    • pp.13-22
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    • 2018
  • Aluminum silicates ($Al_2SiO_5$) undergo phase transitions among kyanite, andalusite, and sillimanite depending on temperature and pressure conditions. The minerals are often used as an important indicator of the degree of metamorphism for certain metamorphic rocks. In this study, we have applied classical molecular dynamics (MD) simulations and density functional theory (DFT) to the aluminum silicates. We examined the crystal structures as a function of applied pressure and the corresponding stabilities based on calculated enthalpies at each pressure. In terms of the lattice parameters, both methods showed that the volume decreases as the pressure increases as observed in the experiment. In particular, DFT results differed from experimental results by much less than 1%. As to the relative stability, however, both methods showed different levels of accuracy. In the MD simulations, a transition pressure at which the relative stability between two minerals reverse could not be determined because the enthalpies were insensitive to the applied pressure. On the other hand, in DFT calculations, the relative stability relation among the three minerals was consistent with experiment, although the transition pressure was strongly dependent on the choice of the electronic exchange-correlation functional.

Current Status of the Synchrotron Small-Angle X-ray Scattering Station BL4C1 at the Pohang Accelerator Laboratory

  • Jorg Bolze;Kim, Jehan;Huang, Jung-Yun;Seungyu Rah;Youn, Hwa-Shik;Lee, Byeongdu;Shin, Tae-Joo;Moonhor Ree
    • Macromolecular Research
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    • v.10 no.1
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    • pp.2-12
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    • 2002
  • The small-angle X-ray scattering (SAXS) beamline BL4C1 at the 2.5 GeV storage ring of the Pohang Accelerator Laboratory (PAL) has been in its first you of operation since August 2000. During this first stage it could meet the basic requirements of the rapidly growing domestic SAXS user community, which has been carrying out measurements mainly on various polymer systems. The X-ray source is a bending magnet which produces white radiation with a critical energy of 5.5 keV. A synthetic double multilayer monochromator selects quasi-monochromatic radiation with a bandwidth of ca. 1.5%. This relatively low degree of monochromatization is sufficient for most SAXS measurements and allows a considerably higher flux at the sample as compared to monochromators using single crystals. Higher harmonics from the monochromator are rejected by reflection from a flat mirror, and a slit system is installed for collimation. A charge-coupled device (CCD) system, two one-dimensional photodiode arrays (PDA) and imaging plates (IP) are available its detectors. The overall performance of the beamline optics and of the detector systems has been checked using various standard samples. While the CCD and PDA detectors are well-suited for diffraction measurements, they give unsatisfactory data from weakly scattering samples, due to their high intrinsic noise. By using the IP system smooth scattering curves could be obtained in a wide dynamic range. In the second stage, stating from August 2001, the beamline will be upgraded with additional slits, focusing optics and gas-filled proportional detectors.

Synthesis and Curing Behaviors of Polyisoimide Oligomers with Ethynyl End Groups (Ethynyl 말단기를 갖는 Polyisoimide 올리고머의 합성 및 이들의 경화거동에 관한 연구)

  • Choi, Seok Woo;Kim, Bo Ock;Kim, Ji-Heung;Nam, Sung Woo;Jeon, Boong Soo;Kim, Young Jun
    • Polymer(Korea)
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    • v.38 no.6
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    • pp.774-781
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    • 2014
  • Acetylenic or phenylethynyl end-capped polyisoimide oligomers ($M_w$ 2500 g/mol, 5000 g/mol) based upon 4,4'-diamino diphenyl ether (4,4'-ODA)/4,4'-oxydiphthalic anhydride (ODPA) and 4,4'-ODA/3,3',4,4'-benzophenone tetracarboxylic acid dianhydride (BTDA) were synthesized by using 4-ethynylaniline (4-EA) or 4-phenylethynyl phthalic anhydride (4-PEPA) as an end capper. The incorporation of ethynyl groups were confirmed by FTIR spectroscopy. The isomerization temperature was influenced by molecular weight as well as the backbone structure of polyisoimides oligomers. Thus, polyisoimide oligomers with molecular weight of 2500 g/mol was found to be imidized at temperature $10^{\circ}C$ lower than that for the oligomers with molecular weight of 5000 g/mol. The crosslinking reaction of ethynyl groups occurred at a higher temperature than that for the isoimide/imide isomerization reaction. These two reactions were totally or partially overlapped on the DSC thermograms for the polyisoimide oligomer end-capped with 4-EA. Kinetics of thermal imidization and crosslinking reactions for the 4,4'-ODA/ODPA polyisoimide oligomers end-capped with 4-PEPA were investigated by performing dynamic DSC experiments at heating rate of $10^{\circ}C/min$. The activation energy and pre-exponential factors were 141 kJ/mol and $1.45{\times}10^{13}min^{-1}$ for the imidization reaction and 177 kJ/mol and $2.90{\times}10^{13}min^{-1}$ for the crosslinking reaction, respectively.