• Title/Summary/Keyword: molecular distribution

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Investigation of Thermal Fusion Bonding and Separation of PMMA Substrates by using Molecular Dynamics Simulations (분자동역학을 이용한 PMMA 평판의 열접합 및 분리에 대한 연구)

  • Yi, Taeil
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.17 no.5
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    • pp.111-116
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    • 2018
  • Thermal fusion bonding is a method to enclose open microchannels fabricated on polymer chips for use in lab-on-a-chip (LOC) devices. Polymethyl methacrylate (PMMA) is utilized in various biomedical-microelectromechanical systems (bio-MEMS) applications, such as medical diagnostic kits, biosensors, and drug delivery systems. These applications utilize PMMAs biochemical compatibility, optical transparency, and mold characteristics. In this paper, we elucidate both the conformational entanglement of PMMA molecules at the contact interfacial regime, and the qualitative nature of the thermal fusion bonding phenomena through systematic molecular dynamics simulations.

Transcriptome analysis of internal and external stress mechanisms in Aster spathulifolius Maxim.

  • Sivagami, Jean Claude;Park, SeonJoo
    • Proceedings of the Plant Resources Society of Korea Conference
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    • 2019.04a
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    • pp.35-35
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    • 2019
  • Aster spathulifolius Maxim. is belongs to the Asteraceae family which is distributed only in Korea and Japan. It is recognize as a traditionally medicinal plants and economically valuable in ornamental field. However, among the Asteraceae family, the Aster genus, which is lacks in genomic resources and information of molecular function. Therefore, we used high throughput RNA-sequencing transcriptome data of the A. spathulifolius to know molecular level function. DeNovo assembly produced 98,660 unigene with N50 value 1126 bp. Unigenes was performed to analyses the functional annotation against NCBI database like plant database of nucleotide (Nt) and non-redundant protein (Nr), Pfam, Uniprot, KEGG and Transcriptional factor (TF). In addition, Distribution of SSR markers also analyzed for future perfectives. Further, Comparing with other two Asteraceae family species like, Karelinia caspica and Chrysanthemum morifolium to the A. spathulifolius shows the number of gene that regulated in internal and external stress respectively salt-tolerant and heat and drought stress to understand the molecular basis related to the different environments stress.

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Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation

  • Yeh, In-Chul;Lee, Tae-Geol;Kim, Myung-Soo
    • Bulletin of the Korean Chemical Society
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    • v.15 no.3
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    • pp.241-245
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    • 1994
  • A method has been developed to estimate the kinetic energy release originating from the reverse critical energy in unimolecular ion dissociation. Contribution from the excess energy was estimated by RRKM theory, the statistical adiabatic model and the modified phase space calculation. This was subtracted from the experimental kinetic energy release distribution (KERD) via deconvolution. The present method has been applied to the KERDs in $H_2$, loss from $C_6H_6^+$ and HF loss from ${CH_2CF_2}^+$. In the present formalism, not only the energy in the reaction coordinate but also the energy in some transitional vibrational degrees of freedom at the transition state is thought to contribute to the experimental kinetic energy release. Details of the methods for treating the transitional modes are found not to be critical to the final outcome. For a reaction with small excess energy and large reverse critical energy. KERD is shown to be mainly governed by the reverse critical energy.

Structural Transition of A-Type Zeolite: Molecular Dynamics Study

  • Song, Mee-Kyung;Chon, Hak-Ze
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.255-258
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    • 1993
  • Molecular dynamics (MD) calculations were carried out in order to investigate the effect of MD cell size to predict the melting phenomena of A-type zeolite. We studied two model systems: a pseudocell of $(T_2O_4Na)_n$, (L= 12.264 $^{\AA}$, N= 84) and a true-cell of (SiAlO$_4Na)_n$. (L= 24.528 $^{\AA}$, N= 672), where T is Si or Al. The radial and bond angle distribution functions of T(Si, Al)-O-T(Si, Al) and diffusion coefficients of T and O were reported at various temperatures. For the true-cell model, the melting temperature is below 1500 K and probably around 1000 K, which is about 600-700 K lower than the pseudocell model. Although it took more time (about 30 times longer) to obtain the molecular trajectories of the true-cell model than those of the pseudocell model, the true-cell model gave more realistic structural transition for the A-type zeolite, which agrees with experiment.

Structural properties of β-Fe2O3 nanorods under compression and torsion: Molecular dynamics simulations

  • Kilic, Mehmet Emin;Alaei, Sholeh
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1352-1358
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    • 2018
  • In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.

Newly recorded unarmored dinoflagellates in the family Kareniaceae(Gymnodiniales, Dinophyceae) in brackish and coastal waters of Korea

  • Cho, Minji;Choi, Hojoon;Nam, Seung Won;Kim, Sunju
    • Korean Journal of Environmental Biology
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    • v.39 no.2
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    • pp.236-244
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    • 2021
  • Unarmored dinoflagellates, in the family Kareniaceae, include harmful or toxic bloom-forming species, which are associated with massive fish kills and mortalities of marine organisms worldwide. The occurrence and distribution of the toxigenic species in the family Kareniaceae were investigated in the brackish and coastal waters of Korea between July 2018 and October 2020. During the survey, we collected seven newly recorded species; Karenia papilionacea, Karlodinium digitatum, Karl. veneficum, Karl. zhouanum, Takayama acrotrocha, T. helix, and T. tasmanica. A total of fifteen strains of the seven taxa were successfully established as clonal cultures and examined using LM, SEM, and molecular phylogeny inferred from LSU rDNA sequences. Herein, we present the taxonomic information, morphological features, and molecular phylogenetic positions of the unrecorded dinoflagellate species collected from Korean coastal waters.

Biological Characteristics of Protein Hydrolysates Derived from Yoensan Ogae Meat by Various Commercial Proteases (프로테아제 종류에 따른 이용한 연산 오계육 단백질 가수분해물의 아미노산 및 생리활성 특성)

  • Ha, Yoo Jin;Kim, Joo Shin;Yoo, Sun Kyun
    • Journal of the Korean Applied Science and Technology
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    • v.36 no.3
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    • pp.1018-1027
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    • 2019
  • Natural-derived protein-derived low molecular weight peptides have been known to have physiological activities such as antioxidant, hypertension relief, immunomodulation, pain relief and antimicrobial activity. In this study, the low-molecular peptides were produced using commercial proteases (alcalase, bromelain, flavourzyme, neutrase, papain, protamex), and the antioxidant activity (DPPH scavenging activity, superoxide radical scavenging activity, hydroxy radical scavenging activity, and metals chelation capacity), constituent amino acid and molecular weight of the peptide were analyzed. Enzyme reaction was performed by adding 50 g of chopped Ogae meat slurry and 2%(w/v) protein enzyme into the enzyme reactor for 2 h at a pH of 6 and a temperature of $60^{\circ}C$. The degree of hydrolysis(%) after the reaction ranged from $36.65{\pm}4.10%$ to $70.75{\pm}5.29%$. The highest degree of hydrolysis of protamex was 46.3%, and the highest value of papain hydrolysate was $70.75{\pm}5.29%$. On the other hand, alcalase hydrolysate showed the lowest value of $36.65{\pm}4.10%$. Bromelain-treated low molecular weight peptides showed the highest DPPH radical scavenging activity and the lowest scavenging activity of alcalase-treated peptides. Superoxide radical scavenging activity showed that bromelain treated low molecular peptide showed the highest radical scavenging activity of 50% or more. Hydroxyl radical scavenging activity ranged from about 16.73 to 69.16%, the highest among bromelain-treated low molecular peptides. $Fe^{2+}$ chelation abilities showed a distribution between about 17.85 to 47.84%. The chelation capacity of the hydrolysates was not significantly different without any difference to the enzymes used. The results of amino acid analysis showed differences between hydrolysates of alcalase, bromelain, flavourzyme, neutrase, papain, and protamex enzymes. The most amino acid was glutamic acid. The molecular weight distribution of the enzyme hydrolyzates was in the range of 300-2,000 Da, although the molecular weight distribution differed according to the treated enzymes.

Analysis of Insulating Reliability in Epoxy Composites using Weibull Distribution Equation (와이블 분포식을 이용한 에폭시 복합체의 절연 신뢰도 분석)

  • Park, No-Bong;Lim, Jung-Kwan;Park, Yong-Pil
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2003.05a
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    • pp.813-816
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    • 2003
  • The dielectric breakdown of epoxy composites used for transformers was experimented and then its data were applied to Weibull distribution probability. First of all, speaking of dielectric breakdown properties, the more hardener increased, the stronger breakdown strength became at low temperature because of cross-linked density by the virtue of ester radical. The breakdown strength of specimens with filler was lower than it of non-filler specimens because it is believed that the adding filler forms interface and charge is accumulated in it, therefore the molecular motility is raised and the electric field is concentrated. In the case of filled specimens with treating silane, the breakdown strength become much higher. Finally, according to Weibull distribution analysis, reducing breakdown probability of equipment insulation lower than 0.1 % level requires the allowable field intensity values to be kept under 21.5 MV/cm.

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"25-kDa Thiol Peroxidase" (TPx II) Acts as a "Housekeeping" Antioxidant

  • Cha, Mee-Kyung;Kim, II-Han
    • BMB Reports
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    • v.32 no.5
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    • pp.506-510
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    • 1999
  • The newly-found thiol peroxidases (TPx) with a conserved cysteine as the primary site of catalysis are capable of catalyzing the thiol-dependent reduction of peroxides. However, the cellular distributions of the isoforms remain poorly understood. As a first step in understanding the physiological functions of the TPx isoforms, we examined the cellular and tissue distribution of the isoenzymes in various bovine tissues. The tissue distributions of TPx isoenzymes indicate that two types of TPx are widely distributed throughout all of the tested tissues. These two forms are the predominant proteins, with levels of the proteins being quite different from each other. The level of predominant TPx proteins, named type II (TPx II) and type V (TPx V), appeared to be very different with respect to tissue type. The cellular distribution and level of TPx isoenzymes also varied with the types of cells. Immunoblot analysis of the mitochondrial and cytosol fractions from various tissues indicates that TPx III is a unique mitochondrial form. Based on the different tissue and cellular distribution of TPx isoenzymes, we discuss the physiological function of TPx isoenzymes, especially the ubiquitous TPx II.

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Analysis of Insulating Reliability in Epoxy Composites Using Weibull Distribution Equation (와이블 분포식을 이용한 Epoxy 복합체의 절연 신뢰도 해석)

  • 임중관;박용필;이준웅
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.14 no.8
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    • pp.647-651
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    • 2001
  • The dielectric breakdown of epoxy composites used for transformers was experimented and then its data were applied to Weibull distribution probability. First of all, speaking of dielectric breakdown properties, the more hardener increased, the stronger breakdown strength became at low temperature because of cross-linked density by the virtue of ester radical. The breakdown strength of specimens with filler was lower than it of non-filler specimens because it is believed that the adding filler forms interface and charge is accumulated in it, therefore the molecular motility is raised and the electric filed is concentrated. In the case of filled specimens with treating silane, the breakdown strength become much higher. Finally, from the analysis of weibull distribution, it was confirmed that to low allowed breakdown probability under 0,.1%, the applied field value needed to be under 21.5MV/cm.

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