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벌독으로 인한 혈청병 양상의 두드러기 및 맥관부종 치험 1례
김정현,강다혜,김지영,임해원,김자헌,권강,Kim, Jung-Hyun,Kang, Da-Hae,Kim, Jee-Young,Lim, Hae-Won,Kim, Ja-Heon,Kwon, Kang 대한한방안이비인후피부과학회 2011 한방안이비인후피부과학회지 Vol.24 No.3
Objective : This study was performed to prove the effect of the oriental medical treatments on urticaria and angioedema caused from serum sickness reaction by bee venom. Method : We treated one case of urticaria and angioedema with oriental medical treatments such as 8 constitution acupuncture, herbal medicine, venesection therapy and facial pack therapy. We took pictures through the treatment to evaluate the improvement. Six items, itching, burning sensation, pain, wheal, redness, edema were used to diagnose urticaria and angioedema. Result & Conclusion : After treatments the urticaria and angioedema were improved. The symptom of itching, heating, pain, wheal, redness of whole body and facial edema disappeared.
Theoretical Studies on Pillared Covalent Organic Frameworks for a Hydrogen Storage Material
Daejin Kim,김자헌,최기항,Dong Hyun Jung,Seung-Hoon Choi 한국물리학회 2008 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.52 No.4
Pillared covalent organic frameworks (PCOFs) have been studied with density functional theory (DFT) calculations. Based on the covalent organic framework-1 (COF-1) structure, one of the COFs synthesized by using the condensation reactions of phenyl diboronic acid C6H₄[B(OH)₂]₂, we inserted pillar molecules between the organic layers to improve the physisorption ability for hydrogen molecules. Pyridine, pyrazine and 1,4-diaza-bicyclo[2.2.2]octane (DABCO) could be considered as the candidates for the pillar molecules and pyridine wad used as the pillar in this study. The binding sites and the orientations of the pillar molecules were investigated on cluster models of COFs. From the calculations, we observed puckering in the cluster model of the COF, which were caused by binding of pyridine molecules.
Density Functional Study on Metal Decoration onto a Metal-Organic Framework
Dong Hyun Jung,김자헌,최기항,Daejin Kim,Seung-Hoon Choi 한국물리학회 2008 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.52 No.4
We carried out density functional theory calculations on the adsorption of a Ti atom at the Zn-O3, Zn-O2 and Hex sites in one of isoreticular metal-organic frameworks (IRMOFs). The binding energy is largest at the Hex site and smallest at the Zn-O3 site. Through the analyses of the orbitals and then density of states plots, we also found that the binding at the Hex site was due to direct orbital overlap between the Ti atom and the carbon atoms of the phenyl ring. When a Ti atom binds to the Zn-O3 site, the interactions of the d orbitals of the Ti atom with the adjacent oxygen atoms have anti-bonding characters. At the Zn-O2 site, however, the d orbitals of the Ti atom have bonding interactions with the oxygen atoms of the carboxylate groups. Thus, the binding energy is larger at the Zn-O2 site than at the Zn-O3 site.
Metal-Organic Framework의 수소 흡착 메커니즘의 이해
이태범(Lee, Tae-Bum),김대진(Kim, Dae-Jin),윤지혜(Yoon, Ji-Hye),최상범(Choi, Sang-Beom),김자헌(Kim, Ja-Heon),최승훈(Choi, Seung-Hoon) 한국신재생에너지학회 2005 한국신재생에너지학회 학술대회논문집 Vol.2005 No.11
Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of H₂C<sub>6</sub>H<sub>6</sub> model system the adsorption energy of hydrogen molecule into MOF was investigated with the consideration of the favorable adsorption sites and the orientations. We also calculated the second favorable adsorption sites by geometry optimization using every combination of two first absorbed hydrogen molecules. Based on the calculation of first and second adsorption sites and energies, the hydrogen adsorption into MOF follows a cooperative mechanism in which the initial metal sites initiate the propagation of the hydrogen adsorption on the whole frameworks. In addition, it was found that the interaction strength between the simple benzene ring with hydrogen is significantly reinforced when the benzene ring has been incorporated into the framework of MOFs.
분자 동역학을 이용한 상호 관통된 Metal Organic Framework의 수소 흡착에 관한 연구
이태범(Lee, Tae-Bum),김대진(Kim, Dae-Jin),정동현(Jung, Dong-Hyun),김자헌(Kim, Ja-Heon),최승훈(Choi, Seung-Hoon) 한국신재생에너지학회 2006 한국신재생에너지학회 학술대회논문집 Vol.2006 No.06
We performed molecular dynamics simulations on the conventional MOF, IRMOF-14 and the catenated MOF with two MOF chains, IRMOF13, to find out rational design and synthetic strategies toward efficient hydrogen storage materials. The molecular dynamics calculations were done using Universal force fields and the analysis of result was performed during the NVE dynamics after preliminary NVT dynamics at 77K. The results showed the density of adsorbed hydrogen molecules was increased in the various pores created by catenation of MOFs while the large amount of volume in conventional MOF was not effectively utilized to store hydrogen. Those calculation results commonly showed the proper control of pore si Be for hydrogen storage into MOF by catenation would be one of the efficient ways to increase hydrogen capacity of MOFs.