치환 옥사졸의 양성자 친화도에 대한 ab initio 연구

이현미,이송은,장만식,박병각,이갑용,Lee, Hyun-Mee,Lee, Song-Eun,Chang, Mahn-Sik,Park, Byung-Kak,Lee, Gab-Yong 대한화학회 1995 대한화학회지 Vol.39 No.7

옥사졸 고리를 포함하는 lexitropsin에서, DNA minor groove의 염기쌍(G-C sequence)과 결합하는 부분인 옥사졸의 최적화된 기하학적 구조를 MM+ 및 ab initio(Hartree-Fock) 계산을 통해 밝혔다. 최적화딘 구조에 대해 6-31G 및 $6-31G^{\ast}$ basis set를 사용하여 양성자 친화도와 전자적 구조를 계산하였다. 아울러 옥사졸의 양성자 친화도에 미치는 치환기 효과를 알아보기 위해 전자를 주는 기와 전자를 끄는 기를 갖는 여러 치환 옥사졸에 대해 양성자 친화도를 조사하였다. 그 결과 전자를 주는 기는 옥사졸의 양성자 친화도를 증가시키는 반면 전자를 끄는 기는 양성자 친화도를 감소시킴을 알았으며, 이 결과를 치환 옥사졸의 산소의 atomic charge와 전자밀도로 설명할 수 있었다. The geometry optimization of oxazole, relevant to the binding of lexitropsin that contains this ring to the base pair (G-C sequence) of minor groove of DNA, is performed with the aid of MM+ and ab initio (Hartree-Fock) calculations. The proton affinity and electronic structure are calculated at the 6-31G and $6-31G^{\ast}$ level for the optimized geometry. The proton affinities are also studied for various substituted oxazoles with the electron-donating and -withdrawing groups to estimate the substituent effect on the proton affinities of oxazoles. It is shown that the electron-donating substituents increase the proton affinity of oxazole, while the electron-withdrawing substituents decrease it. This result can be explained with atomic charge and electron density at oxygen of substituted oxazoles.

옥사졸의 양성자 친화도에 대한 DFT 연구

이현미,이갑용,Lee, Hyun-Mee,Lee, Gab-Yong 대한화학회 2007 대한화학회지 Vol.51 No.1

옥사졸 고리를 포함하는 lexitropsin에서, DNA minor groove의 구아닌-시토신 염기쌍의 구아닌과 수소결합을 형성하는데 중요 역할을 하는 옥사졸에 대해, 양성자화 될 때 가능한 두 가지 형태에 대해 DFT 계산을 통해 구조를 최적화시켰다. 최적화된 구조에 대해 B3LYP/6-31G* 수준에서 양성자 친화도를 계산하였다. 그 결과 옥사졸의 가능한 두 가지 형태 가운데 옥사졸의 질소 원자가 DNA minor groove 쪽으로 배향된 구조가 산소 원자가 minor groove 쪽으로 배향된 구조보다 양성자 친화도가 더 큼을 알 수 있었으며, 분자정전기 전위로 확인할 수 있었다. 아울러 양성자 친화도에 미치는 치환기 효과를 알아보기 위하여 여러 전자 주는 기와 전자 받는 기를 치환시켜 치환기 성질에 따른 양성자 친화도를 조사하였으며, 전자를 받는 기 보다 전자를 주는 기가 치환 되었을 때 양성자 친화도가 증가함을 알았다. The oxazole plays an important role in the binding of lexitropsin to the guanine-cytosine base pair from minor groove of DNA. The geometry optimization is performed with DFT calculations for the two possible conformations of the protonated oxazole. The proton affinities are calculated at B3LYP level of theory with 6-31G* basis set for the optimized geometry. It is found that the proton affinites of the conformations in which the oxazole nitrogen is the protonation center are greater than that of the conformations in which the oxazole oxygen is the protonation center. This result is in good agreement with molecular electrostatic potential (MEP) contour map. The proton affinities are also studied for various substituted oxazoles with the electron-donating and -withdrawing groups to estimate substitutent effect on the proton affinity at the hydrogen bonding site of the oxazoles. it is shown that the electron-donating substituents increase the proton affinity of oxazole, while the electron-withdrawing substituents decrease it.

기초과학연구논집 - 1994 년 연구실적편 - / 화학 : 이미다졸의 양성자 친화도에 미치는 치환기 효과에 대한 이론적 연구

이현미(Hyun Mee Lee),이갑용(Gab Yong Lee) 대구가톨릭대학교 자연과학연구소 1994 기초과학연구논문집 -연구실적편- Vol.1994 No.-

글로벌 인터넷 쇼핑몰의 패션제품 구매의도 형성에 관한 연구

이현미 ( Hyun Mee Lee ) 복식문화학회 2012 服飾文化硏究 Vol.20 No.4

The purpose of this study was to investigate consumers` buying intention toward fashion goods through global internet shopping malls. This research employed Technology Acceptance Model (TAM) as a theoretical framework and was extended to introduce fashion innovativeness, clothing involvement, consumers needs for uniqueness, computer self-efficacy as external factors, A total of 381 copies of questionnaires were collected online. The subjects of this study were women. The collected date were analysed by factor analysis, Cronbach`s alpha, correlation and path analysis. The results indicated that fashion innovativeness, clothing involvement and consumers` needs for uniqueness had a significant positive affect on perceived usefulness. Consumers needs for uniqueness and computer self-efficacy had a significant positive affect on perceived ease of use. Perceived usefulness and perceived ease of use were found to influence buying intention toward fashion goods through global internet shopping malls, The results of this study also suggested that perceived ease of use was actually a causal antecedent to perceived usefulness, This study reveled that employing TAM to investigate the buying intention toward fashion goods through global internet shopping malls was appropriate. This study also provides empirical analysis that can serve as a guide for marketers of the fashion industry in activating global internet shopping malls.

기초과학연구논집 - 1995 년 연구실적편 - / 화학 : 치환 옥사졸의 양성자 친화도에 대한 ab initio 연구

이현미(Hyun Mee Lee),이송은(Song Eun Lee),장만식(Mahn Sik Chang),박병각(Byung Kak Park),이갑용(Gab Yong Lee) 대구가톨릭대학교 자연과학연구소 1995 基礎科學硏究論集 Vol.9 No.-

일회용(一回用) 의료용(醫療用) 의복(衣服)에 대(對)한 연구(硏究)

이현미 ( Hyun Mee Lee ) 한국패션비즈니스학회 2002 패션 비즈니스 Vol.6 No.1

The purpose of this study was to provide the basic informations of disposable medical clothes and develop new disposable medical clothes which are not caused environmental pollutions. The staffs of Yuhan-Kimberly and doctors, nurses and personnel of four general hospitals in Seoul were interviewed individually in order to collect useful data of disposable clothes. Also the samples of disposable medical clothes were examined. The materials, designs, size of potential market and actual consumption conditions of disposable medical clothes were found out. New disposable medical clothes were made after having considered all the aspects examined above. Two kind of medical gowns and caps, a kind of medical apron, three kinds of patient robes and a kind of patient cap were made of Korean traditional paper with specific functions instead of nonwoven polypropylene fabric.

궁정회화(宮廷繪畵)를 통해 본 청대복식(淸代服飾) 연구(硏究) -순치(順治) 15년(年)부터 가경(嘉慶) 19년(年)까지를 중심(中心)으로-

이현미 ( Hyun Mee Lee ),신경섭 ( Kyeong Seob Shin ) 한국패션비즈니스학회 2002 패션 비즈니스 Vol.6 No.1

The purpose of this study was to correctly understand the costume of Qing dynasty in the court painting. The starting point of this study was that the painting typically reflects the cultural values, social significations, costume and aesthetic outlook of that period when the paintings were done. Based on this regard, this study analyzed the costume of figure paintings in the court painting of the Qing dynasty that complied and edited by the Palace Museum. The court dress of Qing dynasty represented not only the spiritual world of Manchu tribes but also the influences of Chinese traditional culture. The court dresses of Kangxi and Qianloug showed definitely the luxury of life of Qing court. The everyday dress of Qing dynasty reflected the nomadic environments and it was very simple. The hunting dress of Qing dynasty was very developed and also represented horse riding and hunting activities of their traditional life. The ladies of Qing dynasty enjoyed to dress the costume of old Chinese style. The appearance of noble women was fragile and slim.

확장된 혁신기술수용모델을 이용한 웨어러블 컴퓨터의 수용에 관한 연구

이현미 ( Hyun Mee Lee ) 服飾文化學會 2009 服飾文化硏究 Vol.17 No.6

치환 퓨란의 양성자 친화도에 대한 Ab Initio 연구

이갑용,이현미,Lee, Gab Yong,Lee, Hyun Mee 대한화학회 1998 대한화학회지 Vol.42 No.4

퓨란 고리를 포함하는 bis-furan lexitropsin에서, DNA minor groove의 염기쌍과 결합하는 중요 부분인 퓨란의 기하학적 구조를 반경험적 방법(MNDO)과 ab initio(Hartree-Fock) 방법으로 최적화 시켰다. 최적화된 구조에 대해 6-31G와 $6-31G^{\ast}$ basis set을 사용하여 전자적 구조와 양성자 친화도를 구하였다. 아울러 퓨란의 양성자 친화도에 미치는 치환기 효과를 알아보기 위해 전자를 주는 기와 전자를 끄는 기를 갖는 여러 치환 퓨란에 대해 양성자 친화도를 조사하였다. 그 결과 전자를 주는 기는 퓨란의 양성자 친화도를 증가시키는 반면 전자를 끄는 기는 양성자 친화도를 감소시켰으며, 이 결과 치환 퓨란의 산소 원자의 atomic charge와 전자밀도로 설명할 수 있었다 The geometry of furan, relevant to the binding of bis-furan lexitropsin that contains this ring to the base pair of minor groove of DNA, is optimized by semiempirical (MNDO) and ab initio (Hartree-Fock) methods. The proton affinity and electronic structure are evaluated at the 6-31G and $6-31G^{\ast}$ level of theory for the optimized geometry. The proton affinities are also studied for various substituted furans with the electrondonating and -withdrawing groups to estimate the substituent effect on the proton affinity of furans. It has been found that the electron-donating substituents increase the proton affinity of furan, whereas the electron-withdrawing substituents decrease it. This result can be explained with atomic charge and electron density at oxygen of substituted furans.

교차결합제 구조가 콘택트렌즈의 약물용출 및 항균효과에 미치는 영향

이필헌,이현미,Lee, Pil-Heon,Lee, Hyun Mee 대한화학회 2021 대한화학회지 Vol.65 No.5

본 연구는 콘택트렌즈를 중합 시 사용하는 교차결합제의 구조가 콘택트렌즈의 물리적 특성 및 약물 용출에 미치는 영향을 조사하였다. 4종의 교차결합제를 0.3%와 3%를 각각 사용하여 콘택트렌즈를 제작하였으며 약물은 안약에 사용하는 ofloxacin을 사용하였다. 친수성 교차결합제를 사용한 콘택트렌즈는 함수율과 습윤성이 향상되었으며 친수성 작용기가 많을수록 효과가 크게 나타났다. 약물용출 농도는 친수성이 강한 교차결합제 사용 시 가장 높게 나타났으며 교차결합제의 농도가 높은 콘택트렌즈는 용출되는 약물 농도가 낮고 용출시간은 길어졌다. 콘택트렌즈의 교차결합제 구조는 콘택트렌즈의 성능 향상과 약물 방출조절에 영향을 주었다. This study investigated the effect of the structure of the crosslinking agent used in contact lens polymerization on the physical properties and drug dissolution of contact lenses.es Contact lenses were manufactured using 0.3% and 3% of 4 types of crosslinking agents, respectively, and ofloxacin was used as the drug. Contact lenses using hydrophilic crosslinking agents improved water contents and wettability, and the more hydrophilic functional groups, the greater the effect. Contact lenses with a high concentration of crosslinking agent had a low concentration of eluted drug and a longer release time. The cross-linking agent structure of contact lenses had an effect on improving the performance of contact lenses and controlling drug release.