• 한국산학기술학회:학술대회논문집
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• 한국산학기술학회 2003년도 춘계학술발표논문집
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• pp.328-330
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• 2003

A surface equation of state for globular proteins at air-water interface accounting for the molecular structure, segment-segment, segment-solvent, and electrostatic interactions was proposed and compared to C-14 isotope experiments. This lattice model comprised a simplifying assumption that all adsorbed segments are in the form of trains. The number of segment adsorbed per molecule in case of bovine serum albumin linearly depended on the surface concentration whereas the lysozyme segments adsorbed at the interface were independent of surface concentration. The segment-solvent(water) interaction for both of proteins were found to be unfavorable owing to the proteins unfolding. From comparison of model computation and experimental data, BSA unfolded more than lysozyne because of the larger surface area of contact.

• Bulletin of the Korean Chemical Society
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• 제8권1호
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• pp.19-26
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• 1987

A statistical thermodynamical treatment for polymer adsorption from solution is presented. The canonical partition function for the polymer solution in the presence of a surface or an impermeable interface is formulated on the basis of usual quasi-crystalline lattice model, Bragg-Williams approximation of random mixing, and Pak's simple treatment of liquid. The present theory gives the surface excess ${\Gamma}_{exc}$ and the surface coverage ${\phi}^s_2$ of the polymer as a function of the chain length x, the Flory-Huggins parameter x, the adsorption energy parameter $x_s$, and polymer concentration $v_2$. Present theory is also applicable to the calculation of interfacial tension of polymer solution against water. For the idealized flexible polymer, interfacial tensions according to our theory fit good to the experimental data to the agreeable degrees.

• 대한원격탐사학회지
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• 제23권5호
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• pp.455-464
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• 2007

Lee(2007) suggested the Point-Jacobian iteration MAP estimation(PJIMAP) for noise removal of the images that are corrupted by multiplicative speckle noise. It is to find a MAP estimation of noisy-free imagery based on a Bayesian model using the lognormal distribution for image intensity and an MRF for image texture. When the image intensity is logarithmically transformed, the speckle noise is approximately Gaussian additive noise, and it tends to a normal probability much faster than the intensity distribution. The MRF is incorporated into digital image analysis by viewing pixel types as states of molecules in a lattice-like physical system. In this study, the MAP estimation is computed by the Point-Jacobian iteration using adaptive parameters. At each iteration, the parameters related to the Bayesian model are adaptively estimated using the updated information. The results of the proposed scheme were compared to them of PJIMAP with SAR simulation data generated by the Monte Carlo method. The experiments demonstrated an improvement in relaxing speckle noise and estimating noise-free intensity by using the adaptive parameters for the Ponit-Jacobian iteration.

• Bulletin of the Korean Chemical Society
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• 제18권9호
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• pp.976-981
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• 1997

The magnetic susceptibilities of molybdenum ions with 4d1 electronic configuration in the octahedral crystal field were calculated on the basis of ligand field theory. The experimental magnetic susceptibilities for molybdenum ions, which are stabilized at the octahedral site in the perovskite lattice of Ba2ScMoⅤO6 and Sr2YMoⅤO6, were compared with the theoretical ones. We have tried to fit their temperature dependence of magnetic susceptibility with ligand field parameters, spin-orbit coupling constant ζSO, and orbital reduction parameter κ according to intermediate field coupling and strong field theory. Strong field coupling theory could not explain experimental curves without unrealistically large axial ligand field, since it ignores the mixing up between different state via spin-orbit interaction and ligand field. On the other hand, the intermediate field coupling theory could successfully reproduce experimental data in octahedral and trigonal ligand field. The fitting result demonstrates not only the fact that spin-orbit interaction is primarily responsible for the variation of magnetic behavior but also the fact that effective orbital overlap, enhanced by cubic crystal structure, reduces significantly orbital angular momentum as indicated by κ parameter.

• Bulletin of the Korean Chemical Society
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• 제6권6호
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• pp.337-343
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• 1985

A statistical mechanical approach to elucidate the solvent effects on the high polymer solutions has been carried out on the basis of the simple model of liquids improved by Pak. In our works, the partition function of the polymer solutions is formulated by the lattice model and our simple treatment of liquid structures. For the ideal polymer solutions proposed by Flory, thermodynamic functions of the polymer solutions are obtained and equations of mixing properties and partial molar quantities are derived from the presented partition function of the polymer solutions. Partial molar quantities are calculated for the rubber solutions in carbon disulfide, benzene and carbon tetrachloride. Comparisons have been made between our equations and those of Flory's original paper for partial molar properties of the rubber-benzene system. Comparing the experimental data of the osmotic pressure of polystyrene-cyclohexane system with our calculated values and those of Flory's, our values fit to the agreeable degrees better than those of Flory's.

• Bulletin of the Korean Chemical Society
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• 제6권6호
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• pp.354-358
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• 1985

Carbon-13 nuclear spin-lattice relaxation times have been measured over the range of temperature from 213K to 353K for carbons in n-heptane in neat liquid. The experimental data have been analyzed to obtain informations of segmental motions in the chain polymers by employing a model which describes jumps between several discrete states with different lifetimes. The overall reorientation of the molecule is assumed to be isotropic rotational diffusion. From the above analysis the activation energies of each C-C bond reorientation as well as the overall reorientation have been obtained through the Arrhenius-type temperature dependence.

• Bulletin of the Korean Chemical Society
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• 제17권2호
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• pp.168-172
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• 1996

The variations of the structural detail of layered perovskite-type oxides, Na2Ln2Ti3O10 (Ln=La, Nd, Sm, Gd), have been refined by Rietveld analyses of their powder X-ray diffraction data. Although the c-axis strongly decreases from Ln=La to Nd, Sm, or Gd, the length of Na-O bond along the c-axis that is regarded as the sodium layer spacing is not dependent on the unit cell parameter. Such a behavior is explained by the fact that Na-O bond is in competition with Ti-O one of the perovskite slab. Increased covalency of this Ti-O bond by the lattice contraction leads to weakening of the attaching strength of Na ion. This picture is consistent with the experimental observation that Na ion conductivity of Na2Ln2Ti3O10 increases from Ln=La to Nd, Sm, or Gd despite strong contraction of the unit cell volume.

• Bulletin of the Korean Chemical Society
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• 제5권4호
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• pp.158-162
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• 1984

The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

• Current Applied Physics
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• 제18권11호
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• pp.1230-1234
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• 2018

We report a new method of measuring the non-radiative recombination rate in bulk Silicon. Synchrotron timeresolved x-ray scattering (TRXS) combines femtometer spatial sensitivity with nanosecond time resolution to record the temporal evolution of a crystal lattice following intense ultrafast laser excitation. Modeling this data requires an Auger recombination time that is considerably slower than previous measurements, which were made at lower laser intensities while probing only a relatively shallow surface depth. We attribute this difference to an enhanced Coulomb interaction that has been predicted to occur in bulk materials with high densities of photoexcited charge carriers.

• 대한화학회지
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• 제68권2호
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• pp.74-81
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• 2024

A sulfonic acid-water-silanol system in SO₃H-functionalized MCM-41 was investigated using solid-state nuclear magnetic resonance techniques. The proton exchange rate between a water molecule and a silanol group in the S-PE-MCM-41 was determined by analyzing the 1D proton spectra, the proton EXSY spectrum, and ²H spin-lattice relaxation data under various hydration levels. Two kinds of water-bounding sites were found in the S-PE-MCM-41: weakly and strongly bound sites. Over several hours, water molecules bound to the weakly bound sites at the low hydration level migrated to the strongly bound sites. At high temperature, the S-PE-MCM-41 easily lost water molecules weakly bound to the silanol, while the strongly bound water molecules survived. Water molecules that participated in the hydration of the phenethyl sulfonate were involved in the hydrogenbonded silanol mechanism of proton conductivity. This phenomenon contributes higher proton conductivity to the S-PE-MCM-41 by the cooperation of sulfonyl and silanol groups in the proton transfer process, even at higher temperature.