• 제목/요약/키워드: Molecular dynamic

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A Study on the Air Foil Journal Bearing Analysis with Perturbed Rarefaction Coefficients

  • Lee, Yong-Bok;Park, Dong-Jin;Kim, Chang-Ho;Jang, Gun-Hee
    • KSTLE International Journal
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    • v.7 no.2
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    • pp.27-34
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    • 2006
  • Knudsen number is the ratio of molecular mean free path versus mm thickness and the criterion to determine the flow form. When its value is lower than 0.01, the flow can be assumed to has no slip boundary condition. And in the case that the value is between 0.01 and 10, then the flow has slip boundary condition at both the adjacent walls. The condition of the air flow between the rotating journal and top foil in the air foil bearing is determined by the rotating speed and load, and the Knudsen number is also varied by those values. Because the molecular mean free path is variable to the pressure and temperature, more exact formulation is necessary to understand and analyze the flow regime. In this study, the analysis considering Knudsen number formulated with those variables (pressure, temperature and mm thickness) was executed. The approximate value was examined using the equation to confirm whether the flow has the slip or no-slip boundary condition. From the analytic investigation, it was decided to range approximately 0.01 to 1.0 and the flow can be supposed to have the slip boundary condition. Under the condition of the slip flow, the static characteristics of the air foil bearing were examined using modified Reynolds equations. The results were compared with those considering no slip condition. It shows that the slip condition makes the flow decelerates and the load carrying capacity decreases compared with no slip condition. And as the bearing number and eccentricity ratio increase, the load carrying capacity also increased at both the cases. From this result, it can be supposed that the bearing torque also increases. In the analysis of the dynamic characteristics, the perturbed Knudsen number was taken into consideration. Because the Knudsen number is expressed as the terms of each variable, the perturbed equation can be simply derived. The results of both cases considering and not considering Knudsen number were compared each other. In the case of the direct terms of the stiffness and damping coefficients, the difference between both cases was little and increased as the bearing number and eccentricity ratio increased. And the cross terms have less or more differences.

Synthesis and Characterization of Linear and Branched Copolymers of Poly(ethylene glycol) and $Poly({\varepsilon}-caprolactone)$ (선형 및 분지 구조의 폴리(에틸렌 글리콜)/폴리카프로락톤 공중합체의 합성 및 특성 검토)

  • Hyun Hoon;Kim Moon-Suk;Khang Gil-Son;Rhee John-M.;Lee Hai-Bang
    • Polymer(Korea)
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    • v.30 no.2
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    • pp.146-151
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    • 2006
  • Linear and branched copolymers consisting of poly(ethylene glycol) (PEG) and $Poly({\varepsilon}-caprolactone)$ (PCL) were prepared to compare the characterization of star-shaped copolymers with various molecular architecture. Linear and branched PEG-PCL (1-arm, 2-arm, 4-arm, and 8-arm) copolymers were synthesized by the ring-opening polymerization of ${\varepsilon}-caprolactone$ in the presence of HCl $Et_2O$ as a monomer activator at room temperature. The synthesized copolymers were characterized with $^1H-NMR$, GPC, DSC, and XRD. As a result of the DSC and XRD, each copolymers showed different thermal properties and crystallinity according to the number of ms. The micellar characterization of linear and branched copolymers in an aqueous phase was carried out by using NMR, dynamic light scattering, AM, and fluorescence techniques. The critical micelle concentration (CMC) and diameters of micelles depended on the number of arms. Most micelles exhibited a spherical shape in AFM. In this study, we characterized star-shaped PEG-PCL copolymers and investigated their molecular architecture effect on the various properties. Furthermore, we confirmed that the micelles termed with linear and branched PEG-PCL copolymers have possibility as a potential hydrophobic drug delivery vehicle.

Synthesis and Characterization of Temperature and pH Sensitive Graft Copolymers Based on Pluronic (Pluronic을 기초로 한 온도와 pH에 민감한 그래프트 공중합체의 합성과 특성)

  • Oh, Yeon-Jeong;Lee, Gi-Baek;Park, Sung-Young
    • Polymer(Korea)
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    • v.36 no.2
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    • pp.223-228
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    • 2012
  • Temperature and pH sensitive graft copolymers [Pluronic-$g$-poly(NIPAAm-$co$-MMA), Polymer A] and [Pluronic-$g$-poly( NIPAAm-$co$-MAA), Polymer C] were synthesized by macro radical graft polymerization with $N$-isopropylacrylamide (NIPAAM)/$N,N$-diethylaminoethylmethacrylate (DEAEMA) and $N$-isopropylacrylamide (NIPAAm)/methacrylic acid (MAA) based on Pluronic, respectively. The chemical structure and molecular weight of the graft copolymers was characterized by $^1H$ NMR and gel permeation chromatography. The aqueous solution properties of graft copolymers were measured using a UV-visible spectrophotometer, contact angle and dynamic light scattering equipment with different temperature and pH conditions. The obtained graft copolymers showed a very sensitive phase transition in response to temperature and pH in aqueous media which suggested that the amine group of DEAEMA segment and carboxylic group of MAA had a great influence on the lower critical solution temperatures (LCST) in Polymer A and C, respectively. The graft copolymers can be utilized for drug delivery system and molecular switching applications where responses to temperature and pH changes are relevant.

Preparation and Characterization of Deoxycholic Acid-Conjugated Low Molecular Weight Water-Soluble Chitosan Nanoparticles for Hydrophobic Antifungal Agent Carrier (소수성 항진균제 전달체로 응용하기 위한 데옥시콜릭산이 결합된 저분자량 수용성 키토산 나노입자의 제조와 특성)

  • Choi, Chang-Yong;Jung, Hyun;Nam, Joung-Pyo;Park, Yoon-Kyung;Jang, Mi-Kyeong;Nah, Jae-Woon
    • Polymer(Korea)
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    • v.33 no.4
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    • pp.389-395
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    • 2009
  • To develop the carrier of hydrophobic antifungal agents based on low molecular weight water-soluble chitosan (LMWSC), LMWSC was chemically modified with deoxycholic acid (DA) which is one of the bile acid as a hydrophobic group. The nanoparticles (WSCDA) using DA conjugated LMWSC were characterized using dynamic light scattering (DLS) and transmittance electron microscope (TEM). The particle size of WSCDA ranged from 250 to 350 nm and increased with the number of DA substitution. The loaded itraconazole as an antifungal agent WSCDA nanoparticles (WSCDA-ITCN) were prepared by solvent evaporation method. The drug content and the loading efficiency were investigated approximately $9{\sim}10%$ and $61{\sim}68%$ by UV spectrophotometer, respectively. The release of drug from nanoparticles was slow and showed sustained release characteristics. Based on the results of release study that the higher DA contents in WSCDA, the slower the releasing rate, the WSCDA-ITCN could be used as an excellent antifungal agent.

Establishment of the large-scale longitudinal multi-omics dataset in COVID-19 patients: data profile and biospecimen

  • Jo, Hye-Yeong;Kim, Sang Cheol;Ahn, Do-hwan;Lee, Siyoung;Chang, Se-Hyun;Jung, So-Young;Kim, Young-Jin;Kim, Eugene;Kim, Jung-Eun;Kim, Yeon-Sook;Park, Woong-Yang;Cho, Nam-Hyuk;Park, Donghyun;Lee, Ju-Hee;Park, Hyun-Young
    • BMB Reports
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    • v.55 no.9
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    • pp.465-471
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    • 2022
  • Understanding and monitoring virus-mediated infections has gained importance since the global outbreak of the coronavirus disease 2019 (COVID-19) pandemic. Studies of high-throughput omics-based immune profiling of COVID-19 patients can help manage the current pandemic and future virus-mediated pandemics. Although COVID-19 is being studied since past 2 years, detailed mechanisms of the initial induction of dynamic immune responses or the molecular mechanisms that characterize disease progression remains unclear. This study involved comprehensively collected biospecimens and longitudinal multi-omics data of 300 COVID-19 patients and 120 healthy controls, including whole genome sequencing (WGS), single-cell RNA sequencing combined with T cell receptor (TCR) and B cell receptor (BCR) sequencing (scRNA(+scTCR/BCR)-seq), bulk BCR and TCR sequencing (bulk TCR/BCR-seq), and cytokine profiling. Clinical data were also collected from hospitalized COVID-19 patients, and HLA typing, laboratory characteristics, and COVID-19 viral genome sequencing were performed during the initial diagnosis. The entire set of biospecimens and multi-omics data generated in this project can be accessed by researchers from the National Biobank of Korea with prior approval. This distribution of large-scale multi-omics data of COVID-19 patients can facilitate the understanding of biological crosstalk involved in COVID-19 infection and contribute to the development of potential methodologies for its diagnosis and treatment.

The Contact and Parallel Analysis of SPH Using Cartesian Coordinate Based Domain Decomposition Method (Cartesian 좌표기반 동적영역분할을 고려한 SPH의 충돌 및 병렬해석)

  • Moonho Tak
    • Journal of the Korean GEO-environmental Society
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    • v.25 no.4
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    • pp.13-20
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    • 2024
  • In this paper, a parallel analysis algorithm for Smoothed Particle Hydrodynamics (SPH), one of the numerical methods for fluidic materials, is introduced. SPH, which is a meshless method, can represent the behavior of a continuum using a particle-based approach, but it demands substantial computational resources. Therefore, parallel analysis algorithms are essential for SPH simulations. The domain decomposition algorithm, which divides the computational domain into partitions to be independently analyzed, is the most representative method among parallel analysis algorithms. In Discrete Element Method (DEM) and Molecular Dynamics (MD), the Cartesian coordinate-based domain decomposition method is popularly used because it offers advantages in quickly and conveniently accessing particle positions. However, in SPH, it is important to share particle information among partitioned domains because SPH particles are defined based on information from nearby particles within the smoothing length. Additionally, maintaining CPU load balance is crucial. In this study, a highly parallel efficient algorithm is proposed to dynamically minimize the size of orthogonal domain partitions to prevent excess CPU utilization. The efficiency of the proposed method was validated through numerical analysis models. The parallel efficiency of the proposed method is evaluated for up to 30 CPUs for fluidic models, achieving 90% parallel efficiency for up to 28 physical cores.

Studies on Food Preservation by Controlling Water Activity 1. Measurement of Sorption Isotherm of Dried Filefish Muscle by Equilibration in Dynamic Stream of Conditioned Air (식품보장과 수분활성에 관한 연구 1. 조절기류에 의한 건조말쥐치육의 등온흡습곡선의 측정)

  • HAN Bong-Ho;CHOI Soo-Il
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.14 no.4
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    • pp.189-193
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    • 1981
  • An apparatus for continuous measurements of sorption isotherm of dried food was manufactured to shorten the time required for equilibration. The apparatus was so designed that the temperature, air velocity and relative humidity in the experimental chamber could be controlled. The use of dynamic stream of conditioned air with a velocity of 0.2m/sec, instead of static atmosphere, allowed a faster equilibration of dried filefish muscle at $25^{\circ}C$. The mean time necessary for the equilibration of dried filefish muscle at the water activity of a given state to a higher water activity was about 45 hours. The monolayer moisture content of dried filefish muscle calculated from BET-equation was 0.092 kg water /kg dry matter at $25^{\circ}C$.

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Prediction of Axillary Lymph Node Metastasis in Early Breast Cancer Using Dynamic Contrast-Enhanced Magnetic Resonance Imaging and Diffusion-Weighted Imaging

  • Jeong, Eun Ha;Choi, Eun Jung;Choi, Hyemi;Park, Eun Hae;Song, Ji Soo
    • Investigative Magnetic Resonance Imaging
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    • v.23 no.2
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    • pp.125-135
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    • 2019
  • Purpose: The purpose of this study was to evaluate dynamic contrast-enhanced breast magnetic resonance imaging (DCE-MRI), and diffusion-weighted imaging (DWI) variables, for axillary lymph node (ALN) metastasis in the early stage of breast cancer. Materials and Methods: January 2011-April 2015, 787 patients with early stage of breast cancer were retrospectively reviewed. Only cases of invasive ductal carcinoma, were included in the patient population. Among them, 240 patients who underwent 3.0-T DCE-MRI, including DWI with b value 0 and $800s/mm^2$ were enrolled. MRI variables (adjacent vessel sign, whole-breast vascularity, initial enhancement pattern, quantitative kinetic parameters, signal enhancement ratio (SER), tumor apparent diffusion coefficient (ADC), peritumoral ADC, and peritumor-tumor ADC ratio) clinico-pathologic variables (age, T stage, multifocality, extensive intraductal carcinoma component (EIC), estrogen receptor, progesterone receptor, HER-2 status, Ki-67, molecular subtype, histologic grade, and nuclear grade) were compared between patients with axillary lymph node metastasis and those with no lymph node metastasis. Multivariate regression analysis was performed, to determine independent variables associated with ALN metastasis, and the area under the receiver operating characteristic curve (AUC), for predicting ALN metastasis was analyzed, for those variables. Results: On breast MRI, moderate or prominent ipsilateral whole-breast vascularity (moderate, odds ratio [OR] 3.45, 95% confidence interval [CI] 1.28-9.51 vs. prominent, OR = 15.59, 95% CI 2.52-96.46), SER (OR = 1.68, 95% CI 1.09-2.59), and peritumor-tumor ADC ratio (OR = 6.77, 95% CI 2.41-18.99), were independently associated with ALN metastasis. Among clinico-pathologic variables, HER-2 positivity was independently associated, with ALN metastasis (OR = 23.71, 95% CI 10.50-53.54). The AUC for combining selected MRI variables and clinico-pathologic variables, was higher than that of clinico-pathologic variables (P < 0.05). Conclusion: SER, moderate or prominent increased whole breast vascularity, and peritumor-tumor ADC ratio on breast MRI, are valuable in predicting ALN metastasis, in patients with early stage of breast cancer.

Analysis of a Gas Mask Using CFD Simulation (CFD모사기법을 이용한 가스 여과기 성능 해석)

  • Jeon, Rakyoung;Kwon, Kihyun;Yoon, Soonmin;Park, Myungkyu;Lee, Changha;Oh, Min
    • Korean Chemical Engineering Research
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    • v.57 no.4
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    • pp.475-483
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    • 2019
  • Special chemical warfare agents are lethal gases that attack the human respiratory system. One of such gases are blood agents that react with the irons present in the electron transfer system of the human body. This reaction stops internal respiration and eventually causes death. The molecular sizes of these agents are smaller than the pores of an activated carbon, making chemical adsorption the only alternative method for removing them. In this study, we carried out a Computational Fluid Dynamics simulation by passing a blood agent: cyanogen chloride gas through an SG-1 gas mask canister developed by SG Safety Corporation. The adsorption bed consisted of a Silver-Zinc-Molybdenum-Triethylenediamine activated carbon impregnated with copper, silver, zinc and molybdenum ions. The kinetic analysis of the chemical adsorption was performed in accordance with the test procedure for the gas mask canister and was validated by the kinetic data obtained from experimental results. We predicted the dynamic behaviors of the main variables such as the pressure drop inside the canister and the amount of gas adsorbed by chemisorption. By using a granular packed bed instead of the Ergun equation that is used to model porous materials in Computational Fluid Dynamics, applicable results of the activated carbon were obtained. Dynamic simulations and flow analyses of the chemical adsorption with varying gas flow rates were also executed.

Development and Biogenesis of Peroxisome in Oil-seed Plants (지방 저장 식물의 퍼옥시좀 생성과 발달)

  • Dae-Jae Kim
    • Journal of Life Science
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    • v.33 no.8
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    • pp.651-662
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    • 2023
  • Peroxisomes, known as microbodies, are a class of morphologically similar subcellular organelles commonly found in most eukaryotic cells. They are 0.2~1.8 ㎛ in diameter and are bound by a single membrane. The matrix is usually finely granular, but occasionally crystalline or fibrillary inclusions are observed. They characteristically contain hydrogen peroxide (H2O2) generating oxidases and contain the enzyme catalase, thus confining the metabolism of the poisonous H2O2 within these organelles. Therefore, the eukaryotic organelles are greatly dynamic both in morphology and metabolism. Plant peroxisomes, in particular, are associated with numerous metabolic processes, including β-oxidation, the glyoxylate cycle and photorespiration. Furthermore, plant peroxisomes are involved in development, along with responses to stresses such as the synthesis of important phytohormones of auxins, salicylic acid and jasmonic acids. In the past few decades substantial progress has been made in the study of peroxisome biogenesis in eukaryotic organisms, mainly in animals and yeasts. Advancement of sophisticated techniques in molecular biology and widening of the range of genomic applications have led to the identification of most peroxisomal genes and proteins (peroxins, PEXs). Furthermore, recent applications of proteome study have produced fundamental information on biogenesis in plant peroxisomes, together with improving our understanding of peroxisomal protein targeting, regulation, and degradation. Nonetheless, despite this progress in peroxisome development, much remains to be explained about how peroxisomes originate from the endoplasmic reticulum (ER), then assemble and divide. Peroxisomes perform dynamic roles in many phases of plant development, and in this review, we focus on the latest progress in furthering our understanding of plant peroxisome functions, biogenesis, and dynamics.