• Title/Summary/Keyword: Absolute configuration

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Platinum(Ⅱ) Complexes of 6,6$^\prime$-Dimethyl-2,2$^\prime$-diaminobiphenyl

  • Jun Moo-Jin
    • Bulletin of the Korean Chemical Society
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    • v.6 no.4
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    • pp.238-240
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    • 1985
  • Carbonato and diammine platinum(Ⅱ) complexes of resolved 6,6'-dimehtyl-2,2'-diaminobiphenyl have been prepared. The absolute configuration of the square planar platinum(Ⅱ) complexes is determined on the basis of stereospecificity of the 6,6'-dimethyl-2,2'-diaminobiphenyl ligand, circular dichroism spectra of the complexes, and nonempirical circular dichroism method.

Crystal Structure of Byakangelicin ($C_{17}H_{18}O_{7}$)

  • Kim, Yang-Bae;Oh, Yong-Ho;Park, Il-Yeung;Shin, Kuk-Hyun
    • Archives of Pharmacal Research
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    • v.25 no.3
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    • pp.275-279
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    • 2002
  • The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.

A Tip for Crystallographic Unit Cell Transformation Verified by a Chiral Compound $[C_{24}H_{22}N_4O_4S]_2HCl$ (Chiral Compound $[C_{24}H_{22}N_4O_4S]_2HCl$로 확인한 결정학적 단위포 변환시의 한 조언)

  • Suh, Il-Hwan;Kim, Jin-Gyu;Park, Ji-Cheol;Park, Young-Soo;Park, Kyung-Lae
    • Korean Journal of Crystallography
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    • v.11 no.2
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    • pp.89-94
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    • 2000
  • A crystallographic unit cell can be transformed into another one by a 3×3 transformantion matrix. If the determinant of the transformation matrix has a negative value, the newly transformed unit cell becomes a left-handed cell. The best way of transforming the left-handed cell to the right-handed one is to multiply each element of the transformation matrix by-1, and its corresponding transformation matrix must be applied tot he atomic coordinates of a noncentrosymmetric crystal so as to maintain the absolute configuration unchanged. The behaviour of absolute configuration caused by transforming the crystallographic unit cell was examined theoretically and experimentally on the compound (S)-(+)-4-phenyl-1-[4-aminobenzoyl) indoline-5-sulfonyl]-4,5-dihydro-2-imidazolone hydrochloride.

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Lipase-catalyzed Remote Kinetic Resolution of Quaternary Carbon-containing Alcohols and Determination of Their Absolute Configuration

  • Im, Dai-Sig;Cheong, Chan-Seong;Lee, So-Ha
    • Bulletin of the Korean Chemical Society
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    • v.24 no.9
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    • pp.1269-1275
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    • 2003
  • The quaternary carbon-containing alcohols (1-6) were resolved enantioselectively by various lipases such as PFL (Pseudomonas fluorescens lipase), LAK (Pseudomonas fluorescens lipase), CRL (Candida rugosa lipase) and PCL (Pseudomonas cepacia lipase). The enzymatic resolution of racemic alcohol $({\pm})-2$ gave the excellent enantioselectivity in favor of (S)-2d in 99% ee, while those of the racemic alcohols (1, 3, 4, 5 and 6) gave the resolved alcohols with moderate to good enantioselectivity. Also, their absolute configurations were determined by chemical transformation to the known compounds.

Earthquake behavior of stiffened RC frame structures with/without subsoil

  • Ozdemir, Y.I.;Ayvaz, Y.
    • Structural Engineering and Mechanics
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    • v.28 no.5
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    • pp.571-585
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    • 2008
  • The purpose of this study is to investigate the linear earthquake behavior of the frame structures including subsoil with different stiffening members and to compare the results of each frame considered. These comparisons are made separately for displacement, bending moments and axial forces for frames with different storey and bay numbers for the time history and the modal analyses. The results of both methods are also compared. The results of the frames with subsoil are also compared with the results of the frames without subsoil. It is concluded that all stiffening members considered in this study decrease the lateral displacement of the frame and the bending moment of the columns and increase the axial force in the columns and that configuration of the bracing members come out to be an important parameter in braced frames since the frames with the same type of bracing give different results depending on configuration. It is also concluded that, in general, the absolute maximum displacements of the frames modeled with subsoil are larger than those of the frames modeled without subsoil.

Stratified steam explosion energetics

  • Jo, HangJin;Wang, Jun;Corradini, Michael
    • Nuclear Engineering and Technology
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    • v.51 no.1
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    • pp.95-103
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    • 2019
  • Vapor explosions can be classified in terms of modes of contact between the hot molten fuel and the coolant, since different contact modes may affect fuel-coolant mixing and subsequent vapor explosion energetics. It is generally accepted that most vapor explosion phenomena fall into three different modes of contact; fuel pouring into coolant, coolant injection into fuel and stratified fuel-coolant layers. In this study, we review previous stratified steam explosion experiments as well as recent experiments performed at the KTH in Sweden. While experiments with prototypic reactor materials are minimal, we do note that generally the energetics is limited for the stratified mode of contact. When the fuel mass involved in a steam explosion in a stratified geometry is compared to a pool geometry based on geometrical aspects, one can conclude that there is a very limited set of conditions (when melt jet diameter is small) under which a steam explosion is more energetic in a stratified geometry. However, under these limited conditions the absolute energetic explosion output would still be small because the total fuel mass involved would be limited.

Chiral Separation of Aromatic Acids by Capillary Electrophoresis Using HP $\beta$-Cyclodextrin as the Chiral Selector

  • La, Soo-Kie;Kim, Ji-Young;Kim, Jung-Han;Kim, Kyoung-Rae
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.399.2-399.2
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    • 2002
  • Capillary electrophoretic direct chiral separation method is described for the determination of the absolute configuration of chiral aromatic acids, The enantiomeric separation was achieved by capillary electrophoresis using HP $\beta$-cyclodextrin (CD) as the chiral selector. The effect of CD concentration was investigated to optimize the chiral separation and resolution. When applied to microbial culture fluid. the present method allowed positive identification of chiral aromatic acids and their chirality as well.

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Chiral Separation of Lactic Acid in Culture Media and Cells of Lactobacillus delbrueckii subsp. lactis as O-Pentafluoropropionylated (S)-(+)-3-Methyl-2-Butyl Ester by Achiral Gas Chromatography-Mass Spectrometry

  • Paik, Man-Jeong;Nguyen, Duc-Toan;Yoon, Jae-Hwan;Chae, Han-Seung;Kim, Kyoung-Rae;Lee, Gwang;Lee, Pyung-Cheon
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2418-2422
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    • 2011
  • The enantiomeric separation of lactic acid for its absolute configuration has become important task for understanding its biological origin and metabolic process involved in the formation of lactic acid. It involves the conversion of enantiomers as diastereomeric O-pentafluoropropionylated (S)-(+)-3-methyl-2-butyl ester and the direct separation by gas chromatography-mass spectrometry on a achiral capillary column. The (R)- and (S)-lactic acids were completely separated with a high resolution of 1.9. The newly developed method showed good linearity (r ${\geq}$ 0.999), precision (% relative standard deviation = 3.4-6.2), and accuracy (% relative error = -7.7-1.4) with the detection limit of 0.011 ${\mu}g/mL$. When the method was applied to determine the absolute configuration of lactic acid in Lactobacillus delbrueckii subsp. lactis 304 (LAB 304), the composition (%) of (R)-lactic acid in the cell pellet and in the culture medium were $89.0{\pm}0.1$ and $78.2{\pm}0.4$, respectively. Thus, it was verified that the present method is useful for the identification and composition test of lactic enantiomers in microorganisms.

Determination of Enantiopurity of Chiral Epoxides by Vibrational Circular Dichroism Spectroscopy (진동 원편광 이색성 분광기를 사용한 키랄 에폭사이드의 광학순도 분석)

  • Lee, Joo-Hyun;Lee, Choong-Young;Kim, Geon-Joong
    • Applied Chemistry for Engineering
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    • v.23 no.6
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    • pp.577-582
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    • 2012
  • In this work, vibrational circular dichroism (VCD) technique was applied for the determination of %EE of chiral compounds. It may provide an easy way to determine the %EE with a proper accuracy within 2% error ranges as well as the absolute configuration of enantiomers. We demonstrated herein a flow cell VCD (FT-VCD) technique for time-dependent %EE measurements. The simultaneous monitoring of the mole fraction and %EE for two chiral species (epichlorohydrin and glycidol mixture) in the mixture was shown to be successful without any further separation steps. Thus, we demonstrate that FT-VCD is an appropriate analytical tool to monitor the kinetics of reactions involving chiral molecules. FT-VCD also provides a convenient nondestructive approach for the time dependent determination of the optical purity of individual components in a reaction mixture containing chiral molecules.