• Title/Summary/Keyword: Molecular Spectroscopy

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Molecular orientational surface structures of polymers for liquid crystal alignment

  • Ohe, Masahito
    • 한국정보디스플레이학회:학술대회논문집
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    • 2006.08a
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    • pp.611-614
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    • 2006
  • Sum-frequency vibrational spectroscopy (SFVS) has been used to study the molecular orientations at the polymer surfaces for liquid crystal alignment. Various molecular orientations appear at the surface depending on various types of surface treatments and polymers.

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Evidences that β-Lactose Forms Hydrogen Bonds in DMSO

  • Ko, Hyun-Sook;Shim, Gyu-Chang;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.2001-2006
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    • 2005
  • Glycoproteins and glycolipids play key roles in intracellular reactions between cells and their environments at the membrane surface. For better understanding of the nature of these events, it is necessary to know threedimensional structures of those carbohydrates, involved in them. Since carbohydrates contain many hydroxyl groups which can serve both as hydrogen bond donors and acceptors, hydrogen bond is an important factor stabilizing the structure of carbohydrate. DMSO is an aprotic solvent frequently used for the study of carbohydrates because it gives detailed insight into the intramolecular hydrogen bond network. In this study, conformational properties and the hydrogen bonds in $\beta$-lactose in DMSO are investigated by NMR spectroscopy and molecular dynamics simulations. NOEs, temperature coefficients, deuterium isotope effect, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O3 and HO2' in $\beta$-lactose and also OH3 in $\beta$-lactose may form an intermolecular hydrogen bond with DMSO.

Structural Design and Characterization of a Channel-forming Peptide

  • Krittanai, Chartchai;Panyim, Sakol
    • BMB Reports
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    • v.37 no.4
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    • pp.460-465
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    • 2004
  • A 16-residue polypeptide model with the sequence acetyl-YALSLAATLLKEAASL-OH was derived by rational de novo peptide design. The designed sequence consists of amino acid residues with high propensity to adopt an alpha helical conformation, and sequential order was arranged to produce an amphipathic surface. The designed sequence was chemically synthesized using a solid-phase method and the polypeptide was purified by reverse-phase liquid chromatography. Molecular mass analysis by electro-spray ionization mass spectroscopy confirmed the correct designed sequence. Structural characterization by circular dichroism spectroscopy demonstrated that the peptide adopts the expected alpha helical conformation in 50% acetonitrile solution. Liposome binding assay using Small Unilamellar Vesicle (SUV) showed a marked release of entrapped glucose by interaction between the lipid membrane and the tested peptide. The channel-forming activity of the peptide was revealed by a planar lipid bilayer experiment. An analysis of the conducting current at various applied potentials suggested that the peptide forms a cationic ion channel with an intrinsic conductance of 188 pS. These results demonstrate that a simple rational de novo design can be successfully employed to create short peptides with desired structures and functions.

Backbone Resonance Assignment of a Proteolysis-Resistant Fragment in the Oxygen-Dependent Degradation Domain of the Hypoxia Inducible Factor 1α

  • Kim, Do-Hyoung;Lee, Si-Hyung;Chi, Seung-Wook;Nam, Ki Hoon;Han, Kyou-Hoon
    • Molecules and Cells
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    • v.27 no.4
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    • pp.493-496
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    • 2009
  • Hypoxia-inducible factor $1{\alpha}$ ($HIF1{\alpha}$) is a transcription factor that plays a key role in the adaptation of cells to low oxygen stress and oxygen homeostasis. The oxygen-dependent degradation (ODD) domain of $HIF1{\alpha}$ responsible for the negative regulation of $HIF1{\alpha}$ in normoxia is intrinsically unfolded. Here, we carried out the backbone $^1H$, $^{15}N$, and $^{13}C$ resonance assignment of a proteolysis-resistant fragment (residues 404-477) in the $HIF1{\alpha}$ ODD domain using NMR spectroscopy. About 98% (344/352) of all the $^1HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$, and $^{13}CO$ resonances were unambiguously assigned. The results will be useful for further investigation of the structural and dynamic states of the $HIF1{\alpha}$ ODD domain and its interaction with binding partners.

Chemical synthesis of processable conducting polyaniline derivative with free amine functional groups

  • Kar, Pradip
    • Advances in materials Research
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    • v.3 no.2
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    • pp.117-128
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    • 2014
  • Processable conducting polyaniline derivative with free amine functional groups was successfully synthesized from the monomer o-phenylenediamine in aqueous hydrochloric acid medium using ammonium persulfate as an oxidative initiator. The synthesized poly(o-phenylenediamine) (PoPD) in critical condition was found to be completely soluble in common organic solvents like dimethyl sulfoxide, N,N-dimethyl formamide etc. From the intrinsic viscosity measurement, the optimum condition for the polymerization was established. The polymer was characterized by ultraviolet visible spectroscopy, Fourier transform infrared spectroscopy, proton magnetic resonance spectroscopy ($^1HNMR$) and thermogravimetric (TGA) analyses. The weight average molecular weights of the synthesized polymers were determined by the dynamic light scattering (DLS) method. From the spectroscopic analysis the structure was found to resemble that of polyaniline derivative with free amine functional groups attached to ortho/meta position in the phenyl ring. However, very little ladder unit was also present with in the polymer chain. The moderate thermal stability of the synthesized polymer could be found from the TGA analysis. The average DC conductivity of $2.8{\times}10^{-4}S/cm$ was observed for the synthesized polymer pellet after doping with hydrochloric acid.

Time Resolved Infrared Spectroscopy of Electro-optic Switching of 5CB

  • Jang, Won-Gun
    • Journal of Information Display
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    • v.5 no.1
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    • pp.34-40
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    • 2004
  • Time resolved infrared IR absorption spectroscopy is carried out to investigate the dynamics of electric field induced reorientation of the biphenyl molecular core and alkyl tail sub-fragments of the nematic liquid crystal 5CB (4-pentyl-4-cyano-biphenyl). The planar to homeotropic transition for high pre-tilt planar aligned cells, is studied for switching times ranging from 200 ${\mu}sec$ down to 80 ${\mu}sec$, the latter a factor of 1000 times faster than any previous nematic IR study. The reorientation rates of the core and tail are found to be the same to within experimental error and scale inversely with applied field squared, as expected for the balance of field and viscous torques. Thus any molecular conformation change during switching must relax on a shorter time scale. A simple model shows that no substantial differences exist between the reorientational dynamics of the tails and cores on the time scales longer than on the order of 10 ${\mu}s$.

2D Correlation Analysis of Spin-Coated Films of Biodegradable P(HB-co-HHx)/PEG Blends

  • Kim, Min-Kyung;Ryu, Soo-Ryeon;Noda, Isao;Jung, Young-Mee
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.4005-4010
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    • 2011
  • We investigated thermal behavior of spin-coated films of P(HB-co-HHx)/PEG blends by using infraredreflection absorption (IRRAS) spectroscopy and 2D correlation spectroscopy. Based on 2D IRRAS correlation spectra, we could determine the sequence of spectral intensity changes with increasing temperature that PEG band changes first and then a band for crystalline component of P(HB-co-HHx) changes before a band for amorphous component. The intensities of bands for PEG and amorphous P(HB-co-HHx) were changed greatly as PEG weigh % of P(HB-co-HHx)/PEG blends increased. Transition temperatures of P(HB-co-HHx)/PEG blends were successfully determined by 2D gradient mapping method. The transition temperature of spincoated films of 98/2 and 90/10 P(HB-co-HHx)/PEG blends and 80/20 P(HB-co-HHx)/PEG blend determined by 2D gradient map are, respectively, about 137.5 and $132.5^{\circ}C$. Furthermore, P(HB-co-HHx)/PEG blends show an additional transition temperature that have been interpreted in terms of different lamellar thicknesses in spin coated films.