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      • 2-머캅토싸이아졸 및 2-하이드록시싸이아졸류의 토오머화와 분해 가능성 : degradation ability

        홍석 경남대학교 환경문제연구소 2003 환경연구 Vol.26 No.-

        Stability of tautomers of 2-mercaptothiazole and 2-hydroxythiazole was investigated with reaction energies calculated by density functional theory in other to predict degradation of a kind of benzothiazoles such as 2-mercaptobenzothiazole and 2-hydroxybenzothiazole. Single point geometric structures have been established for the starting material structure, homodimer (or heterodimer) and products as tautomers. The result was that thiazoline-2-thione, a tautomer, was energetically more stable than the corresponding thiol as known generally. It was expected that their high stabilities were not always in agreement with their poor degradation because of the catalytic factors such as naturally occurring acid, base, metallic ions and so on.

      • 벤질 하이드라존 유도체의 생성과 광분해반응에 대한 반경험적 에너지 계산에 의한 해석

        홍석 慶南大學校 附設 基礎科學硏究所 1998 硏究論文集 Vol.12 No.-

        Theoretical calculations were performed for the parameters on the formation of benzil hydrazone derivatives, their predicted intermediate structures, isomers, photorearrangement and cycloaddition by the semiempirical method such as PM3, ZINDO/S. Differences in their total energies before and after forming benzil hydrazone derivatives were exothermically negative. In the case of isomerization of benzil hydrazones to their enolic azo or ketyl azo compounds, ketyl azotization is more preferable. Intramolecular cyclization of each benzil hydrazone at the ortho-phenyl position with internal NH nitrogen and with ortho-position carbon of the other phenyl group would be possible at the level of overlapping on the specific place of its frontier orbital(HOMO) in the first excited state except for benzil 2,4-dinitrophenylhydrazone.

      • 3-알릴리덴-2-온의 전자고리에 대한 반경험적 연구

        홍석 慶南大學校 附設 基礎科學硏究所 2002 硏究論文集 Vol.16 No.-

        3-알릴리덴인돌린-2-온 유도체로부터 전자고리화 반응이 일어나 피라노[2, 3, b]인돌 생성물로 진행되는 데 대해 반경험적(AM1) 및 분자 역학적 방법으로 그 가능성을 다루었다. 설정된 분자구조들 즉, 3-(3-메틸)알릴리덴-2-온(4Me), 3-알릴리덴-2-온(4H), 3-(3-페닐)알릴리덴-2-온(4Ph)을 최소의 에너지 구조로 최적화한 뒤의 생성열 값들은 구조가 1→2→3→4→5로 진행될 때 양의 값으로 증가하는 경향을 보였으며, 구조 4의 C(28)과 O(23)이 서로 결합하기 위해 두 원자간의 거리에 따른 입체 에너지를 계산했을 때, 거리가 가까워질수록 급격히 증가했으며, 구조 5의 경우는 거리가 멀어질수록 보다 완만하게 증가했다. 구조1에서 4로, 구조 2에서 3으로 C(18)-C(19)-C(25)-C(28)의 이면 각 변화에 따른 구조의 단일 점 생성열은 구조 3과 4에서 매우 증가한 값이 얻어졌으나 최적화된 구조에서 출발 구조와 적은 차이를 보였다. 경계 궤도함수의 로오브 크기와 부호에서 열이나 빛 에너지에 의해 동일방향 흑은 반대방향 회전으로 고리화 가능성이 있었다. 정전기적 포텐셜에 의한 특정원자의 하전에서 특히 치환기가 메틸인 경우 반대 하전을 보였다. 결론적으로 구조 4에서 전자고리화 반응이 일어날 것으로 기대되었다. 3-Allylideneindoline-2-one derivatives have been designed for the electrocyclization structures of pyrano[2, 3, b]indoles with a semi-empirical (AM1) and a molecular mechanical method. Configurational isomer structures such as starting and final compouds were optimized to the minimized energies. Their calculated heats of formation increased in order of 3-(3-methyl)allylidene-2-one(4Me), 3-allylidene-2-one(4H) and 3-(3-phenyl)allyidene-2-one(4Ph) through over all the reaction process 1→2→3→4→5. Dependence of steric energy on a distance, with and without bond, between atom C(28) and O(23) has been investigated in order to know how easy they were of access for electrocyclization. The shorter the distance between these two atoms each other, the higher energy values were obtained, and also values of variation of single point energy with C(18)-C(19)-C(25)-C(28) dihedral angle followed to the similar trend, while values of heats of formation for the optimized structures(4H, 4Me, and 4Ph) were of small difference in them. Pi orbitals on the specific atoms toward bonding in their frontier molecular orbitals(HO and LU) were observed on overlapping forward sigma bond by either conrotatory or disrotatory under thermal or photochemical condition although their sterochemistry was not treated. Possiblity of their interaction, especially in case of 4Me, was shown from the electrostatic potential charge on the bond-occurring atoms of 4. It came to the conclusion that electocyclization of 4s would take place from these results.

      • KCI등재

        목향조기산(木香調氣散)이 혈압(血壓)에 미치는 영향(影響)

        홍석,강성용,Hong, Seog,Kang, Sung-Yong 대한한방내과학회 1996 大韓韓方內科學會誌 Vol.17 No.1

        The purpose of this research was to investigate the effects of water extract of Mockhyangjokisan on the blood pressure in rabbits The following results have been obtained : 1. The drug significantly increased arteral blood pressure in rabbits. 2. The drug did'nt effect the increase of arteral blood pressure by pretreated atropine and propranolol in rabbits. 3. The drug inhibited the increase of arteral blood pressure by pretreated regitine in rabbits.

      • KCI등재

        백질려가 백서(白鼠)의 혈압(血壓)에 미치는 영향(影響)

        홍석,Seog, Hong 대한한방내과학회 1997 大韓韓方內科學會誌 Vol.18 No.2

        Fructus Tribuli has been used in Korea for many centuries as a therapeutic agent for headache and dizziness due to hyperactivity of the liver-yang. The effect of Fructus Tribuli on the blood pressure is not known. The purpose of this study was to determine the effect of Fructus Tribuli on blood pressure and artery rats and rabbits. 1. Fructus Tribuli exerted a dose-dependent relaxation of isolated rabbit common carotid artery. 2. Blood pressure was significantly decreased by Fructus Tribuli (10.0mg/kg) in rats.

      • KCI등재

        中氣의 病因病機 및 治療에 관한 文獻考察

        홍석,이동원,전홍열 대한한방신경정신과학회 2000 동의신경정신과학회지 Vol.11 No.1

        Object: Show the treatment about Jungkijeung(Zhongqizbeng) by distinguishing Apoplexy(Zhongfeng), yujungfung(Leizhongfeng), gualjung(Juezheng), and observation of cause, process, quality. Method: Researched definition, cause, process, treatment and herb med through chinese & korean medical publication refered to Jungkijeung(Zhongqizheng) Result: 1. Jungkijeung(Zhongqizheng) is simmilar to Apoplexy(Zhongfeng) that spiritual shock occurred to syncope, dysarthria, trismus, quadriplegia. But the symptom of Jungkijeung(Zhongqizheng) is coldness, no-sputum, sink-pluse; that of Apoplexy(Zhongfeng) is warmness, much secretion, float-pulse. 2. Jungkijeung(Zhongqizheng) is mainly caused by the serious anger and the reverse movement of spints by the seven emotional factor. The process of Jungkijeung(Zhongqizheng) are "Fire and Fever(huore)" "Weatness and sputum(shitan)", and most importantly "Weakness of vital-qi(qixi)" 3. The treatment of Jungkijeung(Zhongqizheng) is adjustment and circulation of jiao. In early stage, don't use of Apoplexial-Med. 4. As following herb-med are used for Jungkijeung(Zhongqizheng). Sohaphang-won(Suhexiangyan) is 18 times; Palmisungi-san(Baweishunqisan) is 13 times; kang-tang(Jiangtang) is 8 times; Mokhyangsungi-san(Muxiangshunqisan) is 6 times. 5. Atractylodes macrocephala KOIDZ(Baishu) is used for 40 times most frequently, Saussurea lappa CLARKE(Muxiang), Cyperus rotundus L (Xiangfuzi), Citrus unshiu MARCOR(Chenpi), Glycyrrhiza uralensis FISCH(Gancao), poria cocos WOLF (Furing), Panax ginseng NESS (Renshen) etc are orderly used. 6. Acupoints same as GV20(Baihui), L14(Hegu), Liv2(Xubgjian), 12 Junghyul(Jingxue) is used for acupunture. And CV8(Shenque), CV4(Guanyan) is used for moxibustion. Conclusion: As Jungkijeung(Zhongqizheng) is differed from Apoplexy(Zhongfeng), yujungfung(Leizhongfeng), gualjung(Juezheng), we must also cure Jungkijeung(Zhongqizheng) to the other disease. It is need to distinguishment Jungkijeung(Zhongqizheng) from neurotic psychotic disease, though similar to conversation neurosis.

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