Dipentene의 異性質化反應에 關한 分子軌道論的 硏究

李甲龍 대구효성 가톨릭 대학교 1984 연구논문집 Vol.29 No.2

The molecular orbital theory was applied to the isomerization of dipentene. The frontier electron density was calculated for dipentere isomers by extended Huckel method. The mechanism of the base-catalyzed isomerization for dipentene was explained satisfactorily with the calculated frontier electron density. This interpretation was in agreement with that which was obtained from experimental results made by others. The isomerization of dipentene proceeds by an anion mechanism and it was found that electrophilic reaction occured pridominatly at larger position of frontier electron density.

Co(Ⅱ)착물의 금속-리간드 사이의 결합에너지와 실측 리간드화열과의 상관성에 관한 EHT-ZINDO/1 연구

이갑용,김하영,송영대 대구효성가톨릭대학교 자연과학연구소 1997 基礎科學硏究論集 Vol.11 No.2

The correlation was investigated between the obseved heat of ligation and calculated bond energy for octahedral Co(Ⅱ) coHplexes by EHMO(Extended H?ckel Molecular Orbital) and ZINDO/1(Zerner's Intermediate Neglecte of Differential Overlap)method. The net charge of Co2+ion of octahedral [ Co(H2O)6-x(NH3)x]2+ complexes( x= 0, 1‥‥6) is decreased with substituting NH3 for H2O molecule. It was found that a good retationship exists between the observed heat of ligation and the calculated quantum chemical quantities, net charge of central atom, enthalpy of formation, and total dissociation energy. From this fact, we can obtain a linear equation ΔHabs = -0.7728qco +1.2917, ΔHabs =0.0085H?+0.5556, ΔHabs = 0.1279Ediss+0.7510,theoretical equation.

텅스텐-보론-질소 화합물 박막의 식각 특성

이창우,김지곤,이갑용 국민대학교 2002 기초과학연구소 논문집 Vol.21 No.-

텅스텐-보론-질소 화합물 박막을 만들기 위하여 보론과 질소의 불순물을 주입한 다음, 결정구조를 조사하였으며, 이러한 박막의 식각 특성을 조사하기 위하여 고온에서 열처리한 다음에 Cu박막을 WBN 박막위에 증착한 다음에 열처리를 하였고 여기에서 열적인 특성을 조사하였다. 1000Å의 박막을 rf magnetron sputtering 방법을 이용하여 증착한 후에 박막의 전기적, 구조적인 특성을 측정하였으며, RBS 측정을 통하여 박막내에 존재하는 보론과 질소의 농도를 분석하였고, XRD 측정을 통하여 결정성을 조사하였다. 이로부터 확산방지막내의 보론과 질소 등의 불순물이 많이 들어감에 따라 Cu가 Si 속으로 얼마나 들어가는가를 효과적으로 조사하였다. WBN 확산방지막의 역할은 850℃까지 고온 열처리를 하는 경우에 Cu 원자가 Si 속으로 확산되어 나가는 것을 효과적으로 방지하는 것을 알 수 있었다. 텅스텐-보론-질소 화합물 박막의 비저항은 N₂가스의 유량비를 조절함으로써 쉽게 조절할 수 있었으며, 텅스텐-보론-질소 화합물 박막을 Cu 확산 방지막으로 적용했을때 적절한 질소와 보론의 농도가 들어간 확산방지막에서는 효과적으로 Cu의 확산을 방지하는 것을 알 수 있었다. To investigate the effects of thermal stabilities of boron and nitrogen impurities in the tungsten boron nitride (W-B-N) thin film, we are deposited 1000Å thick W-B-N thin film with rf magnetron sputtering method, and measured the electrical and structural and etching properties of thin films. We measure the RBS (Ruthreford backscattering spectrometry) for the concentration of boron and nitrogen impurities, the XRD pattern for crystallinity, respectively. The impurity behaviors of B and N provide stuffing effect that is very effective for preventing the interdiffusion of Cu and Si atoms during the high temperature annealing process. The resistivity of tungsten-boron-nitrogen thin film is easily changed by controlling the N₂ gas partial pressure ratios. W-B-N diffusion barriers do not react with Si during annealing in N₂ ambient up to 900℃ for 30 min and prevent interdiffusion of Cu atoms at over than 850℃ foir 30 min. Hence, the diffusion barriers of the tungsten-boron-nitrogen compound thin films are stable for Cu metallization during the high temperature annealing process.

전해질 용액의 표면장력에 관한 연구

李甲龍 대구효성가톨릭대학교 1989 연구논문집 Vol.39 No.1

The surface tensionof aqueous electrolyte solutins of KBr, KI, KBrO₃have been measured over a fairly dilute range of concentration. The results showed that the surface tension decrease at first with the increase of concentration and passing the minimum, the surface tension starts to increase, but the results could not be seen in nonelectrolyte solutions. The theoretical surgace tensions calculated from the correlation between concentration and surface tension obtained by means of least square method are in good agreement with experimental results below 0.0007mol/l. And Ethanol as surfactant decrease surface tension at every concentraton adopted in this study.

이미다졸의 양성자 친화도에 미치는 치환기 효과에 대한 이론적 연구

李賢美,李甲龍 대구효성가톨릭대학교 자연과학연구소 1994 基礎科學硏究論集 Vol.1994 No.1

이미다졸 고리를 포함하는 lexitropsin에서, DNA minor groove 의 염기쌍(G-C Sequence)과 결합하는 부분인 치환이미다졸의 양성자 친화도를 확장분자궤도함수법으로 조사하였다. 그 결과 메틸이미다졸의 경우 염기중심 질소의 α 위치에 치환된 이미다졸이 N 에 치환된 이미다졸보다 양성자 친화도가 약간 더 크게 나타났으며 다른 치환이미다졸의 경우에는 N에 치환된 이미다졸이 α 우치에 치환된 이미다졸보다 양성자 친화도가 더 크게 나타났다. 예상한 바와 같이 이미다졸의 N에 전자를 미는기가 치환될 때 모두 양성자 친화도가 증가함을 알 수 있었다. The proton affinities of substituted imidazoles, relevant to the binding of lexitropsins that contain imidazole ring to the base pair(G-C sequence) of minor groove of DNA, are studied with the aid of EHT calculations. It is shown that proton affinity of imidazole substituted at position α to the basic nitrogen is slightly larger than that of imidazole substituted at N for the methylimidazole. Proton affinities of N-substituted imidazoles are found to be larger than those of imidazoles substituted at position α for a selected set of the other derivatives. As predicted the proton affinity increases when electron-donating group is attached at position N of imidazole.

아토피 피부염 치료 처방에 대한 方劑學的 考察

이상현,윤용갑 한국전통의학연구소 2006 한국전통의학지 Vol.15 No.1

In Oriental Medicine, Atopic dermatitis(AD) belongs to the category of the Naesun(奶癬), Taesun(胎癬), Taeryumchang(胎斂瘡), Eczema(濕疹), Seupchang(濕瘡) Samanpung(四彎風), Chimumchang(浸淫瘡). The Basic Prescriptions which have been used for treatment of Atopic dermatitis are saengryusamultang(生料四物湯), Onchungeum(溫淸飮), Seungmagalgeuntang(升麻葛根湯), Hoichunryangkyuksan(回春凉膈散), Doghengsan(導赤散), Pyungweesan(平胃散), Heungbangpaedoksan(荊防敗毒散), Goomigangharltang(九味羌活湯), Baekhotang(百虎湯), Gaegytang(桂枝湯), Yukmigihyuangtang(六味地黃湯). AD can divide three groups, Acute-Type, Semiacute-Type, Chronic-Type, according to it's condition. This study shows that it can be applicate Seungmagalgeuntang(升麻葛根湯), Hoichunryangkyuksan(回春凉膈散), Doghengsan(導赤散), Heungbangpaedoksan(荊防敗毒散), Goomigangharltang(九味羌活湯), Baekhotang(百虎湯), Gaegytang(桂枝湯) for treatment of Acute-Type, Pyungweesan(平胃散) for treatment of Semiacute-Type, and saengryusamu1tang(生料四物湯), Onchungeum(溫淸飮) for treatment of Chronic-Type.

Hammett Equation에 대한 理論的 硏究(제2보)

李甲龍 대구효성가톨릭대학교 1986 연구논문집 Vol.33 No.1

Quantum chemical calculations were carried out to analyze the Hammett's substituent constants theoretically for the substituted naphthalenes by means of HMO method. Hammett's σ-values have been theoretically proved to treat as the sum of formal charge and self atom polarizability. That is, the more these values increase, the more those ones increase. Namely, a linear relationship was shown in connection with these values and Hammett's substituent constants.

하악골에 발생한 거대한 cemento-ossifying fibroma의 치험례

이상철,권용대,이백수,김여갑,류동목,박종오 大韓顎顔面成形再建外科學會 2000 Maxillofacial Plastic Reconstructive Surgery Vol.22 No.1

The cemento-ossifying filbroma is a well-demarcated and occasionally encapsulated neoplasm composed of fibrous tissue that contains varying amounts of calcified tissue resembling bone, cementum, or both. The greatest number of cases are encountered during the third and fourth decades of life and there is a definite female predilection, with female-to-male ratios as high as 5 : 1 being reported. The mandible is involved far more than the maxilla, and 90 percent of all cases are located in the mandible. The mandibular premolar-molar area is the most common site. Radiographically, the lesion is most often well defined and unilocular. Depending on the amount of calcified produced in the tumor, it may appear as completely radiolucent : more often it shows varying degrees of radiopacity. Some lesions may be largely radiopaque with a radiolucent halo. On microscopic study, the tumor is composed of fibrous tissue of varying degrees of cellularity containing calcified material. This may be in the form of trabeculae of osteoid and bone or basophilic ovoid calcifications that resemble cementum-like material. Admixture of the two types of calcifications are commonly seen. On this case, large cemento-ossifying fibroma has grown in the mandible and this lesion was treated by complete surgical excision and posterior iliac bone graft. A review of literature and a report of a case of cemento-ossifying fibroma are presented.

메탄올의 양성자 전달반응에 대한 연구

이갑용 대구효성가톨릭대학교 1998 연구논문집 Vol.58 No.2

The reaction between O-·and CH₃OH have been studied using ab initio method. Geometry optimizations were carried out at the DFT(Density Funtional Theory) level with the 6-31+G(d) basis set for the reactants, products, complexes and TS related in the reaction. The frequencies were also calculated to estimate zero-point correction and to confirm true minima for the compounds. It is shown that the density finctional energy barrier is 2.6kcal/mol for the reaction of production HO·and CH₃O- as products. The reaction enthalpy is found to be -4.3kcal/mol for that reaction.

Flavone acetic acid 유도체의 생물학적 활성에 대한 이론적 연구

이갑용,이송은 대구효성가톨릭대학교 1997 연구논문집 Vol.55 No.2

The geometry optimizatoins of 1,4-pyrone derivatives those are taken as model compounds of calculation for flavone acetic acid (FAA) derivatives, have been carried out with AM1 method so as to study the biological activity. Molecular electrostatic potentials are obtained from the results of ab inito calculation at STO-3G level using the AM1 optimized geometry. It is shown that the position of minimal negative electro static potential is changed with substituent and the active site of FAA derivatives can be estimated from that position. Drug activity of FAA derivatieves can be explained with electrostatic potential value of 1,4-pyrone derivatives.