• 제목/요약/키워드: molecular processes

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역삼투압 분리막 연구에서의 분자 전산모사 응용 (Application of Molecular Simulation in Reverse Osmosis Membrane Research)

  • 이태경;남상용
    • 공업화학
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    • 제33권6호
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    • pp.551-556
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    • 2022
  • 분리막을 활용한 수처리 공정을 통해 얻어진 담수된 물은 전 세계적인 물 부족 문제를 해결해 줄 수 있는 유망한 기술로 많은 주목을 받고 있다. 오늘날 담수화에 가장 널리 활용되고 있는 역삼투압 분리막 기반 공정은 지구상에 풍부한 바닷물을 담수화하는 기술이기 때문에 산업적으로도 그 잠재성이 매우 풍부하다. 이러한 담수 공정 성능을 향상시키기 위해서는 분리막의 역삼투압 메커니즘을 원자/분자 수준에서 이해할 필요가 있다. 본 총설에서는 오늘날 소재 연구에 있어 중요한 역할을 담당하고 있는 분자 전산모사에 대한 소개와 함께 역삼투압 분리막 연구 개발에 있어 원자/분자 수준에서의 전산모사 역할을 소개하고자 한다.

Deep Impact: Molecular Gas Properties under Strong Ram Pressure Probed by High-Resolution Radio Interferometric Observations

  • 이범현;정애리
    • 천문학회보
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    • 제44권2호
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    • pp.39.3-39.3
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    • 2019
  • Ram pressure stripping due to the intracluster medium (ICM) is an important environmental process, which causes star formation quenching by effectively removing cold interstellar gas from galaxies in dense environments. The evidence of diffuse atomic gas stripping has been reported in several HI imaging studies. However, it is still under debate whether molecular gas (i.e., a more direct ingredient for star formation) can be also affected and/or stripped by ram pressure. The goal of this thesis is to understand the impact of ram pressure on the molecular gas content of cluster galaxies and hence star formation activity. To achieve this, we conducted a series of detailed studies on the molecular gas properties of three Virgo spiral galaxies with clear signs of active HI gas stripping (NGC 4330, NGC 4402, and NGC 4522) based on high-resolution CO data obtained from the Submillimeter Array (SMA) and Atacama Large Millimeter/submillimeter Array (ALMA). As a result, we find the evidence that the molecular gas disk also gets affected by ram pressure in similar ways as HI even well inside of the stellar disk. In addition, we detected extraplanar 13CO clumps in one of the sample, which is the first case ever reported in ram pressure stripped galaxies. By analyzing multi-wavelength data (e.g., Hα, UV, HI, and CO), we discuss detailed processes of how ram pressure affects star formation activities and hence evolution of cluster galaxies. We also discuss the origin of extraplanar 13CO, and how ram pressure can potentially contribute to the chemical evolution of the ICM.

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분무증착에서 균일 박막형성을 위한 전산모사 (Numerical Simulation for Generation of Homogeneous Thin-Film in Spray Deposition)

  • 정흥철;고선미;최경민;김덕줄
    • 대한기계학회:학술대회논문집
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    • 대한기계학회 2007년도 춘계학술대회B
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    • pp.2702-2707
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    • 2007
  • The purpose of this study is to calculate the behavior of molecules for the generation of homogeneous thin-films in the process of spray deposition. The calculation system was composed of a suface molecular region and droplet molecular region. The thin-film was generated when droplet molecules fell to surface molecules. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the droplet on the solid surface. As results, the behavior of the droplet was so much influenced by the surface temperature in the spray deposition process. High temperature of surface has higher porosity and larger spread area. It was found that simulation results generally agreed well with previous the experimental results. This simulation result will be the foundation for the deposition processes of industry.

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Cellulase생산공정중 발생되는 저분자량 분포도의 폐효소류 처리가 고결정화된 배목재 섬유소의 고해에 미치는 영향 (The beating effect of high crystalized nonwood fibers treated with low-molecular weighted waste celulase in the papermaking processes)

  • 김병현;신종순;강영립;박병권;이성구
    • 한국인쇄학회지
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    • 제18권1호
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    • pp.121-139
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    • 2000
  • This study is to test the possibility of applying the low-molecular weighted waste cellulase, which is produced in the process of cellulase production, to paper making. After experimenting on high-crystallized non-wood fibers with beating catalyst. I got the result that the condition for the optimal effect is temperature 40~6$0^{\circ}C$, the time 90min to 120min, pH 5.0 to 6.0, the enzyme contents 0.3% and that the effect of beating such as slight reduction of fiver viscosity, increase of water retention value(WRV) and shortening of fiber length was increased with waste cellulase. Through this process, the density, folding endurance, tensile strength and burst strength of paper was remarkably increased, which is inferred to result from the increased flexibility of fiber by individual characteristics of non-wood fiber, which was high-crystallized by penetrated low-molecular weight cellulases in the fiber.

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암 유전자 치료제의 개발 현황 (Cancer Gene Therapy. History and Major Developments)

  • 정인재
    • Toxicological Research
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    • 제19권3호
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    • pp.247-257
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    • 2003
  • Medicine is undergoing a revolution in the understanding of the mechanisms through which disease processes develop. The advent of genetics and molecular biology to oncology not only is providing surrogate predictors of therapy response and survival which are forming the basis for selection among established treatment options, but is providing targets for new directions in therapy as well. Molecular modification of somatic cells for the purposes of protecting the normal cells from the toxicity of cancer chemotherapy, for the sensitization of the tumor cells to therapy and use of conditionally replicating viral vector have been new directions of cancer treatment which have reached the clinical arena. Advances in molecular pharmacology and vector design summarized in this paper may provide solutions to some of the existing problems in the technology of gene transfer therapy. Continued basic research into the biological basis of human disease, systemic studies of the application of these discoveries to therapy and the improvement of vector for gene delivery all combined may result in advances in this important field of therapy over the next few years.

Dielectric and Transport Properties of Acetonitrile at Varying Temperatures: a Molecular Dynamics Study

  • Orhan, Mehmet
    • Bulletin of the Korean Chemical Society
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    • 제35권5호
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    • pp.1469-1478
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    • 2014
  • Use of acetonitrile in electrolytes promotes better operation of supercapacitors. Recent efforts show that electrolytes containing acetonitrile can also function in a wide range of operating temperatures. Therefore, this paper addresses the dielectric relaxation processes, structure and dynamic properties of the bulk acetonitrile at various temperatures. Systems of acetonitrile were modeled using canonical ensemble and simulated by employing Molecular Dynamics method. Results show that interactions among the molecules were correlated within a cut-off radius while parallel and anti-parallel arrangements are observed beyond this radius at relatively high and low temperatures respectively. Furthermore, effects of C-C-N and C-H bending modes were greatly appreciated on the power spectral density of time rate change of dipole-dipole correlations whereas frequency shifts were observed on all modes at the lowest temperature under consideration. Linear variations with temperature were depicted for reorientation times and self-diffusion coefficients. Shear viscosity was also computed with a good accuracy within a certain range of the temperature as well.

Assembly and electrical property of GFP/Cytochrome b562 Fusion Protein ontothe Au Substrate

  • 정성철;최정우;이원홍
    • 한국생물공학회:학술대회논문집
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    • 한국생물공학회 2003년도 생물공학의 동향(XII)
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    • pp.630-633
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    • 2003
  • Transfer of an electron from one site to another in a molecular or between molecules and/or electrodes is one of the most fundamental and ubiquitous processes in chemistry, biology and physics. In this study fusion proteins composed by green fluorescent protein(GFP) and cytochrome b562 were used in fabricating molecular array as an electron sensitizer and electron acceptor, Protein formation onto the substrate was performed by the self-assembly technique. The fusion protein film were analyzed using scanning probe microscope(SPM), Surface Plasmon Resornance(SPR) and hybrid STM/I-V. The results suggest that the proposed molecular photodiode can be used as a basic unit of the memory device.

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Effects of Temperature and Urea on in vitro Aggregation of Tryptophan Synthase $\alpha$-Subunits

  • Park, Myung-Won;Jeong, Jae-Kap;Shin, Hae-Ja;Lim, Woon-Ki
    • 대한의생명과학회지
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    • 제9권4호
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    • pp.203-207
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    • 2003
  • Protein aggregation could be problematic as causes of diseases and hindrance in the production of useful recombinant proteins. Aggregation of mutant tryptophan synthase $\alpha$-subunits was examined by treatment with urea and at high temperature. Large amorphous aggregate seemed to appear by heat treatment, while more various aggregates in size were formed by treatment with urea at low concentration. The result indicates that different aggregate in size could be formed depending on the treatment condition, suggesting different mechanisms underlying aggregation processes.

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^1H NMR Relaxation Study of Molecular Motion in the Paraelectric Phase of (NH4)2Cd2(SO4)3 Single Crystals

  • Lim, Ae-Ran;Jung, Won-Ki
    • 한국자기공명학회논문지
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    • 제14권1호
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    • pp.18-27
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    • 2010
  • The NMR spectrum and spin-lattice relaxation times, $T_1$, of the $^{1}H$ nuclei in $(NH_{4})_{2}Cd_{2}(SO_{4})_{3}$ single crystals were obtained. The two minima in $T_1$ in the paraelectric phase are attributed to the reorientational motions of the $NH_{4}^{+}$ groups. The $^{1}H\;T_1$ of the $(NH_{4})_{2}Cd_{2}(SO_{4})_{3}$ crystals can be described with Bloembergen- Purcell-Pound (BPP) theory. The experimental value of $T_1$ can be expressed in terms of an isotropic correlation time ${\tau}_H$ for molecular motions by using the BPP theory, and determine the role of protons in these processes.

자유부피이론을 이용한 고분자/용매 확산계수의 예측 (Prediction of PolymerSolvent Diffusion Coefficients Using Free-Volume Theory)

  • 홍성욱
    • 한국막학회:학술대회논문집
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    • 한국막학회 1997년도 추계 총회 및 학술발표회
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    • pp.27-30
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    • 1997
  • 1. Introduction : Molecular diffusion of small molecules in polymers plays an important role in many areas where polymers are acting as barriers, and in separation processes, such as selective diffusion. Different applications of polymers have different requirements on their transport properties. Therefore, reliable predictions of diffusion coefficients for small molecules in polymeric materials could be a useful tool to design appropriate materials. For many years, the theories based on free-volume concepts have been widely used to correlate and predict diffusion behavior in polymer/solvent systems. In the theory derived by Vrentas and Duda, the empty space between molecules that is available for molecular transport, referred to as hole free-volume, is being redistributed. Molecular transport will occur only when a free-volume of sufficient size appears adjacent to a molecule and the molecule has enough energy to jump into this void. The diffusive jump is considered complete when the void left behind is closed before the molecule returns to its original position. In this paper, the Vrentas-Duda free-volume theory is presented and the methods to estimate free-volume parameters for predicting polymer/ solvent diffusion coefficients are described in detail.

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