풀러렌-물 클러스터의 상호작용에 대한 양자 역학적 이론 연구

김성현,신창호,김지선,강소영,김승준,Kim, Sung-Hyun,Shin, Chang-Ho,Kim, Ji-Sun,Kang, So-Yung,Kim, Seung-Joon 대한화학회 2015 대한화학회지 Vol.59 No.1

풀러렌(fullerene)의 내부에 캡슐화될 수 있는 물 분자의 수와 물 분자들이 증가함에 따라 풀러렌의 안정적인 구조에 미치는 영향을 조사하기 위해 밀도 범함수 이론(density functional theory, DFT)을 이용하여 풀러렌-물 클러스터$(H_2O)_n@C_{60}$, (n=1-10)의 구조 변화에 따른 열역학적 안정성 및 결합에너지를 계산하였다. 각각의 구조들에 대해서 여러 이론 수준에서 최적화하였으며 진동주파수를 계산하여 가장 안정한 구조를 조사하고 IR 스펙트럼을 예측하였다. 또한 풀러렌 내의 물 분자 수가 증가함에 따른 수소결합의 세기 변화를 순수한 물 클러스터$(H_2O)_n$, (n=1-6)의 수소결합과 비교 분석하였다. The density functional theory (DFT) calculations on $(H_2O)_n@C_{60}$, (n=1-10) complexes have been performed to elucidate hydrogen interaction between fullerene and water clusters. The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. We also compare the H-bond interaction between $(H_2O)_n$ and $(H_2O)_n@C_{60}$, (n=1-10) clusters.

골절 방지 시스템의 개발을 위한 낙상 시뮬레이션과 충격 흡수 시스템에 관한 연구

김성현,김동욱,김남균,Kim, S.H.,Kim, D.W.,Kim, N.G. 대한의용생체공학회 2010 의공학회지 Vol.31 No.6

The social activities of the elderly have been increasing as our society progresses toward an aging society. As their activities are increased, the occurrence of falls that could lead to fractures are increased. Falls are serious health hazards to the elderly and we need more thorough understanding of falls including the progress of falls and the impact area in various fall directions. Many of the traditional methods of falls research dealt with voluntary falls by younger subject since older subject can easily get fracture from voluntary falls. So, it has been difficult to get exact data about falls of the elderly. Here, we tried to capture the characteristics of the movements of major joints using three dimensional motion capture system during falls experiments using a moving mattress that can safely induce unexpected falls. Healthy younger subjects participated in the actual falls experiment and the moving mattress was actuated by a pneumatic system. The kinematic parameters such as velocities of major segments were imported to a computer simulation environment and falls to hard surfaces were simulated in a computational environment using a realistic human model of aged persons. The simulation was able to give approximations to contact forces which can occur during actual falls. And we designed impact absorption system to reduce the impact during falls. We can adapt this system to fracture prevention system that we are going to study.

치주치료 후 구강 내 Volatile Sulfur Compounds(VSC)의 변화

김성현,채경준,정의원,김창성,최성호,조규성,채중규,김종관,방은경,Kim, Sung-Hyun,Chae, Gyeong-Jun,Jung, Ui-Won,Kim, Chang-Sung,Choi, Seong-Ho,Cho, Kyoo-Sung,Chai, Jung-Kyu,Kim, Chong-Kwan,Bang, Eun-Gyeong 대한치주과학회 2006 Journal of Periodontal & Implant Science Vol.36 No.3

Oral malodor may cause a significant social or psychological handicap to those suffering from it. Oral malodor has been correlated with the concentration of volatile sulfur compounds (VSC) produced in the oral cavity. Specific bacteria identified in the production of VSC have been reported and many of these bacteria are commonly suspected periodontal pathogens. The aim of this study was to estimate the change of the VSC concentration after periodontal treatment, Twenty subjects with probing depth $(PD)\;{\geq}5mm$ (experimental group) and 20 subjects with PD<5mm (control group) participated. VSC concentration measurement was made with gas chromatography. VSC concentration was measured at pre-treatment, 2 weeks after scaling and 1 month after periodontal treatment(root planning and flap operation). Maximum probing depth and bleeding on probing(BOP) were also examed at pretreatment and 1 month after periodontal treatment, The conclusions were as follow: 1. In the experimental group VSC concentration and CH3SH/H2S ratio were higher than control group. (p<0.05) 2. Both VSC concentration and CH3SH/H2S ratio showed decrease after periodontal treatment, But only CH3SH/H2S ratio after 1 month periodontal treatment was statistically significantly different from pre-treatment. (p<0.05) 3. CH3SH/H2S ratio tended to be on increase according to maximum probing depth and bleeding on probing. Periodontal disease could be a factor that caused oral malodor and oral malodor could be decreased after periodontal treatment.

N과 AlN 시트에 다양한 기체(CO_x, NO_x, SO_x)의 흡착에 관한 이론 연구

김성현,김백진,신창호,김승준,Kim, Sung-Hyun,Kim, Baek-Jin,Shin, Chang-Ho,Kim, Seung-Joon 대한화학회 2017 대한화학회지 Vol.61 No.1

본 연구는 그래핀과 유사한 2차원 붕소-질소(BN)와 알루미늄-질소(AlN) 시트에 여러 대기 유해 가스($CO_x$, $NO_x$, $SO_x$)가 흡착될 때의 구조적 특징과 결합에너지를 밀도 범함수 이론(DFT)과 MP2 방법을 사용하여 연구하였다. 분자 구조는 $B3LYP/6-31G^{**}$와 $CAM-B3LYP/6-31G^{**}$이론 수준에서 최적화하고, 진동 주파수를 계산하여 열역학적으로 가장 안정한 분자 구조를 확인하였다. 결합에너지는 $MP2/6-31G^{**}$ 이론 수준에서 한 점(single point) 에너지를 계산하고, 영점 진동에너지(ZPVE)와 바탕집합 중첩에러(BSSE)를 모두 보정하였다. BN 시트에 가스의 흡착은 모두 물리흡착으로 예측되었으며, AlN 시트에 대한 가스 흡착은 $CO_x$나 $NO_x$에 대해서는 물리흡착이 그리고 $SO_x$에 대해서는 화학 흡착이 일어날 것으로 예측되었다. The adsorption of various atmospheric harmful gases ($CO_x$, $NO_x$, $SO_x$) on graphene-like boron nitride(BN) and aluminum nitride(AlN) sheets was theoretically investigated using density functional theory (DFT) and MP2 methods. The structures were fully optimized at the $B3LYP/6-31G^{**}$ and $CAM-B3LYP/6-31G^{**}$ levels of theory and confirmed to be a local minimum by the calculation of the harmonic vibrational frequencies. The MP2 single-point binding energies were computed at the $CAM-B3LYP/6-31G^{**}$ optimized geometries. Also the zero-point vibrational energy (ZPVE) and 50%-basis set superposition error (BSSE) corrections were included. The adsorptions of gases on the BN sheet were predicted to be a physisorption process and the adsorptions of gases on the AlN sheet were predicted to be a physisorption process for $CO_x$ and $NO_x$ but to be a chemisorption process for $SO_x$.

한국동해남부해역의 수온이 멸치와 미역의 생산량에 미치는 영향

김성현,김동선,Kim, Seong-Hyeon,Kim, Dong-Sun 해양환경안전학회 2010 海洋環境安全學會誌 Vol.16 No.2

본 연구는 1969~2007년간 한국 전체의 어업생산통계자료에서 멸치 및 미역 생산량 중 1990~2007년간 동해남부해역의 변동 양상을 파악하다. 이를 위하여 국립수산과학원의 같은 기간의 207선 수온자료를 이용하였다. 표층수온의 저온화 시기가 4월이면 미역 생장에 호영향을 주어 미역의 생산량이 많고, 그 시기가 6월이면 멸치에 악영향을 주어 멸치의 생산량이 적게 나타났다. 반대로 표층수온의 고온화 시기가 4월이면 미역 생장에 악영향을 주어 미역의 생산량은 적었고, 그 시기가 6월이면 멸치에 호영향을 주어 멸치의 생산량이 많았다. 표층 수온이 고온화 되면 멸치 생산량은 증가하고, 표층수온이 저온화 되면 미역 생산량은 증가하는 것으로 나타났다. This study looked into changes in catches of anchovy and production of sea mustard(Undaria pinnatifida) in Southern part of East Sea in Korea from 1990 to 2007 out of the fishing industry production statistics of Korea from 1969 to 2007, and then examined the relationship between the productions and the sea temperature. The production of sea mustard(Undaria pinnatifida) decreased when the sea surface temperature was high, as it adversely affected its production, while its production increased when the sea surface temperature was low, as this facilitated its growth.

기천(氣喘)에 대(對)한 문헌적(文獻的) 고찰(考察)

김성현,Kim, Sung-Hyun 대한한방내과학회 1992 大韓韓方內科學會誌 Vol.13 No.2

This study has been carried out to investigate the cause, symptom and treatment of Gi-Chun (氣喘) by referring to 32 literatures. The results were obtained as follows; 1. The factor causing Gi-Chun (氣喘) is almost damage of feeling (七情損傷). 2. The symptom of Gi-Chun (氣喘) is as follows. agony, breathing urgent, cold hand and feet, body tired, low appetite 3. The treatment of Gi-Chun (氣喘) is as follows. Sunpaeganggi(宣肺降氣), Jihaepyungchun(止咳平喘), gudam(去痰) 4. The drugs(herb) of Gi-Chun (氣喘) is as follows. Samatang(四磨湯), Sachiltang(四七湯), Sojaganggitang(蘇子降氣湯), Gilgyungjigaktang(桔梗枳殼湯), Gamisachiltang(加味四七湯), Gamisoyosan(加味逍遙散).

의료기관의 Y2K문제 해결 방안

김성현,Kim, Seong-Hyeon 한국가톨릭의료협회 2000 한국가톨릭병원협회지 Vol.30 No.-

지구는 물의 행성

김성현,Kim, Seong-Hyeon 한국하천협회 2009 하천과 문화 Vol.5 No.1

In situ Structural Investigation of Iron Phthalocyanine Monolayer Adsorbed on Electrode Surface by X-ray Absorption Fine Structure

김성현,강광훈,Kim, Seong Hyeon,Toshiaki Ohta,Gang, Gwang Hun Korean Chemical Society 2000 Bulletin of the Korean Chemical Society Vol.21 No.6

Structural changes of an iron phthalocyanine (FePC) monolayer induced by adsorption and externally applied potential on high area carbon surface have been investigated in situ by iron K-edge X-ray absorption fine structure (XAFS) in 0.5 M $H_2S0_4.$ Fine structures shown in the X-ray absorption near edge structure (XANES) for microcrystalline FePC decreased upon adsorption and further diminished under electrochemical conditions. Fe(II)PC(-2) showed a 1s ${\rightarrow}$ 4p transition as poorly resolved shoulder to the main absorption edge rather than a distinct peak and a weak 1s ${\rightarrow}$ 3d transition. The absorption edge position measured at half maximum was shifted from 7121.8 eV for Fe(lI)PC(-2) to 7124.8 eV for $[Fe(III)PC(-2)]^+$ as well as the 1s ${\rightarrow}$ 3d pre-edge peak being slightly enhanced. However, essentially no absorption edge shift was observed by the 1-electron reduction of Fe(Il)PC(-2), indicating that the species formed is $[Fe(II)PC(-3)]^-$. Structural parameters were obtained by analyzing extended X-ray absorption fine structure (EXAFS) oscillations with theoretical phases and amplitudes calculated from FEFF 6.01 using multiple-scattering theory. When applied to the powder FePC, the average iron-to-phthalocyanine nitrogen distance, d(Fe-$N_p$) and the coordination number were found to be 1.933 $\AA$ and 3.2, respectively, and these values are the same, within experimental error, as those reported ( $1.927\AA$ and 4). Virtually no structural changes were found upon adsorption except for the increased Debye-Wailer factor of $0.005\AA^2$ from $0.003\AA^2.$ Oxidation of Fe(II)PC(-2) to $[Fe(III)PC(-2)]^+$ yielded an increased d(Fe-Np) (1 $.98\AA)$ and Debye-Wailer factor $(0.005\AA^2).$ The formation of $[Fe(II)PC(-3)]^-$, however, produced a shorter d(Fe-$N_p$) of $1.91\AA$ the same as that of crystalline FePC within experimental error, and about the same DebyeWaller $factor(0.006\AA^2)$.

상폐(傷肺)에 의(依)한 비출혈(鼻出血)의 문헌적(文獻的) 고찰(考察)

김성현,Kim, Sung-Hyun 대한한방내과학회 1991 大韓韓方內科學會誌 Vol.12 No.1

It has been known that the nosebleeding is a king hemorrhage occured to be damaged yang-rak (陽略) & lung. the results obtained were as follows; 1. The cause of nosebleeding were divided internal external, these were lung-heat(肺實熱), wind-heat(風熱), dry-heat(煥熱), wind-cold(風寒), summer-heat(暑熱), and those were transporting of Liver-fire(肝火犯肺), Liver-kidney-fire(肝腎陰虛熱傷肺), Stomach-fire(胃火熾盛), Heart-fire(心火千肺). 2. The treatment of external ; Chungpaesulyul(淸肺泄熱), Yanghyuljihyul(凉血止血), Sanpungchungyul(散風淸熱), Jaeumchungjo(滋陰淸煥). 3. The treatment of internal ; Chungkansahwa(淸肝瀉火), Yanghuljihyul(凉血止血), Jayumganghwa(滋陰降火), Chunguysahwa(淸胃瀉火). The cause of nosebleeding was almost heat (fire), and the treatment were Sanpyo(散表) & Chungri(淸裏).