• 제목/요약/키워드: Intermolecular interaction

검색결과 130건 처리시간 0.028초

Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권4호
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    • pp.250-257
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    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.

Crystal Structure Analysis of Methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

  • Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권3호
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    • pp.184-191
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    • 2015
  • The crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}NO_4$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the orthorombic space group $P2_12_12_1$ with unit cell dimension $a=9.8320(17){\AA}$, $b=9.9890(18){\AA}$ and $c=15.588(3){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=90^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...O and C-H...N hydrogen bond interaction.

Surface-Induced Self-Assembly of Conjugated Organic Molecules for High-Performance Organic Thin Film Transistors

  • Cho, Kil-Won
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.162-163
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    • 2006
  • Control over surface induced self-assembly of electronically active pi-conjugated molecules provides great opportunities to fine-tune and optimize their electrical properties in organic electronics. In this study, with the aim of enhancing the electrical performances by promoting surface induced two-dimensional self-assembly in representative pi-conjugated molecules such as poly (3-hexylthiophene) and pentacene, we have controlled the intermolecular interaction at the interface between pi-conjugated molecules and substrate by using self-assembled monolayers functionalized with various groups. We will discuss the dependency of pi-conjugated molecules on the specific properties of the substrate surface and the effect of surface induced self-assembly on electrical performances in organic transistors.

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Origin of Green Emission in Extremely Pure Oligofluorene Films: Effect of Molecular Packing

  • Kang, Ji-Hoon;Shin, Na-Yool;Jo Jung-Ho;Keivanidis Panagiotis E.;Laquai Frederic;Wegner Gerhard;Yoon, Do-Y.
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.236-236
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    • 2006
  • Time-resolved photoluminescence spectroscopy measurements of oligofluorenes with various side chains were studied. With extremely pure oligofluorenes, two kinds of red-shifted green emission were observed which have different origins; aggregate formation and on-chain chemical defect. The green emission around 490 nm was largely dependent upon the intermolecular interaction of oliglfuorene molecules. Moreover, by using oligofluorene with high-order liquid crystalline phase, we observed that the green emission was strongly dependent upon the molecular packing in solid films.

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Liquid Crystal Alignment on Treated Surfaces

  • Chung, Doo-Han;Shioda, Tatsutoshi;Okada, Yoshinori;Park, Byoung-Choo;Takezoe, Hideo
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2003년도 International Meeting on Information Display
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    • pp.1088-1091
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    • 2003
  • We have studied liquid crystal orientation on rubbed and photoaligned polymer surfaces. The following topics will be presented; (1) visualization of nonuniformity of rubbing, (2) competition between grooves and photoalignment and (3) alignment process of 5CB evaporated on treated surfaces. Through these topics, the importance of the intermolecular liquid crystalline interaction will be emphasized.

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Domain Structure of Liguid Water According to the Theory of Intermolecular Forces

  • 전무식;조웅인
    • 대한화학회지
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    • 제16권3호
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    • pp.135-141
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    • 1972
  • In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

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Novel Linking Ligand Containing Sulfur-Donor Atoms and Its Compounds of Palladium and Silver

  • Lee, Hee-K.;Lee, Soon-W.
    • Bulletin of the Korean Chemical Society
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    • 제28권3호
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    • pp.421-426
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    • 2007
  • A linking ligand containing sulfur donor atoms in the terminal thiophene rings, 1,2-bis(thiophen-2-ylmethylene) hydrazine (L), was prepared by Schiff-base condensation. Ligand L reacted with [PdCl2(NCPh)2] to produce a molecular Pd compound [PdL2Cl2] (1). On the other hand, it reacted with AgNO3 and AgClO4 to produce a 2-D network [AgL0.5(NO3)] (2) and a 1-D polymer [AgL]ClO4 (3), respectively, whose structures are based on secondary intermolecular forces such as H-bonding, van der Waals interaction, and π-π stacking. Polymer 2 exhibited photoluminescence at room temperature in the solid state.

Poly(N,N-dimethylamino ethyl methacrylate)와 PEG로 이루어진 블록공중합체 합성 및 나노복합체 형성 (Synthesis of Block Copolymers Composed of Poly(N,N-dimethylamino ethyl methacrylate) and PEG and Formation of Nanoaggregation)

  • 김은정;최호석;이지나;박기동;육순홍
    • 폴리머
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    • 제24권6호
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    • pp.854-859
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    • 2000
  • N,N-dimethylamino ethyl methacrylate(DMAEMA)와 poly(ethylene glycol) (PEG)로 이루어진 블록 공중합체를 합성하였고, 그 구조를 FT-IR, DSC, 및 $^1$H-NMR로 확인하였다. 준비된 poly(DMAEMA))-PEG 블록 공중합체 수용액에 poly(ethyl acrylamide)(PEAAm)를 첨가하면 블록 공중합체의 DMAEMA와 poly(EAAm) 사이에서 일어나는 수소결합에 의해 나노복합체가 형성되었다. 나노복합체는 임계미셀농도 이상의 농도에서 이루어졌다.

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Multiple Functions of the Amino-terminal Domain of Bacteriophage Lambda Integrase: A New Member of Three-stranded $\beta-sheet$ DNA-binding Proteins

  • Cho Eun Hee
    • 한국미생물학회:학술대회논문집
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    • 한국미생물학회 2002년도 추계학술대회
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    • pp.159-161
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    • 2002
  • Bacteriophage lambda integrase carries out the site-specific recombination of lambda. Integrase contains two DNA binding domains with distinct sequence specificity, namely arm-type binding and core-type binding domains. The amino-terminal arm-binding domain is structurally related to the three-stranded $\beta-sheet$ family of DNA-binding domains. Integrase binding to the high affinity arm-type site by the amino-terminal domain facilitates Int binding to the low affinity core-type site, where the cleavage and strand exchange occurs. The amino-terminal domain of Int also modulates the core-binding and catalysis through intramolecular domain-domain interaction and/or intermolecular interactions between Int monomers. In addition, the amino-terminal domain interacts cooperatively with excisionase during excision. This indicates that amino-terminal domain of Int plays an important role in formation of proper higher-order nucleoprotein structure required for lambda site-specific recombination.

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Advanced Cryo-Electron Microscopy Technology: High Resolution Structure of Macromolecules

  • Chung, Jeong Min;Jung, Hyun Suk
    • Applied Microscopy
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    • 제46권1호
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    • pp.1-5
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    • 2016
  • Recent cryo-electron microscopy (EM) studies reported the structure of various types of proteins at high resolution which is sufficient to visualize the intermolecular interaction at near atomic level. There are two main factors that cause the advances in cryo-EM; the development of image processing techniques, such as single particle analysis, and the improved electron detection devices. Although the atomic structures of small and asymmetric proteins are not yet to be determined by cryo-EM, this striking improvement implies the bright prospect of the application in biomedical studies. This study reviews the recently published studies reported high resolution structures using improved imaging analysis techniques and electron detectors. Furthermore, we will discuss about the future aspects of cryo-EM application.