• Journal of the Korean Chemical Society
• /
• v.50 no.4
• /
• pp.281-290
• /
• 2006

The electronic structure and properties of the 1H-indene and mono-sila-1H-indene series have been investigated using basis set of 6-31G(d, p) and hybrid density functional theory. Basic measures of aromatic character derived from structure, molecular orbitals, a variety of magnetic criteria (magnetic isotropic and anisotropic susceptibilities) are considered. Energetic criteria suggest that In(Si7) enjoy conspicuous stabilization. However, by magnetic susceptibility isotropic this system are among the least aromatic of the family: Within their isomer series, In(Si4) is the most aromatic using this criteria. Natural bond orbital (NBO) analysis method was performed for the investigation of the relative stability and the nature of the 8-9 bonds in 1H-indene and mono-sila-1H-indene compounds. The results explained that how the p character of natural atomic hybrid orbital on X8 and X9 (central bond) is increased by the substitution of the C8 and C9 by Si. Actually, the results suggested that in these compounds, the X8-X9 bond lengths are closely controlled by the p character of these hybrid orbitals and also by the nature of C-Si bonds. The magnitude of the molecular stabilization energy associated to delocalization from X8-X9 and to * X8-X9 bond orbital were also quantitatively determined. Molecular orbital (MO) analysis further reveal that all structure has three delocalized MOs and two delocalized MOs and therefore exhibit the aromaticity.

• Food Science and Preservation
• /
• v.20 no.3
• /
• pp.317-322
• /
• 2013

This study was conducted to investigate the effects of pretreatment and different packaging methods on the physicochemical properties of cold vacuum-dried peaches. All the dried peach samples were stored such as $N_2$ gas substitution, vacuum and passive packaged with polyethylene (PE) film and oriented polypropylene (OPP)/aluminum (Al)/PE film at $40^{\circ}C$ for 50 days. The weight change, pH, soluble solids content, titratable acidity, soluble solid-acid ratio (SS/TA), delta E, browning degree and phenolic compounds were analyzed. The weight change and pH were lower in the 0.1% vitamin C-treated group and were significantly lowest in the vacuum-treated OPP/AL/PE. The soluble solids content and the SS/TA were higher in the non-treated groups than in the vitamin C-treated groups. According to the packaging methods, the $L^*$ values were higher in the vacuum, $N_2$ gas and passive package, in that order. In addition, the browning degree and the delta E value were lower in the pretreated groups and significantly lowest in the vacuum-treated OPP/AL/PE with 0.1% vitamin C group. The phenolic compounds were high for the pretreated groups, according to the packaging methods (vacuum > $N_2$ gas> passive), and the OPP/AL/PE was significantly higher than the PE. These results suggest that different packaging materials and pretreatment methods affected the quality of the dried peaches, and the vacuum-OPP/AL/PE film packaging group showed a high quality.

• Solar Energy
• /
• v.13 no.1
• /
• pp.49-58
• /
• 1993

[ $CdS_{0.46}Se_{0.54}$ ] single crystal was grown by a sublimation method. The crystal structure and the temperature dependence of carrier density and mobility of $CdS_{0.46}Se_{0.54}$ single crystal were studied. Heterojunction solar cells of $n-CdS_{0.46}Se_{0.54}/p-Cu_{2-X}S_{0.46}Se_{0.54}$ were fabricated by the substitution reaction. The spectral response, the J-V characteristics and the conversion efficiency of the $n-CdS_{0.46}Se_{0.54}/p-Cu_{2-X}S_{0.46}Se_{0.54}$ heterojunction solar cells were studied. The open-circuit voltage, short-circuit density, fill factor and conversion efficiency of $n-CdS_{0.46}Se_{0.54}/p-Cu_{2-X}S_{0.46}Se_{0.54}$ heterojunction solar cells under $80mW/cm^2$ illumination were found to be 0.48V, $21mA/cm^2$, 0.75 and 9.5%, respectively.

• Journal of the Korean Magnetics Society
• /
• v.16 no.1
• /
• pp.34-39
• /
• 2006

Pure and Fe-doped CuO thin-film and powder samples were prepared using a sol-gel method. Undoped CuO films exhibited monoclinic structure and p-type electrical conductivity $(\~10^{-2}\;{\Omega^{-1}\;cm^{-1}$ due to copper deficiency. On the other hand, CuO: Fe films were found to be insulating and Li doping on the films led to a restoration of p-type conductivity and a ferromagnetic hysteresis behaviour at room temperature. The observed properties far the CuO : Fe, Li films can be explained in terms of hole creation by substitution of $Li^+$ for $Cu^{2+}$ sites and mediation of long-range interactions between $Fe^{3+}$ ions by the $Li^+$-induced defect states. CuO: Fe powders exhibited a ferromagnetism at room temperature with its strength being dependent on post-annealing temperature. Mossbauer measurements on the CuO: Fe films and powders revealed that the octahedral $Cu^{2+}$ sites are mostly substituted by $Fe^{3+}$ ions.

• Journal of the Korean Magnetics Society
• /
• v.10 no.5
• /
• pp.220-224
• /
• 2000

Ultra-fine $Co_{1+x}$F $e_{2-}$2x/ $Ti_{x}$ $O_4$ferrite powders have been prepared by the sol-gel method. The crystallographic and magnetic properties of the sample have been investigated by means of x-ray diffraction, Mossbauer spetroscopy and vibrating sample magnetometry. The formation of nano crystallized particles is confirmed. The x-ray diffractions of all samples with various compositions clearly indicate the presence of spinel structure. The Mossbauer spectra could be fitted as the superposition of two sextets due to F $e^{3+}$ A-site and B-site. The IS and QS values nearly constant with substituted Co-Ti contents, whereas $H_{hf}$ of B-site decreases with increasing Co-Ti substitution in $Co_{1+x}$F $e_{2-}$2x/ $Ti_{x}$ $O_4$. The magnetic behaviour of powders shows that the saturation magnetization and the coercivity decrease with increasing x in $Co_{1+x}$F $e_{2-}$2x/ $Ti_{x}$ $O_4$.$.X>.

• Journal of Korean Society of Forest Science
• /
• v.88 no.1
• /
• pp.117-123
• /
• 1999

Consumer surplus is to be a value concerning a time horizon. Especially it is very important how long time horizon would be chosen in contingent market. This study aimed to provide causes of difference recreation benefits through discount rate in many aspects. The data were collected by personal interviews with visitors in Songnisan National Park. The respondents answered yes or no, dichotomous choice, on recreation benefits according to a chosen time horizon, one year or five years. The probit model was used in the analysis. In order to avoid the truncation bias of upper bound, the median was chosen as the recreation benefits of visitor. As the result, the value was evaluated to be 16,569 Won for one year and 27,111 Won for five years. The discount rate is estimated 153% annually to coincide different recreation benefits. The reasons of the high discount rate were to be interpreted as following five types : (1)uncertainty of future consumption (2)increasing of probability of the substitution owing to increasing of time horizon (3)recognization of different time horizons (4) effect by the price ratio of goods and utility function (5) overestimation of the recreation benefits owing to a basic premium of payment vehicle.

• Journal of the Korean Magnetics Society
• /
• v.5 no.4
• /
• pp.281-286
• /
• 1995

In order to study the effect of additives $SiO_{2}$ on the magnetic properties of hexaferrite sheet magnet, we used X-ray diffractometer, Mossbauer spectrometer, and VSM magnetometer. We have prepared $Ba_{0.25}Sr_{0.75}Fe_{12}O_{19}$ green sheets by the Dr. Blade method. Most of samples have a magnetoplurnbite crystal structure of typical M-type hexaferrite. The lattice parameters are found not to be affected by the addition of $SiO_{2}$. ${\alpha}-Fe_{2}O_{3}$ phase develops above $SiO_{2}$ 2.0 wt.%. Isomer shifts indicate that the valence of Fe ions is trivalent. Curie temperatures decrease slightly with increasing $SiO_{2}$ concentrations. It means that the $Si^{4+}$ subsitution for 12k-site $Fe^{3+}$ has an effect on the superexchange interactions Fe-O-Fe, which change the distance and the angle between cations and anions. It was suggested that ${\alpha}-Fe_{2}O_{3}$ phase results from the excessive Fe produced by subsituting $Si^{4+}$ for $Fe^{3+}$. Based upon the results of $Ba_{0.25}Sr_{0.75}Fe_{12}O_{19}$ added with $SiO_{2}$, we concluded that $H_{c}$, $M_{s}$ and $M_{r}$ depend more strongly on the microstructure chracteristics than on the cation substitution.

• Journal of the Korean Magnetics Society
• /
• v.21 no.4
• /
• pp.127-131
• /
• 2011

In this paper, we study the electronic and magnetic properties of Cr substituted SiTe in the rock-salt structure compound using the full potential linearized augmented plane wave method within the generalized gradient approximation to the exchange correlation potential. Two stoichiometries are studied: $CrSi_3Te_4$ with 25 %, and $CrSiTe_2$ with 50 % Cr substitution. We found, from the total energy calculations, that the equilibrium lattice constant for cubic $CrSi_3Te_4$ is 11.64 a.u. and a = 7.89 a.u. and c = 11.13 a.u. for tetragonal $CrSiTe_2$. The integer value of the calculated magnetic moment per unit cell, $4{\mu}_B$ for $CrSiTe_2$ suggests that this compound is halfmetallic. The magnetic moment per unit cell for $CrSi_3Te_4$ is slightly larger than $4{\mu}_B$. The magnetic moment on Cr atoms are 3.61 and $3.62{\mu}_B$ in the $CrSi_3Te_4$ and $CrSiTe_2$, respectively. The presence of Cr atoms causes that the other atoms become slightly magnetized in both compounds. The electronic properties and the magnetism are discussed with the calculated spin-polarized density of states.

• Polymer(Korea)
• /
• v.33 no.4
• /
• pp.389-395
• /
• 2009

To develop the carrier of hydrophobic antifungal agents based on low molecular weight water-soluble chitosan (LMWSC), LMWSC was chemically modified with deoxycholic acid (DA) which is one of the bile acid as a hydrophobic group. The nanoparticles (WSCDA) using DA conjugated LMWSC were characterized using dynamic light scattering (DLS) and transmittance electron microscope (TEM). The particle size of WSCDA ranged from 250 to 350 nm and increased with the number of DA substitution. The loaded itraconazole as an antifungal agent WSCDA nanoparticles (WSCDA-ITCN) were prepared by solvent evaporation method. The drug content and the loading efficiency were investigated approximately $9{\sim}10%$ and $61{\sim}68%$ by UV spectrophotometer, respectively. The release of drug from nanoparticles was slow and showed sustained release characteristics. Based on the results of release study that the higher DA contents in WSCDA, the slower the releasing rate, the WSCDA-ITCN could be used as an excellent antifungal agent.

• Polymer(Korea)
• /
• v.32 no.3
• /
• pp.263-269
• /
• 2008

To develop carriers of hydrophobic anticancer agents based on chitosan, chitosan oligosaccharide lactate (COS) was chemically modified with lithocholic acid (LA) which is one of the bile acids as a hydrophobic group. The physicochemical properties of the lithocholic acid conjugated chitosan nanoparticles (COS-LA) were investigated using $^1H$-NMR spectroscopy, dynamic light scattering (DLS) and spectrofluorophotometer. COS-LA-paclitaxel (CLs-Tx) nanoparticles loading paclitaxel as an anticancer agent were prepared by a dialysis method and its loading efficiency was measured through HPLC. On the basis of DLS results, the estimated particle sizes of CLs-Tx were around 300 nm. Also, the critical micelle concentration (CMC) was proven to be dependent on the degree of substitution of lithocholic acid. It showed that the CLs-Tx has the superior potential for the application as a paclitaxel carrier.