• Title/Summary/Keyword: Molecular properties

Search Result 3,780, Processing Time 0.029 seconds

Effects of Halothane on Dimyristoylphosphatidylcholine Lipid Bilayer Structure: A Molecular Dynamics Simulation Study

  • Oh, Kwang-Jin;Klein, Michael L.
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.9
    • /
    • pp.2087-2092
    • /
    • 2009
  • We performed molecular dynamics simulations on dimyristoylphosphatidylcholine lipid bilayer with 50 mol% halothane. The structural properties, electron density profile, segmental order parameter of acyl chains, headgroup orientation distribution, water dipole orientation distribution, have been examined. Overall the effects of the halothane molecules on structural properties of DMPC lipid bilayer were found to be small. The electron density profiles, the segmental order parameter, the headgroup orientation, the water dipole orientation were not affected significantly by the halothane molecules. Pressure tensor calculations shows that the lateral pressure increases at the hydrocarbon tail region and the headgroup region, and decreases at the water-headgroup interfacial region.

Molecular Imprints in Nanostructured Polymer Surfaces - A New Generation of Biomimetic Materials for Chemical Sensors

  • Haupt, Karsten
    • Proceedings of the Polymer Society of Korea Conference
    • /
    • 2006.10a
    • /
    • pp.31-32
    • /
    • 2006
  • We describe the preparation of nanostructured molecularly-imprinted surfaces using nanomolding on porous alumina. In molecular imprinting functional and cross-linking monomers are copolymerized in the presence of a molecular template, resulting in synthetic receptor materials. The drug propranolol and the dye fluorescein were used as the molecular imprinting templates. Binding studies with imprinted and non-imprinted surfaces revealed specific recognition of the templates and thus the existence of selective binding sites. In addition, the surface properties of the films were studied by water contact angle measurements. It was found that, depending on the monomers used, certain nanostructures induced great changes in the wetting properties of the surface.

  • PDF

Turbulence in Molecular clouds : Observation versus Simulation

  • Jo, Hyeon-Jin;Gang, Hye-Seong;Ryu, Dong-Su;Kim, Jong-Su;Jo, Jeong-Yeon
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.35 no.2
    • /
    • pp.75.2-75.2
    • /
    • 2010
  • We have studied the statistical properties of turbulence in molecular clouds identified in the Boston University - Five College Radio Astronomy Observatory (BU-FCRAO) Galactic Ring Survey (GRS). Toward this end, the probability density function (PDF) and velocity distribution were measured for about 50 molecular clouds. We found there exists a good correlation between the PDF width and the velocity dispersion for these molecular clouds. In order to investigate how general properties of astrophysical turbulence depends on the plasma parameters such as magnetic field strength and sonic Mach number, we performed three-dimensional MHD simulations. We then examined if the observed characteristics of interstellar turbulence are consistent with theoretical results from MHD simulations.

  • PDF

Fabrication and Characteristics of LB Ultra-thin Film Capacitor (II) (LB 초박막 커패시터의 제작 및 특성 (II))

  • 유승엽;박재철;권영수
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
    • /
    • 1996.05a
    • /
    • pp.244-247
    • /
    • 1996
  • We had experiment using LB method that can fabricate molecular order ultra-thin film below 100${\AA}$. LB method has known as main technology of information society in 21C, because it is not only free orientation and alignment of molecular but also ability of thickness control as molecular order. In this paper, the fabricated condition and physical properties of functional ultra-thin film of molecular order was investigated and highly efficient ultra-thin film capacitor was fabricated by using ultra-thin LB film for application as electronic device. Possibility of ultra-thin film capacitor was researched by analyzing and measuring electrical properties. Polyimide ultra-thin LB film capacitor was fabricated, ensured theoretically and experimentally its possibility in range of 10Hz∼lMHz through its frequency characteristics.

  • PDF

Molecular Dynamics Simulation Studies of Benzene, Toluene, and p-Xylene in a Canonical Ensemble

  • Kim, Ja-Hun;Lee, Song-Hui
    • Bulletin of the Korean Chemical Society
    • /
    • v.23 no.3
    • /
    • pp.441-446
    • /
    • 2002
  • We have presented the results of thermodynamic, structural and dynamic properties of liquid benzene, toluene, and p-xylene in canonical (NVT) ensemble at 293.15 K by molecular dynamics (MD) simulations. The molecular model adopted for these molecules is a combination of the rigid body treatment for the benzene ring and an atomistically detailed model for the methyl hydrogen atoms. The calculated pressures are too low in the NVT ensemble MD simulations. The various thermodynamic properties reflect that the intermolecular interactions become stronger as the number of methyl group attached into the benzene ring increases. The pronounced nearest neighbor peak in the center of mass g(r) of liquid benzene at 293.15 K, provides the interpretation that nearest neighbors tend to be perpendicular. Two self-diffusion coefficients of liquid benzene at 293.15 K calculated from MSD and VAC function are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene also agree well with the experimental ones for toluene in benzene and for toluene in cyclohexane.

Molecular gas content of HI Monsters

  • Chung, Aeree;Lee, Cheoljong;Yun, Min S.
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.38 no.1
    • /
    • pp.33.2-33.2
    • /
    • 2013
  • We present 12CO ($J=1{\rightarrow}0$) observations of a set of local galaxies (0.04 < z < 0.08) with a large cool gas reservoir, dubbed "HI Monsters". The data were obtained using the Redshift Search Receiver (RSR) on the Five College Radio Astronomy Observatory (FCRAO) 14 m telescope. The sample consists of 20 galaxies with $M_{HI}$ > $3{\times}10^{10}M_{\odot}$ identified by the ALFALFA survey and 8 additional objects with comparable HI mass from a separate LSB galaxy study ($M_{HI}$ > $1.5{\times}10^{10}M_{\odot}$). Our sample selection is purely based on the amount of neutral hydrogen in galaxies, thereby providing a chance to study how atomic and molecular gas relate to each other in these extremely HI-rich systems. We have detected CO in 15 out of 20 ALFALFA selected HI Monsters and 4 out of 8 LSB HI Monsters. We present the global molecular gas properties of the sample and discuss how their molecular gas properties correlate with their star formation activities.

  • PDF

Motional Properties in the Structure of GlcNAc(β1,3)Gal(β)OMe Studied by NMR Spectroscopy and Molecular Modeling

  • 심규창;이상원;김양미
    • Bulletin of the Korean Chemical Society
    • /
    • v.18 no.4
    • /
    • pp.415-424
    • /
    • 1997
  • Conformational flexibilities of the GlcNAc(β1,3)Gal(β)OMe are investigated through NMR spectroscopy and molecular modeling. Adiabatic energy map generated with a dielectric constant of 50 contains three local minima. All of the molecular dynamics simulations on three local minimum energy structures show fluctuations between two low energy structures, N2 at φ=80° and ψ=60° and N3 at φ=60° and ψ=-40°. We have presented adequate evidences to state that GlcNAc(β1,3)Gal(β)OMe exists in two conformationally discrete forms. Two state model of N2 and N3 conformers with a population ratio of 40:60 is used to calculate the effective cross relaxation rate and reproduces the experimental NOEs very well. Molecular dynamics simulation in conjunction with two state model proves successfully the dynamic equilibrium existed in GlcNAc(β1,3)Gal(β)OMe and can be considered as a powerful method to analyze the motional properties in the structure of carbohydrate. This observation also cautions against the indiscriminate use of a rigid model to analyze NMR data.

Molecular imaging of polarized macrophages in tumors

  • Ran Ji Yoo;Yun-Sang Lee
    • Journal of Radiopharmaceuticals and Molecular Probes
    • /
    • v.7 no.1
    • /
    • pp.41-49
    • /
    • 2021
  • Diversity and flexibility are two typical hallmarks of macrophages. Two types of macrophages, M1(classically activated macrophages) and M2(alternatively activated macrophages) exist at both ends of the commonly known macrophage polarization. M1 macrophages have inflammatory properties and are primarily responsible for defending against invading bacteria in our body. On the other hand, M2 macrophages are involved in anti-inflammatory responses and tissue remodeling. Polarized migration of macrophages is of increasing interest in regulating the initiation, generation, and resting phases of inflammatory diseases. In this review, it intend to discuss the properties and functions of tumor-associated macrophages based on polarized macrophages that affect inflammatory diseases. In addition, the purpose of this study is to investigate a molecular imaging approach that targets macrophages that affect tumor growth by controlling the polarization of macrophages that affect tumor diagnosis and treatment.

Monitoring of Changes in Molecular Weight Distribution and Fluorescence Properties of Dissolved Matter (DOM) in Water Treatment Processes (정수처리공정 중 자연유기물질의 분자량 분포 및 형광특성 변화 모니터링)

  • Park, Min-Hye;Hur, Jin
    • Journal of Korean Society on Water Environment
    • /
    • v.23 no.6
    • /
    • pp.843-849
    • /
    • 2007
  • Monitoring of NOM characteristics is important for improving removal efficiency of natural organic matter (NOM) in water treatment processes. In this study, several NOM characteristics, which include specific UV absorbance (SUVA), total carbonate content, molecular weight distribution, and fluorescence properties, were measured using samples collected from a pilot-scale water treatment plant consisting of coagulation/flocculation (C/F), filtration, ozonation and granular activated carbon (GAC) processes. The highest removal of NOM was observed in C/F and filtration processes as demonstrated by the reduction of dissolved organic carbon (DOC) by 25% and 21%, respectively. Despite nearly no change in DOC, however, the lowest SUVA value and the highest total carbohydrate content were observed in the sample from ozonation process. This indicates that non-degradable aromatic compounds become depleted and biodegradable organic compounds are enriched during the process. Comparison of synchronous fluorescence spectra of the samples showed that ozoation process increased protein-like fluorescence while it decreased fulvic-like and terrestrial humic-like fluorescence. Consistently, a slight peak of protein-like fluorescence was observed in the sample from ozonation process. The greatest change in molecular weight distributions of the samples was observed in C/F process. Comparison of size exclusion chromatogram of the samples revealed that NOM fractions with the molecular weight greater than 2000 Da were reduced by over 90% after C/F process. SUVA values and total carbohydrate content of the samples were well correlated with a ratio of protein-like fluorescence and terrestrial humic-like fluorescence intensities with the correlation coefficients of 0.99 and 0.91, respectively. This suggests that synchronous fluorescence properties of NOM could be used as useful tolls for monitoring changes of some NOM characteristics during water treatment processes.

The temperature and density distribution of molecular gas in a galaxy undergoing strong ram pressure: a case study of NGC 4402

  • Lee, Bumhyun;Chung, Aeree
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.40 no.1
    • /
    • pp.77.2-77.2
    • /
    • 2015
  • Galaxies are known to evolve passively in the cluster environment. Indeed, much evidence for HI stripping has been found in cluster galaxies to date, which is likely to be connected to their low star formation rate. What is still puzzling however, is that the molecular gas, which is believed to be more directly related to star formation, shows no significant difference in its fraction between the cluster population and the field galaxies. Therefore, HI stripping alone does not seem to be enough to fully understand how galaxies become passive in galaxy clusters. Intriguingly, our recent high resolution CO study of a subsample of Virgo spirals which are undergoing strong ICM pressure has revealed a highly disturbed molecular gas morphology and kinematics. The morphological and kinematical peculiarities in their CO data have many properties in common with those of HI gas in the sample, indicating that strong ICM pressure in fact can have impacts on dense gas deep inside of a galaxy. This implies that it is the molecular gas conditions rather than the molecular gas stripping which is more responsible for quenching of star formation in cluster galaxies. In this study, using multi transitions of 12CO and 13CO, we investigate the density and temperature distributions of CO gas of a Virgo spiral galaxy, NGC 4402 to probe the physical and chemical properties of molecular gas and their relations to star formation activities.

  • PDF