• Title/Summary/Keyword: atom

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Property Changes due to Numbers of Nitrogen Atom Bonded at Ethyl Group, Included in Main Chain of Curing Agents of DGEBGF/Linear Amino Systems (DGEBF/선형아민 계에서의 경화제 주쇄에 포함된 에틸기에 결합된 질소원자 개수에 따른 물성변화 연구)

  • Myung In-Ho;Lee Jae-Rock
    • Composites Research
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    • v.17 no.6
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    • pp.44-51
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    • 2004
  • To determine the effect of numbers of nitrogen atom bonded at ethyl group included in main chain of linear amine curing agents of epoxy-cure systems on the thermal and mechanical properties, standard epoxy resin DGEBF was cured with DETA, TETA and TEPA in a stoichiometrically equivalent ratio. From this work, the effect of curing agents of the DGEBF/amine systems oil the thermal and mechanical properties was significantly influenced by numbers of nitrogen atom of curing agents. The results showed that heat of reaction increased, and maximum exothermic temperature decreased with the decrease of numbers of nitrogen atom. In case of cured systems, density and maximum conversion(%) had no relation to numbers of nitrogen atom, but flexural modulus and tensile modulus increased with the decrease of numbers of nitrogen atom in main chain. Thermal stability, shrinkage(%), Tg, tensile and flexural strength showed irregular tendency having nothing to do with numbers of nitrogem atom at a sight. This findings imply that the differences in the maximum conversion(%) about the chain length of curing agents affect the thermal and mechanical properties.

Application of Molecular Orbital Theory to Biological chemistry (II). Interactions of Chemical Carcinogens with DNA Bases (分子軌道論의 生物化學에의 應用 (第 2 報). 發癌物質과 DNA 鹽基와의 相互作用)

  • Ho-Soon Kim;Yoon-Yul Park;Byung-Kak Park
    • Journal of the Korean Chemical Society
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    • v.24 no.4
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    • pp.280-287
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    • 1980
  • The interactions of chemical carcinogens, such as polycyclic aromatic hydrocarbons, dimethylaminoazobenzene (DAB) and its derivatives and heterocyclic compounds with tissue components, especially with deoxyribonucleic acid (DNA), were examined by means of simple Huckel method. Assuming that the formations of a loose molecular complex between the carcinogens and the tissue components are the first step of chemical carcinogenesis, the most proble orientation between the chemical carcinogens and adenine-thymine (A=T) pair or guanine-cytosine $(G\equivC)$ pair is determined. It has been found that, in the case of the formation of molecular complex between chemical carcinogens and A=T pair, the two atoms of K-region of the carcinogens and the atom of L-region in the proximity of their K-region are combined correspondingly with C-l' carbon atom in the sugar that is attached to thymine, N-1 nitrogen atom and C-5 carbon atom in the thymine part of A=T pair, while, in the case of that between the carcinogens and $G\equivC$ pair, the above three atoms of the carcinogens are combined correspondingly with C-8 carbon atom, N-9 nitrogen atom and N-3 nitrogen atom in the guanine part of $G\equivC$ pair.

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Mg Atom Substitution for Nonstoichiometric Na+ β-Alumina: A First Principles Study (비화학양론적 Na+β-alumina를 위한 Mg 원자의 치환: 제일원리 계산)

  • Kim, Dae-Hyun;Kim, Dae-Hee;Jeong, Yong-Chan;Seo, Hwa-Il;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.20 no.2
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    • pp.55-59
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    • 2010
  • $Na^+$ ion conductivity can be improved by the substitution of an Mg atom for an Al atom to form a nonstoichiometric $Na^+$ $\beta$-alumina. We performed a first principles study to investigate the most stable substitution site of an Mg atom and the resulting structural change of the nonstoichiometric $Na^+$ $\beta$-alumina. Al atoms were classified as four different layers in the spinel block that are separated by conduction planes in the nonstoichiometric $Na^+$ $\beta$-alumina. The substitution of an Mg atom for an Al atom at a tetragonal site was more favorable than that at an octahedral site. The substitution in the spinel block was more favorable than that close to the conduction plane. This result was well explained by the volume changes of the polyhedrons, by the standard deviation of the Mg-O distance, and by the comparison with bulk MgO structure. Our result indicates that the most preferable site for the Mg atom was the tetrahedral site at the spinel block in the nonstoichiometric $Na^+$ $\beta$-alumina.

A Study on Some Types of Separable Syntactic Atoms in Korean (분리성 통사원자의 유형별 검토)

  • Lee, Ho-Seung
    • Cross-Cultural Studies
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    • v.38
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    • pp.433-459
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    • 2015
  • This paper aims at a better understanding of the concept of korean separable syntactic atom, of which inner parts is separable in syntax, and at examining whether or not this concept can apply to derivatives, functional complex constructions, idiomatic expressions in korean. I defined a syntactic atom as a minimum unit which is drawn directly from lexicon and then is applied to syntactic rules. And I insist that so-called 'lexical island constraint' has some problems and that the syntactic rules can be applied to inner parts of syntactic atom, if the syntactic rules is irrelevant to new syntactic atom formation. The greater part of derivatives is non-separable syntactic atoms. But the likes of '반짝거리다', '죄송스럽다', '칭얼대다' are the separable syntactic atoms. The degree of separability of them is different in the insertion of korean particles or negative adverbs and the omission of root of sytactic atom. The derivatives of 'X-적', of which roots is regular nominal roots, permit the syntactic link between roots and the syntactic combination of the root and its argument. These kinds of derivatives is separable syntactic atoms. Also the derivatives of 'bracket paradox' and 'X-답-' derivatives is separable syntactic atoms. All functional complex constructions are not separable syntactic atoms. According to the degree of grammaticalization, inner parts of some are separable, some is non-separable. Separable functional complex constructions only permit the switching of endings or Josas but not application of other syntactic rules. All idiomatic expressions which are composed of two or more syntactic atoms are separable syntactic atoms. Some of them have so strong separability to allow the insertion of syntactic atom, adverb or adnominal modification and the noun in idiomatic expression to become the head of the relative clause. And some idiomatic expressions which have weak separability only permit interrogative's substitution or form change in fraction of idiomatic expressions.

The Chemical Bond of Cu Atom in Layer and Chain for Y123 and Y124 Superconductors (Y123 초전도체 및 Y124 초전도체에서 층과 사슬에 존재하는 구리 원자의 화학결합)

  • Man Shick Son;U-Hyon Paek;Lee Kee-Hag
    • Journal of the Korean Chemical Society
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    • v.36 no.4
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    • pp.477-484
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    • 1992
  • Using semiempirical molecular orbital method, ASED-MO of extended Huckel Theory, we were investigated chemical bonds and electronic properties of Cu atom in a chain and a layer for Y123 and Y124 superconductors from VEP (valence electron population), DOS (density of state), and COOP (crystal orbital overlap population). In order to investigate environmental effects of Cu atom for Y123 and Y124 superconductors, we introduced charged cluster models with point charge and without point charge into our calculations. As a result of ASED-MO calculations, the Cu atom in the layer acts as electron acceptor and the Cu atom in the chain acts as electron donor for Y123 and Y124 superconductors. The oxidation state of Cu atom for Y123 and Y124 superconductors without point charge is higher in the chain than in the layer. The oxidation state of Cu atom in the layer for Y123 superconductor is higher than that in the layer for Y124 superconductor. The Cu atom in the layer and the chain for Y123 superconductor does not largely affect on the environmental effect. However, the Cu atom in the layer and the chain for Y124 superconductor does largely affect on it. Also, electron population and chemical bonding of Cu1-O4, Cu2-O4, and Cu1-Cu2 for Y123 superconductor are far different from Y124 superconductor.

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Syntheses, Structures, and Characterization of Two Novel Copper(II) and Cadmium(II) Compounds Based on Pyridyl Conjugated 1,2,3-Triazole

  • Hong, Jin-Long;Qu, Zhi-Rong;Ma, Hua-Jun;Wang, Gai-Gai;Zhao, Hong
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1495-1500
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    • 2014
  • Two new complexes with 5-methyl-1-(pyridine-3-yl)-1H-1,2,3-triazole-4-carboxylic acid (Hmptc) ligand: [$Cd(mptc)_2(H_2O)_4$] (1) and $[Cu(mptc)_4{\cdot}2H_2O]_n$ (2) were prepared and their crystal structures were determined by single crystal X-ray diffraction analyses. In complex 1, the Cd(II) ions coordinates with the pyridyl nitogen atom from the Hmptc ligand, forming a mononuclear Cd(II) compound. Complex 2 exhibits a novel two-dimensional (2D) polymer in which four Hmptc ligands stabilize the Cu(II) atom. And the coordination involves one nitrogen atom of the triazole, one oxygen atom of the carboxylic acid and the pyridyl nitrogen atom. In addition, FT-IR and solid-state fluorescent emission spectroscopy of two compounds have been determined.

Hydrothermal Synthesis, Crystal Structure and EPR Property of Tetranuclear Copper(II) Cluster [Cu4OCl6(C14H12N2)4]

  • Jian, Fang-Fang;Zhao, Pu-Su;Wang, Huan-Xiang;Lu, Lu-De
    • Bulletin of the Korean Chemical Society
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    • v.25 no.5
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    • pp.673-675
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    • 2004
  • The tetranuclear copper(II) cluster compound $[Cu_4OCl_6(C_{14}H_{12}N_2)_4]$ has been synthesized by hydrothermal reaction and studied by X-ray diffraction. The four copper(II) atoms locate four capsheaves of a tetrahedral skeletal structure and a oxygen atom as interstitial atom occupies the center position of the same tetrahedron, and each edge of the Cu-Cu tetrahedron is bridged by one ${\mu}_2$-Cl anion. The copper atom possesses slightly distorted trigonal bipyramidal geometry with three ${\mu}_2$-Cl atoms in equatorial position and the interstitial O atom and one N atom from 3-benzyl-benzimidazole ligand occupying axial position. The Cu-Cu distances are in the range of 3.0986-3.1162 ${\AA}$. The EPR spectrum suggested that the copper(II) ground state $d_{x2-y2}$ and the coordination geometry was trigonal bipyramidal.

Nano Scale Compositional Analysis by Atom Probe Tomography: II. Applications on Electronic Devices and Nano Materials (Atom Probe Tomography를 이용한 나노 스케일의 조성분석: II. 전자소자 및 나노재료에서의 응용)

  • Jung, Woo-Young;Bang, Chan-Woo;Jang, Dong-Hyun;Gu, Gil-Ho;Park, Chan-Gyung
    • Applied Microscopy
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    • v.41 no.2
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    • pp.89-98
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    • 2011
  • Atom Probe Tomography (APT) can provide 3-dimensional information such as position and chemical composition with atomic resolution. Despite the ability of this technique, APT could not be applied for poor conductive materials such as semiconductor. Recently APT has dramatically developed by applying the laser pulsing and combining with Focused Ion Beam (FIB). The invention and combination of these techniques make possible site-specific sample preparation and permit the investigation of various materials including insulators. In this paper, we introduced the recently achieved state of the art applications of APT focusing on Si based FET devices, LED devices, low dimensional materials.

Nano Scale Compositional Analysis by Atom Probe Tomography: I. Fundamental Principles and Instruments (Atom Probe Tomography를 이용한 나노 스케일의 조성분석: I. 이론과 설비)

  • Jung, Woo-Young;Bang, Chan-Woo;Gu, Gil-Ho;Park, Chan-Gyung
    • Applied Microscopy
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    • v.41 no.2
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    • pp.81-88
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    • 2011
  • Even though importance of nano-scale structure and compositional analysis have been getting increased, existing analysis tools have been reached to their limitations. Recent development of Atom Probe Tomography (APT), providing 3-dimensional elemental distribution and compositional information with sub-nm scale special resolution and tens of ppm detection limit, is one of key technique which can overcome these limitations. However, due to the fact that APT is not well known yet in the domestic research area, it has been rarely utilized so far. Therefore, in this article, the theoretical background of APT was briefly introduced with sample preparation to help understanding APT analysis.