• Title/Summary/Keyword: Molecular techniques

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The rheology of two-dimensional systems

  • Fuller, G.;Yim, K.S.;Brooks, C.;Olson, D.;Frank, C.
    • Korea-Australia Rheology Journal
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    • 제11권4호
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    • pp.321-328
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    • 1999
  • This paper discusses the rheology of complex interfaces comprised of amphiphilic materials that are susceptible to flow-induced orientation and deformation. The consequence of the coupling of the film micro-structure to flow leads to nonlinear rheology and surface fluid dynamics. Experimental methods designed to determine the mechanical rheological material functions of fluid-fluid interfaces as well as local, molecular and morphological responses are presented. These include a newly developed interfacial stress rheometer, flow ultraviolet dichroism, and Brewster-angle microscopy. These techniques are applied to a number of complex interfaces ranging from low molecular weight amphiphiles to polymer monolayers. Nonlinear flow phenomena ranging from two-dimensional nematic responses to highly elastic surface flows that manifest surface normal stress differences and elongational viscosities are described.

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Reactive Ion Scattering of Low Energy Cs+ from Surfaces. A Technique for Surface Molecular Analysis

  • Kang, Heon
    • Bulletin of the Korean Chemical Society
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    • 제32권2호
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    • pp.389-398
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    • 2011
  • Although the currently available surface spectroscopic techniques provide powerful means of studying atoms and simple molecules on surfaces, the identification of complex molecules and functional groups is a major concern in surface analysis. This article describes a recently developed method of surface molecular analysis based on reactive ion scattering (RIS) of low energy (< 100 eV) $Cs^+$ beams. The RIS method can detect surface molecules via a mechanism in which a $Cs^+$ projectile picks up an adsorbate from the surface during the scattering process. The basic principles of the method are reviewed and its applications are discussed by showing several examples from studies of molecules and their reactions on surfaces.

Quantitative Structure Activity Relationship Prediction of Oral Bioavailabilities Using Support Vector Machine

  • Fatemi, Mohammad Hossein;Fadaei, Fatemeh
    • 대한화학회지
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    • 제58권6호
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    • pp.543-552
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    • 2014
  • A quantitative structure activity relationship (QSAR) study is performed for modeling and prediction of oral bioavailabilities of 216 diverse set of drugs. After calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regression (MLR), artificial neural network (ANN), support vector machine (SVM) and random forest (RF) techniques. Comparison between statistical parameters of these models indicates the suitability of SVM over other models. The root mean square errors of SVM model were 5.933 and 4.934 for training and test sets, respectively. Robustness and reliability of the developed SVM model was evaluated by performing of leave many out cross validation test, which produces the statistic of $Q^2_{SVM}=0.603$ and SPRESS = 7.902. Moreover, the chemical applicability domains of model were determined via leverage approach. The results of this study revealed the applicability of QSAR approach by using SVM in prediction of oral bioavailability of drugs.

해양동물 눈알고둥 렉틴의 림프구 분열효과 및 면역화학적 특성 (Lymphocytes Mitogenic and Immunochemical Properties of the Lectins from Marine Animal Lunella coronata coreensis)

  • 소명숙;전경희;정시련
    • 약학회지
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    • 제37권3호
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    • pp.254-261
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    • 1993
  • Developing new substance for immunosuppressor or immunomodulator from natural products is extremely important in the present biomedicine. In this paper, we focused our efforts on the mitogenicity and immunochemical properties of the two lectins (LCC-I, LCC-II) obtained from marine animal Lunella coronata coreensis. Immunochemical techniques were employed to elucidate the structural and/or functional similarities between the LCC lectins. Molecular weight of the LCC lectins, LCC-I and LCC-II were estimated to be around 60 KD and 66-70 KD, respectively. LCC lectins were mitogens for murine splenic lymphocytes, and the optimum mitogenic doses were 31.25 $\mu\textrm{g}$/ml and 3.91 $\mu\textrm{g}$/ml, respectively. LCC-II lectin was a good mitogen toward human peripheral lymphocytes at a concentration about 31.25 $\mu\textrm{g}$/ml.

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METALLIC INTERFACES IN HARSH CHEMO-MECHANICAL ENVIRONMENTS

  • Yildiz, Bilge;Nikiforova, Anna;Yip, Sidney
    • Nuclear Engineering and Technology
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    • 제41권1호
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    • pp.21-38
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    • 2009
  • The use of multi scale modeling concepts and simulation techniques to study the destabilization of an ultrathin layer of oxide interface between a metal substrate and the surrounding environment is considered. Of particular interest are chemo-mechanical behavior of this interface in the context of a molecular-level description of stress corrosion cracking. Motivated by our previous molecular dynamics simulations of unit processes in materials strength and toughness, we examine the challenges of dealing with chemical reactivity on an equal footing with mechanical deformation, (a) understanding electron transfer processes using first-principles methods, (b) modeling cation transport and associated charged defect migration kinetics, and (c) simulation of pit nucleation and intergranular deformation to initiate the breakdown of the oxide interlayer. These problems illustrate a level of multi-scale complexity that would be practically impossible to attack by other means; they also point to a perspective framework that could guide future research in the broad computational science community.

Jatropha curcas: a review on biotechnological status and challenges

  • Mukherjee, Priyanka;Varshney, Alok;Johnson, T. Sudhakar;Jha, Timir Baran
    • Plant Biotechnology Reports
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    • 제5권3호
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    • pp.197-215
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    • 2011
  • Plant tissue culture and molecular biology techniques are powerful tools of biotechnology that can complement conventional breeding, expedite crop improvement and meet the demand for availability of uniform clones in large numbers. Jatropha curcas Linn., a non-edible, eco-friendly, non-toxic, biodegradable fuel-producing plant has attracted worldwide attention as an alternate sustainable energy source for the future. This review presents a consolidated account of biotechnological interventions made in J. curcas over the decades and focuses on contemporary information and trends of future research.

CoMFA Based Quantitative Structure Toxicity Relationship of Azo Dyes

  • Pasha, F.A.;Nam, Kee-Dal;Cho, Seung-Joo
    • Molecular & Cellular Toxicology
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    • 제3권2호
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    • pp.145-149
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    • 2007
  • Studies of relationship between structure and toxicity of azo dyes have been performed with comparative molecular field analysis (CoMFA) techniques. 3D QSTR analyses indicate that the steric and electrostatic interactions are important. The steric field based model gives strong correlation ($q^2$=0.57, $r^2$= 0.92). The steric field in conjunction with electrostatic field give more strong correlation ($q^2$=0.57, $r^2$=0.95). All study indicates that a bulky and electronegative group at benzene ring and a small group at position 3 of aniline ring might be significant to reduce the mutagenicity.

Synergistic Ensemble of Optogenetic Actuators and Dynamic Indicators in Cell Biology

  • Kim, Jihoon;Heo, Won Do
    • Molecules and Cells
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    • 제41권9호
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    • pp.809-817
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    • 2018
  • Discovery of the naturally evolved fluorescent proteins and their genetically engineered biosensors have enormously contributed to current bio-imaging techniques. These reporters to trace dynamic changes of intracellular protein activities have continuously transformed according to the various demands in biological studies. Along with that, light-inducible optogenetic technologies have offered scientists to perturb, control and analyze the function of intracellular machineries in spatiotemporal manner. In this review, we present an overview of the molecular strategies that have been exploited for producing genetically encoded protein reporters and various optogenetic modules. Finally, in particular, we discuss the current efforts for combined use of these reporters and optogenetic modules as a powerful tactic for the control and imaging of signaling events in cells and tissues.

Real-time X-ray Scattering as a Nanostructure Probe for Organic Photovoltaic Thin Films

  • 이현휘;김효정;김장주
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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    • pp.181-181
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    • 2013
  • Recently, nanostructure and the molecular orientation of organic thin films have been largely paid attention due to its importance in organic electronics such as organic thin film transistors (OTFTs), organic light emitting diodes (OLEDs), and organic photovoltaics (OPVs). Among various methods, the diffraction and scattering techniques based on synchrotron x-rays have shown powerful results in organic thin film systems. In this work, we introduce the in-situ annealing system installed at PLS-II (Pohang Light Source II) for organic thin films by simultaneously conducting various x-ray scattering measurements of x-ray reflectivity, conventional x-ray scattering, grazing incidence wide angle x-ray scattering (GI-WAXS) and so on. Using the in-situ measurement, we could obtain real time variation of nanostructure as well as molecular orientation during thermal annealing in metal-phthalocyanine thin films. The variation of surface and interface also could be simultaneously investigated by the x-ray reflectivity measurement.

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Krill 지질(脂質)의 항산화성(抗酸化性)과 과산화물(過酸化物) 분해작용(分解作用) (Antioxygenic and Peroxide-decomposing Activities of Antarctic Krill Lipids)

  • 이종호
    • 한국식품영양과학회지
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    • 제13권3호
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    • pp.326-333
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    • 1984
  • The oxidation rate of krill lipids is very slow and no peroxides are accumulated even after long storage. By means of various chromatographic techniques and mass spectrophotometry, the primary antioxidant has been identified as ${\alpha}$-tocopherol. The phospholipid fractions did not show any antioxidative activity but peroxide-decomposing properties of total lipids depended upon the phospholipid contents. The peroxide-decomposing activities of phospholipids were due to the presence of polar materials generated during the storage. The most peroxide-decomposing fractions of oxidized krill lecithin by DEAE-cellulose column chromatography was low-molecule fraction (mean molecular weight: 182) and high-molecule fraction (mean molecular weight: 1942) was the next. The separation of peroxide-decomposing properties from low-molecule fraction was achieved by partitioning between chloroform and methanol/water. The methanol/water fraction showed strong peroxide-decomposing activities and main component of this fraction was assumed hydroxyamine compounds derived from choline.

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