• Title/Summary/Keyword: Molecular Property

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Fluorescent Compounds Having the Spaced and Integrated Type Receptors

  • Choi, Chang-Shik
    • Rapid Communication in Photoscience
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    • v.5 no.1
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    • pp.1-7
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    • 2016
  • Fluorescent receptors have gained much attention because of their usefulness in analysis and clarification of the roles of biomolecules in living systems. Molecular structures of the integrated type including that the receptor itself is fluorescent, and play an important role in having the functionality or selectivity of the fluorescent compounds. These spaced type fluorescent receptors are required to have special molecular design in order to transmit the information of molecular recognition to the fluorescent unit through the spacer unit. Compared with the spaced type fluorescent receptors, number of the integrated type receptors is limited due to the difficult molecular design and synthesis. Modification of alteration of the fluorophore frequently caused deterioration of the fluorescent property. Various spaced type and integrated type fluorescent receptors including switch on-off receptors are introduced in this article.

Molecular Thin Films and Small-molecule Organic Photovoltaics

  • Yim, Sang-Gyu
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.63-63
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    • 2011
  • In this tutorial session, the field of organic photovoltaic (OPV) cells based on small molecular weight materials will be presented. The previously reported studies on the fabrication, structure, and property of the cells as well as the molecular materials are included. Especially, the factors hampering further enhancement in the power conversion efficiency of the cells such as exciton recombination, light absorption and interfacial morphology between electron donor and acceptor layer will be discussed in detail. The recent progress in our group will also be presented. It includes typical materials and cell fabrication techniques we used as well as the studies on improving the light absorption in the electron donor layer and reducing the extinction of excitons formed by introducing the nanostructured interface between organic layers.

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Prediction Acidity Constant of Various Benzoic Acids and Phenols in Water Using Linear and Nonlinear QSPR Models

  • Habibi Yangjeh, Aziz;Danandeh Jenagharad, Mohammad;Nooshyar, Mahdi
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.2007-2016
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    • 2005
  • An artificial neural network (ANN) is successfully presented for prediction acidity constant (pKa) of various benzoic acids and phenols with diverse chemical structures using a nonlinear quantitative structure-property relationship. A three-layered feed forward ANN with back-propagation of error was generated using six molecular descriptors appearing in the multi-parameter linear regression (MLR) model. The polarizability term $(\pi_1)$, most positive charge of acidic hydrogen atom $(q^+)$, molecular weight (MW), most negative charge of the acidic oxygen atom $(q^-)$, the hydrogen-bond accepting ability $(\epsilon_B)$ and partial charge weighted topological electronic (PCWTE) descriptors are inputs and its output is pKa. It was found that properly selected and trained neural network with 205 compounds could fairly represent dependence of the acidity constant on molecular descriptors. For evaluation of the predictive power of the generated ANN, an optimized network was applied for prediction pKa values of 37 compounds in the prediction set, which were not used in the optimization procedure. Squared correlation coefficient $(R^2)$ and root mean square error (RMSE) of 0.9147 and 0.9388 for prediction set by the MLR model should be compared with the values of 0.9939 and 0.2575 by the ANN model. These improvements are due to the fact that acidity constant of benzoic acids and phenols in water shows nonlinear correlations with the molecular descriptors.

An Antifungal Property of Burkholderia ambifaria Against Phytopathogenic Fungi

  • Lee Chul-Hoon;Kim Min-Woo;Kim Hye-Sook;Ahn Joong-Hoon;Yi Yong-Sub;Kang Kyung-Rae;Yoon Young-Dae;Choi Gyung-Ja;Cho Kwang-Yun;Lim Yoong-Ho
    • Journal of Microbiology and Biotechnology
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    • v.16 no.3
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    • pp.465-468
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    • 2006
  • Even though many pesticides are known for barley powdery mildew and wheat leaf rust, alternative controls are necessary, because of consumer rejection of chemical pesticides and the appearance of fungi resistant to fungicides. To discover biopesticides, many broths of microorganisms were screened. Of those, a culture broth of Burkholderia ambifaria showed an excellent antifungal activity against both Erysiphe graminis and Puccinia recondita, which cause barley powdery mildew and wheat leaf rust, respectively.

Modulation of Poly($\beta-amino ester$) pH-Sensitive Polymers by Molecular Weight Control

  • Kim Min Sang;Lee Doo Sung;Choi Eun-Kyung;Park Heon-Joo;Kim Jin-Seok
    • Macromolecular Research
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    • v.13 no.2
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    • pp.147-151
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    • 2005
  • The main objective of this study was to modulate pH-sensitive polymers (poly($\beta-amino esters$)) by controlling their molecular weight during their synthesis. These pH-sensitive and biodegradable polymers were synthesized by Michael-type step polymerization. 1,4-Butane diol diacrylate was used as the unsaturated carbonyl compound and piperazine as the nucleophilic compound. Various molecular weight polymers were obtained by varying the mol ratio of piperazine/1,4-butane diol diacrylate. The synthesized polymers were characterized by $^{1}H-NMR$ and their molecular weights were measured by gel permeation chromatography(GPC). The dependence of the molecular weight on the mol ratio was evaluated by the titration method. Also, the pH dependent turbidity of the polymers was determined by UV-Vis spectrophotometry. This pH dependent property of the polymers could be very useful for preparing drug carriers that are sensitive to pH.

Rejection Properties of Hydrophilic Solutes and Micro Organic Pollutants with a Hollow Fiber NF Membrane (중공사 나노여과 막분리를 이용한 친수성 용질과 미량 유기 오염물질의 배제 특성)

  • Jung, Yong-Jun;Min, Kyung-Sok
    • Journal of Korean Society on Water Environment
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    • v.21 no.2
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    • pp.205-210
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    • 2005
  • There has been a growing interest in NF membrane for drinking water treatment, because it can remove simultaneously both hardness and hazardous micro pollutants such as pesticides and THM precursors. In this work, a hollow fiber NF membrane known as a composite membrane was employed for the rejection properties of both hydrophilic solutes and micro organic pollutants, where the former was used to evaluate the molecular sieving effect of this membrane and the latter was employed for the investigation of solute-membrane interaction as hydrophobic materials. This membrane effectively rejected the hydrophilic solutes and the permeation of them was mainly controlled by the molecular sieving effects such as molecular weight and molecular width. In the case of all micro organic pollutants, the rejections were varied from 42.2% for Simazine to 91.6% for Malathion, and the parameters related to the steric hindrance could significantly play an important role in the rejection. In the batch type adsorption experiments, all micro organic pollutants were entrapped mildly on the membrane in spite of lower degree compared with that of aromatic compounds, and they were correlated with log K.

A Study on the Surface Analysis of Plasma-Treated PET Film (플라즈마 처리된 PET 필름의 표면분석에 관한 연구)

  • Lim Kyung-Bum;Choi Hoon-Young;Lee Seok-Hyun;Lee Duck-Chool
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.53 no.12
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    • pp.596-600
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    • 2004
  • In this study, the surface properties of PET film were analyzed after plasma surface treatment. After plasma treatment of surface roughness and XPS were evaluated to analyze the chemical property, while the surface potential decay and surface resistance rate was measured to analyze the electric관 characteristic. When plasma discharge treatment was conducted for less than 10 minutes, the electrical insulating property was improved by evaporation of low molecular weight materials and cleaning of surface. However, when the treatment was conducted for more than 10 minutes, the insulating property was decreased due to excessive discharge energy. Analyses of chemical characteristics showed that 10-minute treatment resulted in increase of C-O and O=C-O bonds. However, when treated for more than 10 minutes. they were relatively decreased.

Penetration depth and Wave Propagation in Random Media (무질서한 매질에서 침투깊이와 파동 전파)

  • Kim, Ki-Jun;Sung, Ki-Chun
    • Journal of the Korean Applied Science and Technology
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    • v.23 no.1
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    • pp.70-76
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    • 2006
  • The influence of fluorophor, scatterer, absorber in turbid materials by light scattering were interpreted for the scattered fluorescence intensity and wavelength, it is studied the molecular property by laser induced fluorescence spectroscopy. It can be found that the effects of optical property are penentrated in scattering media by the optical $parameters({\mu}s$, ${\mu}a$, ${\mu}t$, ${\gamma}$, ${\rho})$. The value of scattering coefficient ${\mu}s$ is large appeared by means of the increasing particles of scattering, it can be found that the slope appears exponentially as a function of distance from laser source to detector. It may also utilize in designing the best model for oil chemistry, laser medicine and application of medical engineering.

Effects of Surface Modification with Amino Terminated Polydimethylsiloxane(ATP) on the Corrosion Protection of Epoxy Coating

  • Shon, MinYoung
    • Corrosion Science and Technology
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    • v.8 no.3
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    • pp.103-109
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    • 2009
  • An epoxy coating was designed to give a hydrophobic property on its surface by modifying it with three types of Amino Terminated Polydimethylsiloxane (ATP), and then effects of the modification on the structure, surface hydrophobic tendency, water transport behavior and hence corrosion protectiveness of the modified epoxy coating were examined using FT-IR spectroscopy, hydrothermal cyclic test, and impedance test. The surface of epoxy coating was changed from hydrophilic to hydrophobic property due primarily to a phase separation tendency between epoxy and modifier by the modification. The phase separation tendency is more appreciable when modified by ATP with higher molecular weight ATP at higher content. Water transport behavior of the modified epoxy coating decreased more in that with higher hydrophobic surface property. The resistance to localized corrosion of the modified epoxy coated carbon steel was well agreed with its water transport behavior and hydrophobic tendency.

Correlation between Property of Bituminous Concrete and Chromatogram of Asphalt Cement Used (역청콘크리트의 성질과 아스팔트 시멘트 크로마토그램과의 상관관계)

  • 김광우;연규석;박제선
    • Proceedings of the Korea Concrete Institute Conference
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    • 1990.10a
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    • pp.107-112
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    • 1990
  • Chromatograms of asphalt cements were observed using high pressure - gel permeation chromatography (HP-GPC). The chromatogram characterzed profile of molecular size distribution of asphalt cements. Bituminous concretes using the asphalt cements were prepared in laboratory to measure mechanical properties, tensile strength (TS) and resilient modulus (MR), in dry and wet conditions. Three sources of AC-20 Asphalt cements and one aggregates were used for GPC test and strength test. Results of mechanical property tests and GPC tests were analyzed to evaluate correlation between those two results. Regression analysis showed strong correlation between a mechanical property and sliced percent areas of GPC profile. Mathematical models were developed for estimating mechanical properties of asphalt cement concrete based on HP-GPC data.

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