• Title/Summary/Keyword: Packing Structure

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The Crystal and Molecular Structure of Phlorizin Dihydrate

  • Shin, Whan-Chul
    • Bulletin of the Korean Chemical Society
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    • v.6 no.1
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    • pp.7-11
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    • 1985
  • The crystal structure of phlorizin, a ${\beta}$ -D-glucopyranoside of a flavonoid dihydrochalcone phloretin, has been determined by single crystal diffraction methods using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Cu $K{\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 4.9094 (2), b = 19.109 (1), c = 23.275 (4) $\AA$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.047 for the 1697 observed reflections. The dihydrochalcone moiety is flat and fully extended. The glucose ring has the $^4C_1$ chair conformation and the conformation of the primary alcohol group is gauche-gauche. The crystal packing is dominated by an extensive hydrogen bonding pattern. There are one strong and two weak intramolecular hydrogen bonds in the phlorizin molecule.

Crystal Structure of Antiinflammatory Sulindac

  • Koo Chung Hoe;Kim Sang Hern;Shin Wanchul
    • Bulletin of the Korean Chemical Society
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    • v.6 no.4
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    • pp.222-224
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    • 1985
  • The crystal structure of sulindac, $C_{20}H_{17}Fo_3S$, one of the nonsteroid antiinflammatory agents, has been determined by the X-ray diffraction techniques using diffractometer data obtained by the $\varpi-2{\theta}$ scan technique with Cu $$K_{\alpha}$$ radiation from a crystal with space group symmetry Pbca and unit cell parameters a = 8.166(1), b = 18.291(8), c = 23.245(10) ${\AA}.$ The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.11 for the 1153 observed reflections. The carboxyl group is nearly perpendicular to the indenyl ring as observed in indomethacin. The dihedral angle between the indenyl and phenyl rings is $35^{\circ}while$ the corresponding angle in indomethacin is $67^{\circ}.$ Crystal packing consists of a hydrogen bond and partial ring stacking between the indenyl rings.

The Structure and Energy of D-Sorbitol from an Empirical force-Field (Empirical Force-Field 방법에 의한 D-Sorbitol 의 구조와 에너지에 관한 연구)

  • Park Young Ja
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.104-110
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    • 1985
  • Empirical force-field method has been applied to D-sorbitol, the crystal structure of which has been studied by the single crystal X-ray and neutron diffraction analyses. The calculated C-C bond lengths agree with those observed within 0.009${\AA}$. The C-O bond lengths show a larger deviation of 0. 023${\AA}$. The calculated C-C-C and C-C-O valence angles agree with those observed within $2.3^{\circ}$ and $1.9^{\circ}$respectively. Because torsion angles are influenced by packing forces, they show considerably flarger r. m. s. deviations. Calculations of the conformational energies of the model compound at selected C(1)-C(2)-C(3)-C(4) torsion angles made with the program MMI, produced result that the prediction of the observed preferred conformation of the carbon chain appeares to be less satisfactory.

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The Effect of Si3N4 Addition on Nitriding and Post-Sintering Behavior of Silicon Powder Mixtures

  • Park, Young-Jo;Ko, Jae-Woong;Lee, Jae-Wook;Kim, Hai-Doo
    • Journal of the Korean Ceramic Society
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    • v.49 no.4
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    • pp.363-368
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    • 2012
  • Nitriding and post-sintering behavior of powder mixture compacts were investigated. As mixture compacts are different from simple Si compacts, the fabrication of a sintered body with a mixture composition has engineering implications. In this research, in specimens without a pore former, the extent of nitridation increased with $Si_3N_4$ content, while the highest extent of nitridation was measured in $Si_3N_4$-free composition when a pore former was added. Large pores made from the thermal decomposition of the pore former collapsed, and they were filled with a reaction product, reaction-bonded silicon nitride (RBSN) in the $Si_3N_4$-free specimen. On the other hand, pores from the decomposed pore former were retained in the $Si_3N_4$-added specimen. Introduction of small $Si_3N_4$ particles ($d_{50}=0.3{\mu}m$) into a powder compact consisting of large silicon particles ($d_{50}=7{\mu}m$) promoted close packing in the green body compact, and resulted in a stable strut structure after decomposition of the pore former. The local packing density of the strut structure depends on silicon to $Si_3N_4$ size ratio and affected both nitriding reaction kinetics and microstructure in the post-sintered body.

High Breakdown-Voltage AlGaN/GaN High Electron Mobility Transistor having a Trapezoidal Gate Structure (사다리꼴 게이트 구조를 갖는 고내압 AlGaN/GaN HEMT)

  • Kim, Jae-Moo;Kim, Su-Jin;Kim, Dong-Ho;Jung, Kang-MIn;Choi, Hong-Goo;Hahn, Cheol-Koo;Kim, Tae-Geun
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.46 no.4
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    • pp.10-14
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    • 2009
  • We propose a trapezoidal gate AlGaN/GaN high electron mobility transistor(HEMT) to improve the breakdown voltage characteristics and its feasibility is investigated by two-dimensional device simulations. The use of a trapezoidal gate structure appears to be quite effective in dispersing the electric fields concentrated near the gate edge on the drain side from the simulation result. We find that a peak value of the electric field along the 2-DEG channel is reduced by 30%, from 4.8 to 3.5 MV/cm and thereby, the breakdown voltage(Vbr) of the proposed AlGaN/GaN HEMT is increased by about 40%, from 49 to 69 V, compared to those of the standard AlGaN/GaN HEMT.

A Study of Relations of Chain Lengths and Properties for Bifunctional linear DGEBF/Linear Amino (EDA, HMDA) Cure Systems (선형 이관능성 DGEBF/선형아민(EDA, HMDA) 경화계의 경화제 사슬길이와 물성과의 관계에 대한 연구)

  • Myung In-Ho;Lee Jae-Rock
    • Composites Research
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    • v.17 no.6
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    • pp.37-43
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    • 2004
  • To determine the effect of chain length and chemical structure of linear amine curing agents on thermal and mechanical properties, a standard bifunctional linear DGEBF epoxy resin was cured with EDA and HMDA having amine group at the both ends of main chain in a stoichiometrically equivalent ratio in condition of preliminary and post cure. From this work, the effect of linear amine curing agents on the thermal and mechanical properties is significantly influenced by numbers of carbon atoms of main chain. In contrast, the results show that the DCEBF/EDA system having two carbons had higher values in the thermal stability, density, shrinkage (%), grass transition temperature, tensile modulus and strength, flexural modulus and strength than the DGEBF/HMDA system having six carbons, whereas the DGEBF/EDA cure system had relatively low values in maximum ekothermic temperature, maximum conversion of epoxide, thermal expansion coefficient than the DGEBF/HDMA cure system. These findings indicate that the packing capability (rigid property) in the EDA structure affects the thermal and mechanical properties predominantly. It shows that flexural fracture properties have a close relation to flexural modulus and strength.

A Study on the Dispersion Characteristics of PP/MMT Composites (PP/MMT 복합체의 분산특성에 관한 연구)

  • 김규남;김형수
    • Polymer(Korea)
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    • v.24 no.3
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    • pp.374-381
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    • 2000
  • Composites of polypropylene (PP) and organically modified montmorillonite (org-MMT) were prepared by melt mixing in an intensive mixer. Three grades of PP's having different melt viscosities were employed to investigate the dispersion characteristics of the composites with various org-MMT's. Depending on the matrix viscosity and nature of the interlayer in org-MMT significant variations of the phase structure were found. Under the constant mixing condition and matrix viscosity, intercalation of PP chains into the interlayer of org-MMT was possible when initial interlayer distance and packing density were maintained in the optimum range; by which the loss in entropy associated with the confinement of polymer chains was compensated. The state of org-MMT particle dispersion was improved by increasing the matrix viscosity only in the case that dispersed phase is suitable for intercalation process thermodynamically, otherwise little variation was occurred regardless of the matrix viscosity. Due to the lack of specific interaction between PP and erg-MMT considered here, although the intercalation was possible for an appropriate org-MMT, the composites revealed unstable phase structure upon increasing the mixing time, which was characterized by agglomeration of the org-MMT domains.

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Ab initio Studies on Acene Tetramers: Herringbone Structure

  • Park, Young-Hee;Yang, Ki-Yull;Kim, Yun-Hi;Kwon, Soon-Ki
    • Bulletin of the Korean Chemical Society
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    • v.28 no.8
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    • pp.1358-1362
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    • 2007
  • The structures, energetics and transfer integrals of the acene tetramers up to pentacene are investigated with the ab initio molecular orbital method at the level of second-order Møller-Plesset perturbation theory (MP2). Calculated geometries for the herringbone-style structures found in the crystal structure were characterized as local minima, however the geometrical discrepancy between crystal and MP2 theoretical structure is reasonably small. The binding energy of pentacene tetramer was calculated up to 40 kcal/mol (MP2/6-31G(d)) and about 90 kcal/mol (MP2/aug-cc-pVDZ), and the latter seems to be too much overestimated. The tendency of the hole transfer integrals computed with ab initio MP2/3-21G(d) geometry is well agreement with those estimated with crystal structure with some discrepancy, and the gradual increment of the transfer integrals at the crystal geometry is attributed to mainly packing structure rather than the intrinsic property of acene such as a size of acene.

X-ray Analys is of the Thermotropic Liquid Crystalline Copolyester Poly(1 -phenylethylpphenylene-tere phthalate) (열방성 액정폴리에스터Poly(1-phenylethyl.p-phenyleneterephthalate)의 X-선 결정구조해석)

  • 홍성권
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.13-21
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    • 1991
  • X-ray methods have been used to determine the chain conformation and packing of the thermotropic liquid crystalline copolyester prepared from 50% tarephthaloyl chloride(TPA) and 50% (1-phenylethyl) hydroquinone(PEHQ). The x-ray patterns of annealed melt-spun fibers contain a series of annealed melt-Pointing to a well ordered crystalline structure, despite the random sense(2 or 3-) of the 1-phenylethyl substiuttion on the TPA-hydroquinone backbone. The crystalline fiber is monoclinic with space group P2l and the unit cell has dimensions 11=12.77 A, b=10.17 A (upique axis), c=12.58 h (fiber axis). and β=90.1° and contains TPA-PEHO units of to or chains. The random substitution of 1-phenylethyl groups was modelled by placing these groups at both the 2and 3 positions and giving each a weight of one-hal(. T he structure has been refined by linked a rom least square methods(LALS) against 16 observed and 21 unobserved reflections. and had a final R value of 0.20. Packing of the side chains is effected by staggering adjacent chains along the b axis by approximately c/2, so that the side chains are interleaved. The phenyl-COO and COO-phenyl torsion angles are -6.1 and 65.6, respectively, such that the main chain phenyls are mutually inclined at 59.5 (the ester groups are assumed to be planar). These torsion angles compare very well with those for the model compounds, notably phenylbenzoate, and can be used in future analyses of the structures of more complex random sequence copolyesters.

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An Empirical Study on Debt Financing of Family Firms : Focused on Packing Order Theory (가족기업의 부채조달에 관한 실증연구 : 자본조달순위이론을 중심으로)

  • Jung, Mingeu;Kim, Dongwook;Kim, Byounggon
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.3
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    • pp.337-345
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    • 2018
  • The purpose of this study is to analyze the relationship between the characteristics of Korean family firms and the impact of debt financing. The analysis period was 10 years from 2004 to 2013, and the sample consisted of 4,008 non-financial firms listed on the Korea Exchange. For the analysis, the unbalanced panel data with time - series, cross - section data were formed and analyzed using panel data regression analysis. The results are as follows. First, Korean family firms use relatively less debt than non - family firms. It can be understood that family firms in which the dominant family owns and dominates the corporation are less likely to increase their debt because the agent problem is alleviated and the need for the control effect of Jensen (1986) is lowered. Second, in the verification of the packing order theory using the model proposed by Shyam-Sunder and Myers (1999), family firms have higher compliance with the packing order theory than non-family firms do. When financing is needed, debt is preferred over equity issuance. However, for Korean family firms, 24.38% of the deficit funds are financed through the issuance of net debt, which is relatively low compared to the 75% shown in the analysis of Shyam-Sunder and Myers (1999). These results reveal the limit to the strong claim that the Korean family firms follow the packing order theory.