• Title/Summary/Keyword: molecular interactions

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Multiparameter Flow Cytometry: Advances in High Resolution Analysis

  • O'Donnell, Erika A.;Ernst, David N.;Hingorani, Ravi
    • IMMUNE NETWORK
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    • v.13 no.2
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    • pp.43-54
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    • 2013
  • Over the past 40 years, flow cytometry has emerged as a leading, application-rich technology that supports high-resolution characterization of individual cells which function in complex cellular networks such as the immune system. This brief overview highlights advances in multiparameter flow cytometric technologies and reagent applications for characterization and functional analysis of cells modulating the immune network. These advances significantly support highthroughput and high-content analyses and enable an integrated understanding of the cellular and molecular interactions that underlie complex biological systems.

a new process for fabricating electrically conducting thin films

  • Onoda, Mitsuyoshi;Yoshino, Katsumi
    • Electrical & Electronic Materials
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    • v.8 no.6
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    • pp.795-805
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    • 1995
  • A novel thin film processing technique has been developed for the fabrication of ultrathin films of conducting polymers with molecular-level control over thickness and multilayer architecture. This new self-assembly process opens up vast possibilities in applications which require large area, ultrathin films of conducting polymers and more importantly in applications that can take advantage of the unique interactions achievable in the complex, supermolecular architectures of multilayer films.

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New possibilities of SHS for producing high-temperature materials

  • Natalya, Korobova;Soh, Dea-Wha
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.399-400
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    • 2005
  • Self-propagating High-temperature Synthesised (SHS) ceramics have been widely used for various electronic applications. The investigation on SHS materials has been reported. The purposes of this study were as follows: fabricating the high-temperature functional materials, and evaluating crystal structure and electrical properties. The regularities and peculiarities in SHS structures of high-temperature materials as a result of the molecular interactions during burning process are considered.

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Stability of the Pentagon Structure of Water Cluster

  • Yoon, Byoung-Jip;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • v.12 no.1
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    • pp.67-70
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    • 1991
  • A hexagonal hexamer of water cluster is optimized by ab initio method using the 4-31G basis set. At this geometry the nonadditive many-body interactions are calculated. The ab initio calculation with large basis set [T. H. Dunning, J. Chem. Phys., 53, 2823 (1970); 54, 3958 (1971)] shows that a pentagonal unit is rather stable among several kinds of clustering units of water molecules.

Theoretical Studies on the Photo-Skinsensitizing Psoralens (I)

  • Ja-Hong Kim;Sang-Chul Shim
    • Bulletin of the Korean Chemical Society
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    • v.1 no.2
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    • pp.71-73
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    • 1980
  • The electronic structure of photo-skinsensitizing psoralens has been investigated by the FMO method. On the basis of theoretical calculations, optimum value of indices (Ft=0.33) has been proposed which corresponds to the sum of frontier electron density. The results indicate that this index is closely correlated with photo-skinsensitizing carcinogenic activity. The formations of molecular complexes between DNA and photo-skinsensitizing carcinogens is discussed in terms of charge transfer interactions.

Investigation of Molecular Coupling Effects on Photothermal Properties of Polar Solutions by Thermal Lens

  • 하정현;임종태;최중길;김용록
    • Bulletin of the Korean Chemical Society
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    • v.17 no.8
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    • pp.682-685
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    • 1996
  • Photothermal properties depend on the characteristics of energy transfer processes in solution. In this study, a time-resolved single beam thermal lens experiment in various solvents is employed to investigate the energy coupling effects which govern the energy transfer processes. Interestingly, it is observed that the behaviour of the photothermal propagation in solution depends on the property of solution and the concentration of solute in a single beam thermal lens configuration. These characteristics lead us to consider the solute-solvent coupling effects as well as the solvent-solvent interactions.

Lattice Vibrational Calculation of Orthorhombic Hydrogne Chloride

  • No Kyoung Tai;Jaon Mu Shik
    • Bulletin of the Korean Chemical Society
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    • v.6 no.4
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    • pp.183-186
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    • 1985
  • The lattice vibrational calculation of orthorhombic hydrogen chloride is performed using physically realistic potential function which can reproduce the X-ray structure and heat of sublimation of the low temperature phase. The polar coordinates representation is introduced in order to describe the intermolecular interactions in a molecular crystal. The splitting in internal modes is calculated as 49 $cm^{-1}$ and the other modes are in good agreement with experimental results.

Magnetic Susceptibility of Anisotropically Interacting Spin-Pair Systems

  • Kim, Jin-Eun
    • Bulletin of the Korean Chemical Society
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    • v.15 no.5
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    • pp.347-349
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    • 1994
  • The Oguchi theory of antiferromagnetism has been modified for antiferromagnetically interacting spin-pair systems with anisotropic exchange interaction. The parallel and perpendicular susceptibilities $({\chi}_{\parallel}\;and\;{\chi}_{\perp})$ have been expressed as functions of exchange interactions $(J_z\;and\;{\gamma}=J_x/J_z)$, anisotropic molecular field parameters $({\kappa}\;and\;{\kappa}_x)$, $g_z\;and\;g_x$. In contrast to the previous theories, the parallel susceptibilities are not the same as the perpendicular susceptibilities above Neel temperature $T_N$.

Structural Arrangement of Water Molecules around Highly Charged Nanoparticles: Molecular Dynamics Simulation

  • Kim, Eunae;Yeom, Min Sun
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1501-1505
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    • 2014
  • Molecular dynamics simulations were performed to understand the structural arrangement of water molecules around highly charged nanoparticles under aqueous conditions. The effect of two highly charged nanoparticles on the solvation charge asymmetry has been examined. We calculated the radial distribution functions of the components of water molecules around nanoparticles which have four charge types at two different salt concentrations. Even though the distributions of water molecules surrounding a sodium ion and a chloride ion are hardly affected by the charges of nanoparticles and the salt concentrations, those around highly charged nanoparticles are strongly influenced by the charges of nanoparticles, but hardly by the charges of nanoparticles and salt concentrations. We find that the distributions of hydrogen atoms in water molecules around one highly charged nanoparticle are dependent on the magnitude of the nanoparticle charge.

Binding Studies of Erythromycin A and its Analogues using Molecular Docking Technique

  • Kamarulzaman, Ezatul Ezleen;Mordi, Mohd Nizam;Mansur, Shariff Mahsufi;Wahab, Habibah
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.35-40
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    • 2005
  • Interaction of twelve erythromycin A analogues with 50S ribosomal subunit were studied employing AutoDock 3.0.5. Results showed that all active macrolides bound at the same binding site with erythromycin A in contrast to the inactive analogues which bound at location slightly different than erythromycin A. The binding site showed consistency with the X-ray data from the perspectives of hydrogen bonding and hydrophobic interactions formed by erythromycins, roxithromycin, azithromycin, cethromycin and telithromycin with the ribosome. The inactive derivatives of erythromycin A anhydride showed higher binding free energy, while 5-desosaminyl erythronolides A and B even though having quiet similar values of binding free energy with the active analogues, docked at binding sites which are quiet different than the active analogues. These results suggest the molecular docking technique can be used in predicting the binding of erythromycin A analogues to their ribosomal target.

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