• Korean Journal of Food Science and Technology
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• v.45 no.4
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• pp.451-459
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• 2013

Korean black raspberry fruits (bokbunja) were collected from 11 different producing regions, and commercial black raspberry wines were obtained from 24 manufacturers. Samples were analyzed for soluble solids, titratable acidity, pH, reducing sugar content, hunter color values, intensity, hue, total phenolic content, and organic acids. The fruit samples showed similar pH levels (3.43-3.52), but significantly differed in total acidity levels (9.98-16.2 g/L). The predominant organic acids in the fruit samples were citric acids (1.39-5.63 mg/mL) and succinic acids (0.25-6.53 mg/mL). Among the samples, black raspberry fruits from Goksung and Nonsan showed the lowest levels of total phenolic content, and the lowest values in intensity. The fruits from Jeongeup and Sunchang showed higher levels of phenolic content, soluble solids, and intensity. Some wine samples, including BH, KO, SR, and SE, showed overall high levels of phenolic content, organic acids like citric and succinic acid, and color values such as $a^*$, $b^*$, and intensity. Other wine samples, including DW, SC, GJ, and NB, were high in acetic acid, color values like $L^*$, and hue.

• Korean Chemical Engineering Research
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• v.49 no.3
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• pp.361-366
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• 2011

By using Monte Carlo simulation method we developed a new molecular simulation software which can be used to predict the thermodynamic properties of organic compounds. Starting from molecular structure and intermolecular potential function, rigorous statistical mechanical principles give a probability distribution for the behavior of a system containing many molecules, which enables us to calculate macroscopic thermodynamic properties of the system. The software developed in this work, cheMC, is based on Windows platform providing with easy access. One can efficiently administrate simulations by using an intuitive interface equipped with visualization tool and chart generation. It is expected that molecular simulations supplement the equation of state approach and will play a more important role in the study of thermodynamic properties.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.63-68
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• 1995

The crystal structure of fenothiocarb(S-4-phenoxybutyl dimethylthiocarbamate), C13H19NO2S is monoclinic, space group P21/c, a=9.045(1)Å, b=14.577(2)Å, c=10.727(2)Å, β=103.56(1)°, Z=4, V=1375.20(6)Å3, Dc=1.23g/cm3, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=544, temperature : 293±3K, R=0.049 for 1543 unique observed reflections. The structure was determined by direct method and refined by full-matrix least squares method. The molecules are contacted to the c axis with two fold screw and van der Waales force.

• Journal of the Korean Chemical Society
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• v.32 no.2
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• pp.135-143
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• 1988

The correlations between chromatographic parameters of monosubstituted benzenes and several physical parameters in reversed phase liquid chromatography were studied. The relationships between retention data and polarity index were investigated by plotting $log(log k'_S/k'_B)$ vs. $P'_S/P'_B$ which were relative retention and relative polarity index of monosubstituted benzenes with respect to benzene, respectively. The linear relationship between relative retention and polarity index was observed for the monosubstituted benzenes having polar group, while in case of those having nonpolar group, the good linearity was observed by combination with relative molecular weight i.e. $(P'_S/P'_B)/(MW_S/MW_B)$. Multivariant regression analysis, $a(P'_S/P'_B)+b(MW_S/MW_B)$+c did not give significantly better correlations compared to single variant analysis, $a[(P'_S/P'_B)/(MW_S/MW_B)]$+c, but multiple stepwise regression analysis was recommended when several physical parameters simultaneously were chosen. The best correlation between retention data for monosubstituted benzenes taken from the literature and substituent constant(${\pi}$), derived from hydrophobic parameter and the first order molecular connectivity index$(^1{\chi}^{\nu})$, was established for methanol/water mobile phase system. The larger the surface coverage of the stationary phase, the higher was the correlation coefficient between these two parameters and retention data.

• Journal of the Korean Society of Food Science and Nutrition
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• v.36 no.9
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• pp.1193-1197
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• 2007

The purpose of this study was to find the optimal mixing condition of Rubus coreanus extracts, Rubus coreanus powder, and Rubus coreanus flavor for preparation of the Bokbunja chocolate. The physico-chemical characteristics of the Bokbunja chocolate were analyzed and evaluated. The sugar concentration of the Bokbunja chocolate had a tendency to increase as the addition of Rubus coreanus extracts decreased, but there was no significant differences. The hardness was increased with the decreasing Rubus coreanus extracts and increasing Rubus coreanus powder. The L (lightness) value increased with increasing Rubus coreanus extracts and decreasing Rubus coreanus powder, whereas a (redness) and b (yellowness) values increased by Rubus coreanus powder addition. The optimum mixing condition for the Bokbunja chocolate was decided by sensory evaluation. According to the results of sensory flavor, color, sweetness, texture and overall acceptability, the Bokbunja chocolate which was added Rubus coreanus extracts 30 g, Rubus coreanus powder 5 g, Rubus coreanus flavor 0.3 g obtained the best score overall.

• Journal of The Korean Association For Science Education
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• v.22 no.1
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• pp.93-101
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• 2002

This study investigated the effect of small group discussion for science concept learning in cooperative learning environments that encourage verbal interaction with peers upon students' understanding of the concepts at the particulate level, application abilities, perceptions of students' negotiation, and communication apprehension. Two classes of 7th grade at a coed middle school were assigned to the control and the treatment groups. They were taught about change of states and motion of molecules for 7 class periods. Two-way ANCOVA results revealed that the scores of a conceptions test for the treatment group were significantly higher than those for the control group, and that the low-achievers in the treatment group performed better than those in the control group. However, the scores of two groups did not differ significantly in an application test. The perceptions of students' negotiation for the treatment group were more positive, but the scores of the communication apprehension for two groups were not significantly different.

• Korean Journal of Crystallography
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• v.8 no.1
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• pp.1-5
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• 1997

The crystal structure of the title compound consists of discrete 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium, $C_{16}H_{19}N_2$, and tosylate, $C_7H_7SO_3$, dimer. The 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium molecule has a trans conformation at the central C=C double bond: the dihedral angle between the phenyl and the pyridyl rings is $5.7(2)^{\circ}$ and the whole molecule is planar within $0.138(8){\AA}$. Tosylate molecules display hydrogen-bonded dimers with the O-H...O distances of 2.855(9) and $2.899(8){\AA}$, respectively. The shortest intermolecular contact is the distance $3.10(1){\AA}$ between O(3) and C(16).

• Journal of the Korea Academia-Industrial cooperation Society
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• v.11 no.5
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• pp.1768-1772
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• 2010

Intra-molecular association is an important contribution to the overall hydrogen bonding in surfactant systems, especially in systems of colloidal and biological interest. Amphiphile systems, especially micelle and microemulsion systems, showed highly non-ideal behavior due to the intermolecular association and intra-molecular association. The objective of this research is to present a lattice fluid equation of state that combines the quasi-chemical nonrandom lattice fluid model with modified Veytsman statistics for intra + inter molecular association to calculate phase behavior for mixture containing surfactant systems. The lattice model could describe the literature data well for alkane and surfactant systems.

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.110-117
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• 2017

Multiscale Simulation은 sub-nano scale의 전자 구조에서부터 macro scale의 multibody system에 이르기까지 다양한 시간/공간 스케일을 관통하는 시뮬레이션 기법이다. 즉, 전자수준에서의 변화로 인한 분자 전체의 구조 변화와 그에 따른 기능의 변화를 알 수 있는 simulation 방법으로 다양한 스케일에서 분자의 정보를 얻을 수 있다는 점에서 최근 중요하게 여겨지는 시뮬레이션 방법 중 하나이다. 따라서 본 연구에서는 몇 가지의 EDISON_CHEM 솔버들을 조합하여 Multiscale Simulation의 가능성을 제시하고자 한다. 또한, 세부적으로 양자계산 시에 어떤 이론을 선택하여 계산하면 더 정확한지, basis set 선택 시 발생하는 basis set superposition error(BSSE)로 인한 분자 수준의 물성의 오차는 어느정도 인지 알아보고자 했다. 본 연구에서는 비교적 간단하지만 온실 가스이자 에너지원으로 각광받고 있는 메탄을 대상으로 하였다. 다양한 시공간 스케일을 다루는 에디슨 솔버들 중에 양자 수준의 계산을 할 수 있는 솔버로는 "GAMESS"를 이용했고, 이 결과를 통해 분자 수준의 물성을 알아보기 위한 솔버로는 "사용자 지정 역장을 사용한 일반 분자동력학(general_MD)"과 "두가지 서로 다른 종류의 LJ입자에 대한 분자동력 시뮬레이션 프로그램(sejong_lj))"을 이용했다. 메탄의 상 전이 과정에 대한 연구 결과 Hartree fock (HF) self-consistent theory를 통해 얻은 force field 보다는 Second-order Møller-Plesset (MP2) perturbation theory로 얻은 force field가 더 정확한 상 전이 온도를 예측한다는 것을 메탄의 coarse-grained simulation을 통해 알 수 있었다. 또한, MP2 이론으로 구한 force field에서 BSSE를 보정해주면 실험적으로 구한 메탄의 상 전이 온도와 더 근사한 값의 시뮬레이션 결과를 얻을 수 있었다. 이를 통해 전자 간의 상호작용을 더 정교하게 계산하는 MP2 이론으로 force field를 구해서 BSSE를 보정해주면 계산의 결과가 정확해진다는 것을 알 수 있었으며 이것이 EDISON_CHEM의 솔버들로 가능하다는 것을 제시하였다.

• Proceedings of the Plant Resources Society of Korea Conference
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• 2023.04a
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• pp.68-68
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• 2023

베리류 과수 가운데 블루베리, 아로니아, 복분자, 오디, 산딸기, 라즈베리 등 6종의 에탄올 추출물을 이용하여 총 폴리페놀 함량을 측정하고, DPPH법을 이용하여 항산화 활성을 측정하여 상호간 상관 관계를 분석하였다. 총 폴리페놀 함량은 아로니아> 복분자> 오디> 블루베리> 라즈베리> 산딸기 순으로 나타났으며, 항산화 활성은 아로니아> 라즈베리 >복분자> 블루베리> 오디> 산딸기 순으로 나타났다. 이러한 결과로 총폴리페놀 함량과 항산화 활성과의 상관관계가 있다는 것을 확인하였으며, 그 중에서도 아로니아와 복분자가 강력한 항산화 활성이 있는 것으로 나타났다. 그러나 라즈베리의 경우는 총폴리페놀 함량이 낮은데도 불구하고 항산화 활성이 높았다. 따라서 앞으로 라즈베리에 대한 선행연구가 필요하리라 생각된다. 이와 같은 결과들로 미루어 볼 때, 6종 베리류(블루베리, 아로니아, 복분자, 오디, 산딸기, 라즈베리) 에탄올 추출물은 농도 의존적으로 항산화 활성에 대한 효과가 양호하였으며, 이러한 연구결과들을 활용하여 트러블, 염증 억제제 및 항균활성으로 기능성 화장품의 신소재 개발이 가능하다고 판단된다.