• Title/Summary/Keyword: Chemistry domain

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Computer Model for Fibrinogen Adsorption on Polyurethane Surface

  • Kim, Jong-Won;Shin, In-Sun;Ryu, Gyu-Ha;Lee, Kyu-Back;Han, Dong-Keun;Kim, Young-Ha;Min, Byoung-Goo
    • Journal of Biomedical Engineering Research
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    • v.15 no.1
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    • pp.51-56
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    • 1994
  • Protein adsorption on the polyurethane surface was modelled by a modified random sequential adsorption(RSA) process. In this model, polyurethane surface was modelled as a mixed domain of hydrophobic and hydrophilic parts which was implemented by a 2 dimensional $150{\times}150$ lattice in the computer. Protein adsorption was simulated using a small box which represents a particle of the protein, and polyurethane lattice by considering their hydrophobic interaction. In order to validate the model, we perfonned fibrinogen adsorption on polyurethane surface. Isotherms of the adsorbed protein were calculated and compared to the experimental data. The protein adsorption on the polyurethane surface could be well described using this computer model.

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Efficiency of Lamarckian Genetic Algorithm in Molecular Docking of Phenylaminopyrimidine (PAP) Derivatives: A Retrospect Study

  • Ratilla, Eva Marie A.;Juan, Amor A. San
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2004.11a
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    • pp.203-209
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    • 2004
  • Molecular docking using Lamarckian genetic algorithm of AutoDock 3.0 (AD3) was employed to understand in retrospect the selectivity of phenylaminopyrimidine (PAP) derivatives against the kinase domain c-Abl, implicated in chronic myelogenous leukemia (CML). The energetics of protein-ligand complex was scored using AD3 to identify active drug conformations while Ligplot and ligand protein contact (LPC) programs were used to probe schematic molecular recognition of the bound inhibitor to the protein. Results signify correlation between model and crystal structures of STI-571 compound or Imatinib (IM), a PAP derivative and now clinically proven for its efficacy in CML. A prospect active form Abl inhibitor scaffold from matlystatin class of compounds will be published elsewhere.

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Characterization for Blend of Siloxane Prepolymer onto Epoxy Resin (Siloxane Prepolymer의 에폭시수지 블렌드 특성)

  • Kim, Kong-Soo;Park, Jun-Ha;Shin, Jae-Sup;Kim, Yeong-Jun
    • Elastomers and Composites
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    • v.32 no.3
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    • pp.179-185
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    • 1997
  • In solution and melting state, SiOD prepolymer was prepared by cured excess DDM with epoxy-terminated siloxane oligomers to control phase separation when DGEBA was blended with PDMS. DGEBA/SiOD prepolymer was also cured at $150^{\circ}C$ for 3hrs. Mechanical and thermal properties of the cured prepolymer specimen were investigated. DGEBA/SiOD60 specimen blended SiOD prepolymer had the best flexural strength, modulus and impact strength. To show crack-formation procedure to morphology, DGEBA/DDM neat specimen was flowed homogeneously in direction of crack energy, whereas DGEBA/SiOD$(30{\sim}60)$ specimen showed heterogeneously dispersed particles and scattered domain of crack energy, but DGEBA/SiOT specimen showed homogeneous phase.

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Multiple Unstable Modes in the Reacting Mixing Layer (반응혼합층의 복수 불안정성 모드)

  • Sin, Dong-Sin
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.20 no.2
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    • pp.616-623
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    • 1996
  • This paper investigates the linear stability of reacting mixing layers with special emphasis on the existence of multiple unstable modes. The governing equations for laminar flows are from two-dimensional compressible boundary-layer equations. The chemistry is a finite rate single step irreversible reaction with Arrhenius kinetics. For the incompressible reacintg mixing layer with variable density. A necessary condition for instability has been derived. The condition requires that the angular momentum, not the vorticity, to have a maximum in the flow domain. New inflectional modes of instability are found to exist in the outer part of the mixing layer. For the compressible reacting mixing layer, supersonic unstable modes may exist in the abscence of a generalized inflection point. The outer modes at high Mach numbers in the reacting mixing layer are continuations of the inflectional modes of low Mach number flows. However, the generalized inflection point is less important at supersonic flows.

Carbonate Crystal Growth Controlled by Interfacial Interations of Artifical Cell Membranes

  • Goh, Dai-Young;Ahn, Dong-June
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.2 no.2
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    • pp.109-112
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    • 1997
  • Morphology of carbonate crystals grown on the surface of artificial cell membranes was controlled by changing the interfacial chemistry. For octadecyltriethoxysilane (OTE) films with terminal methyl groups interacting little with an aqueous calcium carbonate solution calcite (104) crystals were formed. Polymerized pentacosadiynoic acid (PDA) films with terminal carboxylic acid groups induced deposition of calcite (012) crystals aligned along with each other within a polymer domain. On the other hand, stearyl alcohol (StOH) films with terminal hydroxyl groups induced deposition of aragonite crystals. When PDA was mixed with StOH, the 8:1 PDA:StOH (molar ratio) film produced dominating calcite (012) crystals without any crystal alignment, and the 4:1 mixture film produced minor calcite (012) crystals and major aragonite crystals. For the 2:1, 1:1, 1:2, and 1:4 mixture films, aragonite crystals were dominating. Hence, it is found that the chemical composition at the interface plays a very important role in controlling the morphology of deposited carbonate crystals.

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An Implementation of the Adaptive Ray Tracing Method in the Athena Code

  • Kim, Jeong-Gyu;Kim, Woong-Tae;Ostriker, Eve C.
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.50.1-50.1
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    • 2016
  • The incorporation of radiation from massive stars is essential for modeling the dynamics and chemistry of star-forming clouds, yet it is a computationally demanding task for three-dimensional problems. We describe the implementation and tests of radiative transfer module due to point sources on a three-dimensional Cartesian grid in the Eulerian MHD code Athena. To solve the integral form of the radiation transfer equation, we adopt a widely-used long characteristics method with spatially adaptive ray tracing in which rays are split when sampling of cells becomes coarse. We use a completely asynchronous communication pattern between processors to accelerate transport of rays through a computational domain, a major source of performance bottleneck. The results of strong and weak scaling tests show that our code performs well with a large number of processors. We apply our radiation hydrodynamics code to some test problems involving dynamical expansion of HII regions.

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Expression of Recombinant HBV Pol Proteins in HepG2 Cells

  • Cho, Ginam;Na, Seun-Gon;Suh, Se-Won;Jung, Gu-Hung
    • BMB Reports
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    • v.33 no.6
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    • pp.440-447
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    • 2000
  • In this study HepG2 cells were used to express and purify HBV pol proteins. In order to facilitate purification of HBV pol proteins, HBV pol and its deletion mutants were fused to MBP (Maltose Binding Protein). As a result we successfully expressed and partially purified both wild type and mutant recombinant HBV pol proteins by using an amylose resin and anti-MBP antibody. In the case of wild type, the anti-MBP antibody detected three bands. One was full-length and the others were generated by proteolysis of the terminal domain region. The expressed MBP/POL proteins were localized both in the cytoplasm and in the perinuclear region. The purified proteins had polymerase activity toward an exogenous homo-polymer template. The MBP/POL protein also had DNA synthesis activity in vivo, since the MBP/POL expression construct was able to complement a HBV polymerase mutant in trans.

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Analysis of the Level of Mathematical Concepts in Middle School Science Textbooks and Students' Cognitive Levels: Focused on Chemistry and Biology of the 2015 Revised Curriculum (중학교 과학 교과서에서 요구하는 수학 관련 과학 개념의 수준 및 학생들의 인지 수준 분석: 2015 개정 교육 과정의 화학과 생물을 중심으로)

  • Heesun Yang;Hyang-rae Cho;Seong-Joo Kang
    • Journal of Science Education
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    • v.48 no.1
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    • pp.15-30
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    • 2024
  • This study aimed to analyze students' cognitive levels and the cognitive demands of mathematical concepts related to science to understand why students struggle to comprehend scientific concepts and tend to avoid learning them. Initially, the mathematics and science curricula of the 2015 revised curriculum were examined to extract learning elements related to mathematics within middle school science content. The Curriculum Analysis Taxonomy (CAT) was then employed to analyze the cognitive levels required by the learning content. In the domain of chemistry, among a total of 20 learning elements related to mathematics, 12 required an understanding at the level of initial formal manipulation (3A), while 3 necessitated comprehension at the level of later formal manipulation (3B). It was noted that cognitive logic types such as proportional reasoning, mathematical manipulation, and measurement skills were prominently employed in elements corresponding to both 3A and 3B. As for biology, out of 7 learning elements related to mathematics, 3 required an understanding at the level of initial formal manipulation (3A), and 2 necessitated comprehension at the level of later formal manipulation (3B). Elements corresponding to both 3A and 3B in biology predominantly involved correlational logic, indicating a somewhat different cognitive challenge compared to the domain of chemistry. Considering that the average percentage of middle school students capable of formal thinking, as analyzed through the GALT short form, was 12.1% for the first year, 16.6% for the second year, and 29.3% for the third year, it can be concluded that the cognitive demands of mathematics-related chemistry and biology learning content are relatively high compared to students' cognitive levels.

Thermal Properties and Molecular Weight Variations due to Thermal History in Segmented Polyurethane Copolymer Blends (세그먼트된 폴리우레탄 블렌드의 열이력에 따른 열적 성질과 분자량 변화)

  • Cha, Yoon-Jong;Park, Dae-Woon;Kim, Hak-Lim;Lee, Han-Sup;Mah, Souk II;Choe, Soonja
    • Applied Chemistry for Engineering
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    • v.10 no.1
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    • pp.35-40
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    • 1999
  • The variations of the glass transition, melting peaks, molecular weight and its distribution (polydispersity index: PI) due to the annealing temperature and time have been investigated using the thermoplastic segmented polyurethanes (TPUs) and its blends based on the contents of hard segment. The position of the melting peak and its magnitude have been increased with the annealing temperature and time. This may be arised from the rearrangement of the microdomain structure due to the long-range or short-range segmental motion, the order-disorder transition of non-crystalline microphase, the variation of the domain size or the degree of disorder of crystalline structure by given different thermal histories. The annealing temperature and time affected the molecular weights and polydispersity : the number and weight average molecular weights were increased, while the polydispersity index (PI) deceased at certain temperatures : for TPU-35 at $135^{\circ}C$, for TPU-44 at $170^{\circ}C$ and for TPU-53 at $180^{\circ}C$. The temperatures which give the variations in molecular weights and in PIs are consistent with the annealing temperatures of which $T_3$ solely exists for each sample. Thus it is suggested that the chain dissosiation and recombination simultaneously occur at the above mentioned temperature for each sample.

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A Study on the Properties of LDPE/LLDPE blends Prepared by Compositional Quenching Process (Compositional Quenching 공정에 의한 LDPE/LLDPE 블렌드의 물성에 관한 연구)

  • Cho, Soo-Min;Lee, Youngchul;Hwang, Seok-Ho;Lee, Sang-Won;Kim, Su-Kyung
    • Applied Chemistry for Engineering
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    • v.7 no.3
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    • pp.504-510
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    • 1996
  • Low-density polyethylene(LDPE)/Linear low-density polyethylene(LLDPE) blends were prepared by the compositional quenching process, a new morphology control method. The blends were characterized in terms of melting and crystallization behavior and mechanical properties. The results were compared with those of mechanically blended and solution blended samples. From DSC experiments, it was found that the melting temperatures and crystallization temperatures of the blends were dependent on the blending methods. In thermal property, LDPE/LLDPE blends prepared by compositional quenching process were similar to the blends prepared by solution blending but different from the blends prepared by mechanical blending. This result is explained to be due to the domain size dispersed in the matrix. The elongation-at-break and tensile strength of the samples blended by compositional quenching showed similar to those of the samples blended by solution blending method but larger than those of samples prepared by mechanical blending. Also, the Young's modulus showed the same trends as elongation-at-break. The tensile strength of the blends prepared by compositional quenching was not as high as the samples prepared by the other two blending methods.

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