• Title/Summary/Keyword: functional compound

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Spherical arrangement of biomimetic polymer photonic structures (자연모사를 통한 미세 고분자 포토닉 구조의 구면배열에 관한 연구)

  • Jeong, Ki-Hun
    • Proceedings of the KSME Conference
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    • 2007.05a
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    • pp.403-404
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    • 2007
  • Compound eyes in nature present intriguing topics in physiological optics due to their unique optical scheme for imaging. For example, a bee's eye has thousands of integrated photonic units called ommatidia spherically arranged along a curvilinear surface so that each unit points in a different direction. The omni-directionally arranged ommatidium collects incident light with a narrow range of angular acceptance and independently contributes to the capability of wide field-of-view (FOV) detection. Artificial implementation of compound eyes has attracted a great deal of research interest because the wide FOV exhibits a huge potential for medical, industrial, and military applications. So far, imaging with a FOV over $90^{\circ}$ has been achieved only with fisheye lenses which rely on bulky and expensive multiple lenses and require stringent alignment. In this talk, we will discuss about the spherical 3D arrangement of the photonic structures of biologically inspired artificial compound eyes in a small form-factor to have and the functional and anatomical similiarity with natural compound eyes.

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Experimental and Computational Approaches to the Molecular Structure of 3-(2-Mercaptopyridine)phthalonitrile

  • Tanak, Hasan;Koysal, Yavuz;Isik, Samil;Yaman, Hanifi;Ahsen, Vefa
    • Bulletin of the Korean Chemical Society
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    • v.32 no.2
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    • pp.673-680
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    • 2011
  • The compound 3-(2-Mercaptopyridine)phthalonitrile has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound in solvent media was examined using the B3LYP method with the 6-31G(d) basis set by applying the Onsager and polarizable continuum model. Using the TD-DFT and TD-HF methods, electronic absorption spectra of the title compound have been predicted and good agreement with the TD-DFT method and the experimental determination was found. The predicted nonlinear optical properties of the title compound are much greater than those of urea. Besides, molecular electrostatic potential of the title compound were investigated by theoretical calculations. The thermodynamic properties of the compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained.

A Method for Absolute Determination of the Surface Areal Density of Functional Groups in Organic Thin Films

  • Min, Hyegeun;Son, Jin Gyeong;Kim, Jeong Won;Yu, Hyunung;Lee, Tae Geol;Moon, Dae Won
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.793-797
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    • 2014
  • To develop a methodology for absolute determination of the surface areal density of functional groups on organic and bio thin films, medium energy ion scattering (MEIS) spectroscopy was utilized to provide references for calibration of X-ray photoelectron spectroscopy (XPS) or Fourier transformation-infrared (FT-IR) intensities. By using the MEIS, XPS, and FT-IR techniques, we were able to analyze the organic thin film of a Ru dye compound ($C_{58}H_{86}O_8N_8S_2Ru$), which consists of one Ru atom and various stoichiometric functional groups. From the MEIS analysis, the absolute surface areal density of Ru atoms (or Ru dye molecules) was determined. The surface areal densities of stoichiometric functional groups in the Ru dye compound were used as references for the calibration of XPS and FT-IR intensities for each functional group. The complementary use of MEIS, XPS, and FT-IR to determine the absolute surface areal density of functional groups on organic and bio thin films will be useful for more reliable development of applications based on organic thin films in areas such as flexible displays, solar cells, organic sensors, biomaterials, and biochips.

Cloning and Characterization of Ginsenoside-Hydrolyzing β-Glucosidase from Lactobacillus brevis That Transforms Ginsenosides Rb1 and F2 into Ginsenoside Rd and Compound K

  • Zhong, Fei-Liang;Ma, Rui;Jiang, Mingliang;Dong, Wei-Wei;Jiang, Jun;Wu, Songquan;Li, Donghao;Quan, Lin-Hu
    • Journal of Microbiology and Biotechnology
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    • v.26 no.10
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    • pp.1661-1667
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    • 2016
  • The ginsenoside-hydrolyzing β-glucosidase gene (bgy2) was cloned from Lactobacillus brevis. We expressed this gene in Escherichia coli BL21(DE3), isolated the resulting protein, and then utilized the enzyme for the biotransformation of ginsenosides. The bgy2 gene contains 2,223 bp, and encodes a protein of 741 amino acids that is a member of glycosyl hydrolase family 3. β-Glucosidase (Bgy2) cleaved the outer glucose moieties of ginsenosides at the C-20 position, and the inner glucose at the C-3 position. Under optimal conditions (pH 7.0, 30℃), we used 0.1 mg/ml Bgy2 in 20 mM sodium phosphate buffer (PBS) for enzymatic studies. In these conditions, 1.0 mg/ml ginsenoside Rb1 and ginsenoside F2 were converted into 0.59 mg/ml ginsenoside Rd and 0.72mg/ml compound K, with molar conversion productivities of 69% and 91%, respectively. In pharmaceutical and commercial industries, this recombinant Bgy2 would be suitable for producting ginsenoside Rd and compound K.

Synthesis of Phenolbetaine Derivatives : Introduction of Functional Groups to C-ring and Chemical Transformation of BC-ring of Protoberberine (페놀베타인 유도체합성 : 프로토베르베린에서 C-환의 관능기도입 및 BC-환의 화학적 변환)

  • Woo, Seong-Ju;Hwang, Soon-Ho;Park, Yea-Jin;Hong, You-Hwa;Lee, Ma-Se;Kim, In-Jong;Kim, Sin-Kyu
    • YAKHAK HOEJI
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    • v.40 no.6
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    • pp.621-624
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    • 1996
  • Betaine was treated with hydrochloric acid and then with sodium borohydride to give a hydroxy compound 2. The reaction of 2 with thionyl chloride followed by thiourea led a comp ound 5. Oxidation of compound 2 with pyridinium dichromate(PDC) and succesive treatment with Lawesson's reagent also afforded the same compound 5. Cleavage of N-C14 bond compound of 7 was carried out via two reaction sequence from the compound 4. Finally, compound 10 was sythesized by a series of transformations from the compound 4.

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Scheduling Scheme for Compound Nodes of Hierarchical Task Graph using Thread (스레드를 이용한 계층적 태스크 그래프(HTG)의 복합 노드 스케쥴링 기법)

  • Kim, Hyun-Chul;Kim, Hyo-Cheol
    • Journal of KIISE:Computer Systems and Theory
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    • v.29 no.8
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    • pp.445-455
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    • 2002
  • In this paper, we present a new task scheduling scheme ior the efficient execution of the tasks of compound nodes of hierarchical task graph(HTG) on shared memory system. The proposed scheme for exploitation functional parallelism is autoscheduling that performs the role of scheduling by processor itself without any dedicated global scheduler. To adapt the proposed scheduling scheme for various platforms, Including a uni-processor systems, Java threads were used for implementation, and the performance is analyzed in comparison with a conventional bit vector method. The experimental results showed that the proposed method was found to be more efficient in its execution time and exhibited good load-balancing when using the experimental parameter values. Furthermore, the memory size could be reduced when using the proposed algorithm compared with a conventional scheme.

Influence of Nano Silica Dispersant on Hydration Properties of Cementitious Materials (시멘트의 수화특성에 대한 유·무기 복합 나노실리카의 영향)

  • Kang, Hyun-Ju;Song, Myong-Shin;Park, Jong-Hun;Song, Su-Jae
    • Journal of the Korean Ceramic Society
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    • v.48 no.6
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    • pp.510-515
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    • 2011
  • In this study, as a material used to replace silica fumes for high strength concrete, nano-silica compound with organic functional group for dispersion and with inorganic silica group that can cause a pozzolan reaction is synthesized, These nano silica compound is divided into IC, which is nano size $SiO_2$ with irregularly combined hydroxyl group and carboxyl group, and RC, which is nano size $SiO_2$ with regularly combined hydroxyl group and carboxyl group. The effects of these nano silica compound on the hydration of cement are reviewed. As a result, all of synthesized nano-silica compounds have excellent dispersion on the cement flow, we think that dispersion property is the effect of air entraining by synthesized nano-silica compounds. The result of the microstructure observation showed that the particle size of the synthesized nano-silica is smaller than silica fume and spread evenly among the cement particles. In initial The phenomenon of strength decreasing occurred due to delayed hydration reaction by the synthesized nano-silica with carboxyl(-COOH) and hydroxyl(-OH) functional group.

Theoretical Study of the N-(2,5-Methylphenyl)salicylaldimine Schiff Base Ligand: Atomic Charges, Molecular Electrostatic Potential, Nonlinear Optical (NLO) Effects and Thermodynamic Properties

  • Zeyrek, Tugrul C.
    • Journal of the Korean Chemical Society
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    • v.57 no.4
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    • pp.461-471
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    • 2013
  • Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.