• Bulletin of the Korean Chemical Society
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• 제21권5호
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• pp.503-509
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• 2000

The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for $Rb^+$ to $K^+$ mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory(SPT). In comparing the relative free energies for interconversion of one ion pair, $Rb^+$ to $K^+$, in $H_2O$(TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study with the relative free energies of the computert simulations and the experimental, we found that the figure in this study is $-5.00\pm0.11$ kcal/mol and those of the computer simulations are $-5.40\pm1.9$, -5.5, and -5.4 kcal/mol. The experimental is -5.1 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the $Rb^+$ and $K^+$ ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients.

• 접착 및 계면
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• 제8권4호
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• pp.8-13
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• 2007

본 연구에서는 teramethylxylene diisocyanate (TMXDI)와 poly(tetramethylene glycol) (PTMG), polycarprolactone (PCL), dimrthylol proponic acid (DMPA)를 사용하여 무용제형 수분산 폴리우레탄을 합성하였으며, 음이온성기의 함량이 열적, 기계적 물성 및 접착력에 미치는 영향을 검토하였다. 합성된 무용제형 수분산 폴리우레탄의 Tg는 $-70{\sim}-50^{\circ}C$ 범위이고 PCL의 함량이 증가함에 따라 Tg는 상승하였다. 인장강도와 접착력, 열 안정성은 PCL과 음이온성기의 함량이 증가함에 따라 증가하였고 신율은 감소하였다.

• Bulletin of the Korean Chemical Society
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• 제5권4호
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• pp.162-167
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• 1984

Equilibrium and dynamical behaviors of an n-alkane poymer (decane) in solution have been investigated by a molecuar dynamics simulation method. The polymer is assumed to be a chain of elements $(CH_2)$ interconnected by bonds having a fixed bond length and bond angle, but esch bond of the polymer is allowed to execute hindered internal rotation. The calculation explicitly considers the molecular naturer of solvent by including the intermolecular interactions between slovent-solvent molecules and chain element-solvent molecule. We present the results of calculations on (1) equilibrium properties (the solvent molecule-chain element pair correlation function, chain element-chain element pair correlation function, the mean square end-to-end distance and the mean square radius of gyration of the polymer) and (2) dynamic properties (four different autocorrelation functions, namely, the autocorrelation functions for the end-to-end distance and the radius of gyration, and the velocity autocorrelation functions for the center of mass and the end point of the chain). We found that the physical properties of the polymer chain depends sensitively on temperature. Comparison of the present work with other authors' results is also presented.

• Applied Biological Chemistry
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• 제50권2호
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• pp.132-135
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• 2007

국내에서 새로 육성된 장미의 부가가치를 향상시키고 천연 식품소재로서 기능성을 탐색하는 기초연구의 일환으로 5개 장미 품종을 대상으로 유기용매 추출물을 제조하고 장미꽃 추출물이 CHO 세포의 생육에 미치는 영향을 MTT법으로 조사하였다. 장미 추출물들은 추출용매의 종류와 첨가농도에 따라 CHO 세포의 증식을 촉진하거나 생육을 억제하였으며 품종에 따른 차이는 없었다. Ether로 추출한 장미꽃 추출물을 5 ${\mu}$g/ml 농도로 첨가한 경우 대조군에 비하여 CHO 세포의 증식촉진효과가 가장 높았다. 이러한 결과는 장미꽃은 CHO 세포의 증식을 조절하는 생리활성을 나타내며, 신 기능성 식품소재로서 활용하는 가능성을 시사한다.

• 대한화학회지
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• 제14권1호
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• pp.51-59
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• 1970

Methyl에서 n-butyl까지의 n-alkylamine 염산염동족체($RNH_3Cl$)의 "겉보기몰랄부피"(apparent molal volume)${\phi}_v$를 30$^{\circ}C$에서 여러가지 조성의 methanol-물 혼합액을 써서 측정하였다. 아민염의 농도는 0.01M까지, 밀도는 부력법을 적용하여 소수점이하 5위까지 택하였다. 관측된 ${\phi}_v$값을 무한대의 농도 쪽으로 extapolation하여 "분몰랄부피"(partial molal volume)$\bar{V}^{\circ}$V를 구하였다. 실험결과는 용질입자의 크기, charge 및 hydrophobic effect등에 관하여 논의되었고 또한 동족체간에일정한 몰랄부피차(${\Delta}\bar{V}^{\circ}$)를 갖는다는 사실과 아울러 혼합용매의 구조에 대하여도 검토하였다. 메탄올-물 0.1몰분율(m.f.)에서는 물의 구조증대로 cation의 "분몰랄부피($\bar{V}^{\circ}_+$)가 최소이고, 한편 0.4m.f. 에서는 charge 효과에 의한 electrostriction effect의 최대화 free volume이 최소라는 사실들이 관찰되었다.

• Asian-Australasian Journal of Animal Sciences
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• 제13권6호
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• pp.785-790
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• 2000

The effect of formaldehyde treatment of solvent and mechanical extracted cottonseed meal on the performance, digestibility and nitrogen balance was assessed in lambs. Four total mixed rations viz., A, B, C and D containing 40% untreated and treated solvent and mechanical extracted meal were prepared. Sixteen male lambs with average BW of 20-22 kg were randomly allocated to experimental rations and were fed individually during ninety days growth trial. The treatment of solvent extracted cottonseed meal resulted in a linear decrease in ruminal protein degradation. Maximum decrease (64%) in protein degradation was observed at 4 h incubation time with 0.3% formaldehyde treatment. Highest daily BW gain was observed in lambs fed on rations Band D compared to lambs fed on rations A and C. Daily BW gain was higher on rations having 0.3% for fromaldehyde treated cottonseed meals. Higher DM digestibility was observed on ration D compared to other rations. Higher (p<0.05) CP and CF digestibility was observed on rations Band D compared to rations A and C. Nitrogen retention as % age of nitrogen intake was (p<0.05) higher for lambs fed rations B and D compared to rations A and C. Similar pattern was observed for nitrogen retention as percent of nitrogen absorbed. The present study suggested that oil extraction methods of cottonseed did not alter their meal utilization in lambs, however, formaldehyde (0.3%) treatment of meals enhanced its efficiency for growth, digestibility and nitrogen balance in lambs.

• Bulletin of the Korean Chemical Society
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• 제33권10호
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• pp.3293-3297
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• 2012

The solvolysis rate constants of 5-nitro-2-furoyl chloride (5-$NO_2(C_4H_2O)$-2-COCl, 1) in 27 different solvents are well correlated with the extended Grunwald-Winstein equation, using the $N_T$ solvent nucleophilicity scale and YCl solvent ionizing scale, with sensitivity values of $1.20{\pm}0.05$ and $0.37{\pm}0.02$ for l and m, respectively. The activation enthalpies (${\Delta}H^{\neq}$) were 5.63 to $13.0kcal{\cdot}mol^{-1}$ and the activation entropies (${\Delta}S^{\neq}$) were -25.9 to $-43.4cal{\cdot}mol^{-1}{\cdot}K^{-1}$, which is consistent with the proposed bimolecular reaction mechanism. The solvent kinetic isotope effect (SKIE, $k_{MeOH}/k_{MeOD}$) of 2.65 was also in accord with the $S_N2$ mechanism and was possibly assisted using a general-base catalysis. The product selectivity (S) for solvolysis of 1 in alcohol/water mixtures was 1.2 to 11, which is also consistent with the proposed bimolecular reaction mechanism.

• 대한화학회지
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• 제34권2호
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• pp.123-129
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• 1990

메탄올-, 에탄올-, 아세토니트릴-, 아세톤-물 등의 혼합용매에서 $trans-[Cr(en)_2Br_2]^+$착이온의 반응속도상수를 20, 25, 30 및 35$^{\circ}C$에서 분광광도법으로 구하였다. 반응속도상수는 온도가 증가함에 따라 증가하고 공용매의 조성이 증가함에 따라 감소하였다. 속도상수는 공용매의 유전상수의 역수값과 아무런 관계도 보이지 않았다. Grunwald-Winstein식의 m값은 메탄올-, 에탄올-, 아세토니트릴- 및 아세톤-물 혼합용매에서 각각 0.109, 0.103, 0.101 및 0.095이었다. 물과 공용매에서 착이온이 초기상태에서 전이상태로 진행되는 자유에너지사이클로부터 전이상태의 용매화가 속도에 지배적인 영향을 미친다는 것을 알 수 있었다. 위의 결과로부터 이 착이온의 수화반응메카니즘은 Id메카니즘으로 진행된다고 추정하였다.

• Korean Chemical Engineering Research
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• 제48권4호
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• pp.423-427
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• 2010

나노구조를 갖는 중공구형(CNS) 및 중공반구형(NBC) 다공성 탄소 담체에 각각 약 1.0 wt%의 구리를 담지시켜 두 종류의 촉매를 제조하였고 과산화수소수에 의한 페놀의 수산화 반응에서 촉매의 성능을 두 종류의 서로 다른 용매(물, 아세토니트릴)에 대하여 비교 분석하였다. 촉매에 담지된 구리의 양은 EDS 분석으로 확인하였고 비표면적, 기공 부피, 기공 분포도 등을 비교 분석하였다. 두 종류의 촉매에서 모두 아세토니트릴보다 물에서 더 높은 전환율과 과산화수소 유효도 및 카테콜과 하이드로퀴논의 생성율을 얻을 수 있었고, 물을 용매로 사용했을 때 1.0 Cu/CNS 촉매가 1.0 Cu/NBC 촉매보다 50% 이상의 전환율과 과산화수소 유효도를 보였다.

• 한국환경과학회지
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• 제23권1호
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• pp.89-96
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• 2014

Styela clava tunic is generated in large amounts as a waste from S. clava processing plants and causes environmental problem. Although biological activities of S. clava were reported by many investigators, study on S. clava tunic was little. In this study, therefore, tyrosinase inhibition and antioxidative activities of extracts from S. clava tunic using different solvent were investigated for recycling of the fishery waste. Among extraction methods tested, autoclaved extraction (25.7%) and hot water extraction (18.2%) appeared to be effective for extraction. The highest total phenolic content was 46.6 mg/g in autoclaved extract while the highest flavonoid content was 23.0 mg/g in chloroform extract. All extracts possessed tyrosinase inhibition activity and the inhibition activity was concentration-dependent. Inhibition concentration ($IC_{50}$) against tyrosinase activity was $0.36{\times}10^4$ mg/ml in ethanol extract, $0.11{\times}10^3$ mg/ml in acetone extract and 0.27 mg/ml in n-butanol extract. Among extracts tested, hot water and autoclaved extracts displayed higher antioxidative activity than organic solvent extracts. Therefore, our data suggest that extract from S. clava tunic may potential candidate for cosmetic product with whitening effect and medicine for diseases caused by various oxidative stresses.