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Higher Fullerene C<sub>90</sub>의 기하학적 성질에 대한 이론적 연구
곽경도,하윤식,서무룡,Kwak, K.D.,Ha, Y.S.,Seo, M.R. 한국공업화학회 1999 공업화학 Vol.10 No.6
하이어 풀러렌의 구성요소인 나머지 단위에 대하여 연구하였다. 나머지 단위에 2개의 $C_1$이 존재할 때마다 $C_{90}$의 에너지는 약 11.0 kcal/mol 정도 증가하였으며 나머지 단위의 평면성이 $1.0{\beta}$만큼 증가할 때마다 5.6 kcal/mol 정도의 에너지가 증가하였다. 따라서 46개의 $C_{90}$ 이성질체 중에서 나머지 단위에 $C_1$도 존재하지 않고 나머지 단위의 평면성이 적은 것이 안정하다는 사실을 알 수 있었다. 제 존재가 확인되는 $C_{90}$이성질체들은 이러한 조건을 만족하고 있다. We have studied the other unit which is partial element in fullerene $C_{90}$. The energy of the higher fullerene increased by 5.6 kcal/mol for each $1.0{\beta}$ of planarity for the other units and increased by 11.0 kcal/mol for each $2C_1$ other unit at RHF/AM1 method. Therefore, we have known that the stable $C_{90}$ isomer do not have $C_1$ unit in other unit and have small planarity. The confirmable $C_{90}$ isomers by experiment satisfies these two conditions.
郭庚度,朴柄珏,金鎬順,徐萬哲,金鐘大 嶺南大學校附設 基礎科學硏究所 1988 基礎科學硏究 Vol.8 No.-
The electronic states of the antimicrobial phenzine and its derivatives were examined by Extended H?uckel Method. It was found that the sum of nucleophilic reactivity index for trans 1,2, and 4 positions, ?? in a molecule was found to be related antimicrobial activity. The index, ??, should be applied to biological activity as well as antimicrobial activity.
親電子性 芳香族 置換反應의 轉移狀態에 關한 理論的 硏究
朴柄珏,郭庚度,宋寧大 嶺南大學校 基礎科學硏究所 1991 基礎科學硏究 Vol.11 No.-
The transition state for electrophilic aromatic substitution was estimated by EHMO and CNDO/2 method. The transition state has been found to be δ-complex like model rather than π-complex like model for the substitution of a hydrogen in benzene with both proton and brominum ion. The electronic energies of δ-complex like models revealed the parallelism between the observed rate constant and the number of the substituted methyl groups in benzene. Consequetly, it can be generally thought that electrophilic aromatic substitution proceeds via δ-complex like model.
김임옥,곽경도,하윤식,권효식,서무룡,Kim, Im Ok,Kwak, Kyeong Do,Ha, Youn Shick,Kwon, Hyo Shik,Seo, Moo Lyong 대한화학회 1999 대한화학회지 Vol.43 No.3
Immobilon-AV 친화성 막에 glucose oxidase[EC1.1.3.4](725units/mL)를 고정하여 백금 전극에 부착시킨 전극을 사용하여 glucose를 전류법으로 정량하였다. 이때 glucose가 gluconic acid로 산화될 때 전류를 +0.8V vs. Ag/AgC1에서 측정하였다. 효소 고정화된 막을 부착시킨 전극의 감응 특성은 다음과 같다. 직선 감응범위는 0.2mM에서 20mM이었으며, 정량한계는 10-3 mM이었다. 또한 감응 시간은 12초, 효소 고정화된 막의 최적 pH(CH3COONa/CH3COOH)는 5.5, 그리고 수명은 27일 이였다. 그리고 다른 생리 활성물질의 방해는 없었다. 또한 고구마를 이용하여 AOAC 방법으로 정량한 glucose 측정값을 비교해 본 결과, 그 상대오차는 0.1%였다. Enzyme electrodes for amperometric measurement of glucose were prepared by immobilization of glucose oxidase on an Immobilon-AV Affinity membrane and attachement to a Pt electrodes. The electrochemical oxidation of Hz02 was monitored at +0.8V vs. Ag/AgCl. Response was linear from 0.2 mM to 20mM. The detection limit was 10m3 mM. Response time, the optimum pH and life time of enzyme immobilized membrane was 12 seconds, pH 5.5(CH3COONaJCH3COOH) and about 27 days, respectively. When the enzyme electrode was applied for the determinaion of glucose with amperometric method, other physiolosical materials have not interfered. Also, we compared the result with that from AOAC(Association of Offical Analytical Chemists) method, measuring the glucose in sweet potato. The relative error was 0.1%.