• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.418-418
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• 2012

We fabricated a new type of hybrid film using molecular layer deposition (MLD). The MLD is a gas phase process analogous to atomic layer deposition (ALD) and also relies on a saturated surface reaction sequentially which results in the formation of a monolayer in each sequence. In the MLD process, polydiacetylene (PDA) layers were grown by repeated sequential surface reactions of titanium tetrachloride and 2,4-hexadiyne-1,6-diol with ultraviolet (UV) polymerization under a substrate temperature of $100^{\circ}C$. Ellipsometry analysis showed a self-limiting surface reaction process and linear growth of the hybrid films. Polymerization of the hybrid films was confirmed by infrared (IR) spectroscopy and UV-Vis spectroscopy. Composition of the films was confirmed by IR spectroscopy and X-ray photoelectron (XP) spectroscopy. The titanium oxide cross-linked polydiacetylene (TiOPDA) hybrid films exhibited good thermal and mechanical stabilities.

• Journal of Magnetics
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• v.8 no.4
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• pp.149-152
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• 2003

The electronic structure of Mn12-Ac molecular magnet has been investigated using synchrotron radiation. The valence-band photoemission spectroscopy (PES) measurement reveals that Mn 3d states are located near the top of the valence band. The trend in the measured valence-band PES spectra is found to be consistent with that in the calculated local density of states. The Mn 2p x-ray absorption spectroscopy (XAS) measurement provides evidence for the Mn$^{3+}$-Mn$^{4+}$ mixed-valent states.

• Journal of Industrial and Engineering Chemistry
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• v.68
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• pp.109-116
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• 2018

$Eu_2(SO_4)_3$ was synthesized by chemical precipitation method and the crystal structure was determined by Rietveld analysis. The compound crystallizes in monoclinic space group C2/c. In the air environment, $Eu_2(SO_4)_3$ is stable up to $670^{\circ}C$. The sample of $Eu_2(SO_4)_3$ was examined by Raman, Fourier-transform infrared absorption and luminescence spectroscopy methods. The low site symmetry of $SO_4$ tetrahedra results in the appearance of the IR inactive ${\nu}_1$ mode around $1000cm^{-1}$ and ${\nu}_2$ modes below $500cm^{-1}$. The band intensities redistribution in the luminescent spectra of $Eu^{3+}$ ions is analyzed in terms of the peculiarities of its local environment.

• Fibers and Polymers
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• v.6 no.3
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• pp.186-199
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• 2005

A selection of commercially available poly(ethy1ene terephtha1ate) fibers with different degrees of molecular alignment and crystallinity have been investigated utilizing a wide range of techniques including optical microscopy, infrared spectroscopy together with thermal and wide-angle X-ray diffraction techniques. Annealing experiments showed increased molecular alignment and crystallinity as shown by the increased values of birefringence and melting enthalpies. Crystallinity values determined from thermal analysis, density, unpolarized infrared spectroscopy and X-ray diffraction are compared and discussed in terms of the inherent capabilities and limitations of each measurement technique. The birefringence and refractive index values obtained from optical microscopy are found to decrease with increasing wavelength of light used in the experiments. The wide-angle X-ray diffraction analysis shows that the samples with relatively low orientation possess oriented non-crystalline array of chains whereas those with high molecular orientation possess well defined and oriented crystalline array of chains along the fiber axis direction. X-ray analysis showed increasing crystallite size trend with increasing molecular orientation. SEM images showed micro-cracks on low oriented fiber surfaces becoming smooth on highly oriented fiber surfaces. Excellent bending characteristics were observed with knotted fibers implying relatively easy fabric formation.

• Bulletin of the Korean Chemical Society
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• v.13 no.2
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• pp.140-145
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• 1992

The excited state intramolecular proton transfer and physical properties of 7-hydroxyquinoline are studied in various solutions and heterogeneous systems by measuring steady state and time-resolved fluorescence, reflection and NMR spectra. Proton transfer is observed only in protic solvents owing to its requirement of hydrogen-bonded solvent bridge for proton relay transfer. The activation energies of the proton transfer are 2.3 and 5.4 kJ/mol in $CH_3OH$ and in $CH_3OD$, respectively. Dimers of normal molecules are stable in microcrystalline powder form and undergo an extremely fast concerted double proton transfer upon absorption of a photon, consequently forming dimers of tautomer molecules. In the supercage of zeolite NaY, its tautomeric form is stable in the ground state and does not show any proton transfer.

• Animal Bioscience
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• v.36 no.2
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• pp.256-263
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• 2023

Objective: Feed molecular structures can affect its availability to gastrointestinal enzymes which impact its digestibility and absorption. The molecular spectroscopy-attenuated total reflectance Fourier transform infrared vibrational spectroscopy (ATR-FTIR) is an advanced technique that measures the absorbance of chemical functional groups on the infrared region so that we can identify and quantify molecules and functional groups in a feed. The program aimed to reveal the association of intrinsic molecular structure with nutrient supply to animals from canola feedstocks and co-products from bio-oil processing. The objective of this study was to characterize special intrinsic carbohydrate and protein-related molecular structure spectral profiles of feedstock and co-products (meal and pellets) from bio-oil processing from two source origins: Canada (CA) and China (CH). Methods: The samples of feedstock and co-products were obtained from five different companies in each country arranged by the Canola Council of Canada (CCC). The molecular structure spectral features were analyzed using advanced vibrational molecular spectroscopy-ATR-FTIR. The spectral features that accessed included: i) protein-related spectral features (Amide I, Amide II, α-helix, β-sheet, and their spectral intensity ratios), ii) carbohydrate-related spectral features (TC1, TC2, TC3, TC4, CEC, STC1, STC2, STC3, STC4, TC, and their spectral intensity ratios). Results: The results showed that significant differences were observed on all vibrationally spectral features related to total carbohydrates, structural carbohydrates, and cellulosic compounds (p<0.05), except spectral features of TC2 and STC1 (p>0.05) of co-products, where CH meals presented higher peaks of these structures than CA. Similarly, it was for the carbohydrate-related molecular structure of canola seeds where the difference between CA and CH occurred except for STC3 height, CEC and STC areas (p>0.05). The protein-related molecular structures were similar for the canola seeds from both countries. However, CH meals presented higher peaks of amide I, α-helix, and β-sheet heights, α-helix:β-sheet ratio, total amide and amide I areas (p<0.05). Conclusion: The principal component analysis was able to explain over 90% of the variabilities in the carbohydrate and protein structures although it was not able to separate the samples from the two countries, indicating feedstock and coproducts interrelationship between CH and CA.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.115.1-115.1
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• 2014

Atom-thick 2-dimensional materials such as graphene, h-BN and MoS2 hold substantial potential for applications in future molecular-scale integrated electronics, transparent conducting membranes, nanocomposites, etc. From a fundamental point of view, 2-dim crystal-solid substrates can also serve as a unique system to study various physicochemical phenomena occurring at low dimensions or interfaces. In this talk, I will present our recent Raman spectroscopy studies on the surface science problems of graphene: interfacial charge transfer, molecular diffusion in confined space and structural deformation.

• Bulletin of the Korean Chemical Society
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• v.24 no.3
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• pp.339-344
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• 2003

The conformation of synthetic oligosaccharide can be elucidated by employing molecular modeling and highfield proton NMR (nuclear magnetic resonance) spectroscopy. Information with respect to the composition and configuration of saccharide residues and the sequence and linkage positions of the oligosaccharide can be obtained by employing a variety of one- and two-dimensional NMR techniques and molecular modeling. These techniques are also useful in establishing the solution conformation of the oligosaccharide moiety. This study is focused on the elucidation of linkage positions of synthetic trisaccharides, Gal(β1-4)Glc(β1-3)Glc, Gal(β1-4)Glc(β1-4)Glc and Gal(β1-4)Glc(β1-6)Glc.

• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.415-424
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• 1997

Conformational flexibilities of the GlcNAc(β1,3)Gal(β)OMe are investigated through NMR spectroscopy and molecular modeling. Adiabatic energy map generated with a dielectric constant of 50 contains three local minima. All of the molecular dynamics simulations on three local minimum energy structures show fluctuations between two low energy structures, N2 at φ=80° and ψ=60° and N3 at φ=60° and ψ=-40°. We have presented adequate evidences to state that GlcNAc(β1,3)Gal(β)OMe exists in two conformationally discrete forms. Two state model of N2 and N3 conformers with a population ratio of 40:60 is used to calculate the effective cross relaxation rate and reproduces the experimental NOEs very well. Molecular dynamics simulation in conjunction with two state model proves successfully the dynamic equilibrium existed in GlcNAc(β1,3)Gal(β)OMe and can be considered as a powerful method to analyze the motional properties in the structure of carbohydrate. This observation also cautions against the indiscriminate use of a rigid model to analyze NMR data.

• Journal of the Korean Applied Science and Technology
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• v.28 no.3
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• pp.284-289
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• 2011

All spectroscopic methods used in this work indicate the instability of tungstophosphates in aqueous solutions and considerable dependence on pH with regard to the dominant species present in the solution. UV spectroscopy indicates that some changes occur in the system but they cannot be specified. IR spectroscopy gives more information on the identification of the dominant species as a function the pH of the solution. NMR spectroscopy provides unique data, which can be used for more accurate interpretation of changes in the solution of various pH values. In the case of aqueous solutions of tungstophosphates, the parent anion was present only in a very acidic solution of ca. pH 1. Some differences in interpretation of the molecular species present under various experimental conditions can be ascribed to some extent to the diversity of chemical shifts of NMR. Under physiological conditions attained with the addition of NaOH, tungstophosphates was dominantly present in the form of the lacunary monovacant anion.