• Applied Chemistry for Engineering
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• v.8 no.5
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• pp.796-803
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• 1997

The PVT and $^2H$-NMR characteristic of main-chain dimer liquid crystals having structures such as ${\alpha}$, ${\omega}$-bis[4,4'-cyanobiphenyl) oxy] alkane(CBA-10) were studied. In this work, V-T curves obtained from isobaris measurements on various pressures, volume changes were observed at the nematic-isotropic and nematic-crystal phase transition. The volume changes at the transition exhibit slight odd-even effect with respect to the number of methylene unit n. The values of the$({\Delta}S_{tr})_V$ obtained at the NI transition for CBA-10 was $12.6J/mol{\cdot}K$. The values of $({\Delta}S_{CN})_V$ for the CN transition was estimated on the basis of DSC data : $65.3J/mol{\cdot}K$. For both transition, it was found that the correction about the volume change is significant, ranging from 40 to 60% of the total transition entropy observed under constant pressure. The RIS analysis of the spectra was performed so as to elucidate the conformational characteristics of the spacer in the nematic phase. The conformational entropy changes at both CN and NI interphases were estimated on the basis of the nematic conformations taken from the conformation map as well as those derived from the simulation. The estimated conformational entropy change values were then compared with the corresponding constant-volume entropies obtained from PVT measurements. The correspondence between both entropy values was found to be quite good in consideration of the uncertainties involved in both experiment and calculations.

• Journal of the Korean Graphic Arts Communication Society
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• v.14 no.1
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• pp.47-54
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• 1996

Deuterium NMR studies have been carried out for two kinds of main- chain dimer liquid crystals $\alpha$.$\omega$-bis[(4,4`-cyanobipheny0oxy] alkane (CBA-n, n=9,100.The H-NMR spectra were recorded on a JEOP JNM-GSX-500 spectrometer by using deuterium labelled CBA-n at various temperatures. The RIS analysis of the NMR spectra was performed so as to elucidate the conformational characteristics of the spacer in the nematic phase. Following the previous treatment, the single-ordering-matrix model was adopted, in which the molecular axis was defined parallel to the line connecting the centers of the terminal mesogenic cores. Conformer fractions of the spacer were estimated by simulation so as to reproduce the observed NMR profile. The conformational entropy changes at both CN and NI interphases were estimated on the basis of the nematic conformations taken from the conformation map as well as those derived from the simulation. In these calculations the spacer was assumed th by in the all-trans conformation and in the random coil stats in the crystal and isotropic phases respectively. The esimated conformational entropy change values were then compared with the corresponding constant-volume entropies obtained from PVT measurements. The correspondence between both entropy values was found to be quite good in consideration of the uncertainties involved in both experiment and calculations.

• Journal of Information Processing Systems
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• v.16 no.2
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• pp.508-521
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• 2020

We compared a novel encoding Lempel-Ziv complexity (ELZC) with three common complexity algorithms i.e., approximate entropy (ApEn), sample entropy (SampEn), and classic Lempel-Ziv complexity (CLZC) so as to determine a satisfied complexity and its corresponding quality indices for assessing quality of multi-lead electrocardiogram (ECG). First, we calculated the aforementioned algorithms on six artificial time series in order to compare their performance in terms of discerning randomness and the inherent irregularity within time series. Then, for analyzing sensitivity of the algorithms to content level of different noises within the ECG, we investigated their change trend in five artificial synthetic noisy ECGs containing different noises at several signal noise ratios. Finally, three quality indices based on the ELZC of the multi-lead ECG were proposed to assess the quality of 862 real 12-lead ECGs from the MIT databases. The results showed the ELZC could discern randomness and the inherent irregularity within six artificial time series, and also reflect content level of different noises within five artificial synthetic ECGs. The results indicated the AUCs of three quality indices of the ELZC had statistical significance (>0.500). The ELZC and its corresponding three indices were more suitable for multi-lead ECG quality assessment than the other three algorithms.

• Metals and materials international
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• v.24 no.6
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• pp.1285-1292
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• 2018

Microstructural properties of as-grown and annealed CoCrFeMnNi high entropy alloy (HEA) oxynitride thin films were investigated. The CoCrFeMnNi HEA oxynitride thin film was grown by magnetron sputtering method using an air gas, and annealed under the argon plus air flow for 5 h at $800^{\circ}C$. The as-grown film was homogeneous and uniform composed of nanometer-sized crystalline regions mixed with amorphous-like phase. The crystalline phase in the as-grown film was face centered cubic structure with the lattice constant of 0.4242 nm. Significant microstructural changes were observed after the annealing process. First, it was fully recrystallized and grain growth happened. Second, Ni-rich region was observed in nanometer-scale range. Third, phase change happened and it was determined to be $Fe_3O_4$ spinel structure with the lattice constant of 0.8326 nm. Hardness and Young's modulus of the as-grown film were 4.1 and 150.5 GPa, while those were 9.4 and 156.4 GPa for the annealed film, respectively.

• YAKHAK HOEJI
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• v.36 no.6
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• pp.518-528
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• 1992

To determine the optimal conformation of sulfonylureas, the correlation between conformation and hypoglycemic activity of the two sulfonylureas of tolbutamide and chlorpropamide as hypoglycemic agent was studied using an empirical potential function (ECEPP/2) and the hydration shell model in the unhydrated and hydrated states. The conformational energy was minimized from several starting conformations with possible torsion angles in each molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecules in aqueous solution, the contribution of water-accessible volume of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of two sulfonylureas, it could be suggested that the hydration of sulfonylurea moiety is related to increase the hypoglycemic activity. From the calculation results, it was known that the conformational entropy is the major contribution to stabilize the low-free-energy conformations of two sulfonylureas in unhydrated state. Whereas, in hydrated state, the hydration free energy largely contributes to the total free energies of low-free-energy conformations of tolbutamide and conformational entropy contributes to stabilize the low-free-energy conformations of chlorpropamide. The torsion angles from phenyl ring to urea moiety of the low-free-energy conformations of the two sulfonylureas were shown the nearly regular trend. On the basis of these results, the conformation exhibiting the optimal hypoglycemic activity of sulfonylureas and the binding direction to pancreatic receptor site A could be predicted. Also, according to the side chain lengthening of urea moiety, tolbutamide showed various conformational change. Therefore, steric effect may be important factor in the interaction between sulfonylureas and the putative pancreatic receptor.

• Proceedings of the Korean Magnestics Society Conference
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• 2008.12a
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• pp.162.1-162.1
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• 2008

• Journal of the Korean Chemical Society
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• v.52 no.2
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• pp.186-196
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• 2008

purpose of this study was to investigate college students' understanding of the thermodynamic aspects of the dissolution of solids and gases. The subjects were 34 juniors from the Seoul area who answered questionnaires composed of six items which asked the directions and reasons for the changes in enthalpy, entropy, and the solubility by temperature for the dissolution of solid sodium chloride and gaseous carbon dioxide into water. The results showed that the students understanding of the enthalpy change of dissolution was poor: many students answered that the dissolution of solids is an exothermic process because the dissolution occurs when the solute-solvent interaction is greater than the solute-solute interaction; the students also thought that the enthalpy should be reduced for spontaneous dissolution because the spontaneity depends on the enthalpy change only. For the entropy change, the students understanding was better and they explained it according to the meaning of disorder. For the temperature dependence of solubility, most students answered correctly regarding the direction, but only 25% of them explained the reason accounting for the enthalpy change. Many students who answered incorrectly on the enthalpy change could not explain the reason why.

• Bulletin of the Korean Chemical Society
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• v.8 no.1
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• pp.31-39
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• 1987

By using a complete rate constant($k_e$) which treats a solvent (water) as a reactant, and a conventional rate constant($k_c$), which ignores the solvent in describing the rate, the parameters ${\Delta}V^{\neq}_s,\;{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ were introduced. These quantities represent the volume change, the enthalpy change, and the entropy change accompanying the electrostriction which occurs when solvent molecules condense on the activated complex. The authors measured the rates of the solvolysis of benzoyl chloride in water-acetone mixtures at $15^{\circ}$ to $30^{\circ}C$ and 1 bar to 2500 bars. Applying the authors' theory to the experimental results, the parameters, ${\Delta}V^{\neq}_s,\;{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ were evaluated, and it was found that they are all negative, indicating that water dipoles condense on the activated complex. They also proposed the following equations: ${\Delta}H^{\neq}_c\;=\;{\Delta}H^{\neq}_e\;+\;{\Delta}H^{\neq}_s\;and\; {\Delta}S^{\neq}_c\;=\;{\Delta}S^{\neq}_e\;+{\Delta}S^{\neq}_s\;,\;where\;{\Delta}H^{\neq}_c\;and\;{\Delta}H^{\neq}_c\;and\;{\Delta}S^{\neq}_s $are the activation enthalpy change and the activation entropy change for the conventional reaction rate, respectively, and ${\Delta}H^{\neq}_e$ and ${\Delta}S^{\neq}_e$ are the corresponding quantities for the complete reaction rate. The authors proposed that for the $SN_1$ type, all the quantities, ${\Delta}V^{\neq}_s,\;{\Delta}S^{\neq}_s\;,{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ are comparatively large, and for the $SN_2$ type, these quantities are smaller than for the $SN_1$ type, and occasionally the case ${\Delta}S^{\neq}_e$ < 0 occurs. Using these criteria, the authors concluded that at high temperature, high pressure and for a high water content solvent, the SN_1$ type mechanism predominates whereas in the reversed case the $SN_2$M type predominates.

• Journal of the Korean Applied Science and Technology
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• v.36 no.2
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• pp.407-416
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• 2019

The criticical micelle concentration (CMC) was measured by using the UV-Vis method for the micellization of the ammonium type cationic surfactants (DTAB, TTAB, and CTAB) in the aqueous aniline solution. The enthalpy change (${\Delta}H^0$) and entropy change (${\Delta}S^0$) were calculated from the dependence of Gibbs free energy change (${\Delta}G^0$) on the temperature for micellization of the cationic surfactants between 290K and 314K. The effects of n-butanol and sodium chloride on the micellization of cationic surfactants were measured and compared with the other thermodynamic functions. All the free energy changes (${\Delta}G^0$) of the micellization were negative, all the enthalpy change (${\Delta}H^0$) were negative, and all the entropy change (${\Delta}S^0$) were positive values, respectively. The micelle formation of cationic surfactant in aniline solution is a spontaneous exothermic reaction, and the iso-structural temperature calculated from the thermodynamic values show that enthalpy and entropy contribution to the micellization are almost the same for the micellization of cationic surfactants

• Journal of Information Processing Systems
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• v.9 no.2
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• pp.271-286
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• 2013

Recently, a pixel-chaotic-shuffling (PCS) method has been proposed by Huang et al. for encrypting color images using multiple chaotic systems like the Henon, the Lorenz, the Chua, and the Rossler systems. All of which have great encryption performance. The authors claimed that their pixel-chaotic-shuffle (PCS) encryption method has high confidential security. However, the security analysis of the PCS method against the chosen-plaintext attack (CPA) and known-plaintext attack (KPA) performed by Solak et al. successfully breaks the PCS encryption scheme without knowing the secret key. In this paper we present an improved shuffling pattern for the plaintext image bits to make the cryptosystem proposed by Huang et al. resistant to chosen-plaintext attack and known-plaintext attack. The modifications in the existing PCS encryption method are proposed to improve its security performance against the potential attacks described above. The Number of Pixel Change Rate (NPCR), Unified Average Changed Intensity (UACI), information entropy, and correlation coefficient analysis are performed to evaluate the statistical performance of the modified PCS method. The simulation analysis reveals that the modified PCS method has better statistical features and is more resistant to attacks than Huang et al.'s PCS method.