• Journal of Electrochemical Science and Technology
• /
• 제4권2호
• /
• pp.71-80
• /
• 2013

The study of methyl viologen ($MV^{2+}$) mediated oxygen reduction in electrolytic ethanol media possesses potential application in the electrochemical synthesis of hydrogen peroxide mainly due to the advantages of the much increased solubility of molecular oxygen ($O_2$) and high degree of reversibility of $MV^{2+/{\bullet}+}$ redox couple. The diffusion coefficients of both $MV^{2+}$ and $O_2$ were investigated via electrochemical techniques. For the first time, $MV^{2+}$ mediated $O_2$ reduction in electrolytic ethanol solution has been proved to be feasible on both boron-doped diamond and micro-carbon disc electrodes. The electrocatalytic response is demonstrated to be due to the radical cation, $MV^{{\bullet}+}$. The homogeneous electron transfer step is suggested to be the rate determining step with a rate constant of $(1{\pm}0.1){\times}10^5M^{-1}s^{-1}$. With the aid of a simulation program describing the EC' mechanism, by increasing the concentration ratio of $MV^{2+}$ to $O_2$ electrochemical catalysis can be switched from a partial to a 'total catalysis' regime.

• 멤브레인
• /
• 제23권6호
• /
• pp.393-408
• /
• 2013

고분자 분리막을 이용한 기체 분리막은 높은 에너지 효율, 경제적인 장점으로 최근 수년간 지속적으로 개발되어 왔다. 최적화된 경제적 성능을 얻기 위하여 기체 분리막은 높은 투과도와 선택도를 가져야 한다. 따라서 기체분리 분리막용으로 다양한 고분자를 시험한 연구 결과들이 보고되어 왔다. 다양한 소재 중, 폴리이미드는 다양한 기체인자에 대하여 높은 투과 선택도와 높은 화학적 열적 안정성, 그리고 물리적 안정성으로 많은 주목을 받아왔다. 따라서 본고에서는 기체분리용 폴리이미드 소재의 개발동향과 분리막의 제조방법, 기체 분리의 원리에 대하여 다루었다.

• 한국광물학회지
• /
• 제10권2호
• /
• pp.82-96
• /
• 1997

Buserties are known to have layer structures with variable C dimension which depended on the nature interlayer catious and contents of water molecular between edge-sharing [MnO6] octabedral layers. Na-, Ca-, Mg-, and Zn-buserties were synthesized in the laboratory and studied for to know the structural states of water molecules and the role of catious in the buserite structures. With lowering the relative humidity(RH), Ca-buserite begins to dehydrate at 27% RH and proceeds further very slowly. Mg- and Zn- buserite also slow dehydration above 2% RH. With gradual ineveasing temperature Ca- and Zn-buserite show abrupt shifting of 10$\AA$ peak (10$\AA$-phare) toward 7$\AA$ peak. All of 7$\AA$-phare are further dehydrated to 5$\AA$-phare by further increasing temperature. It suggests that interlayer catious play a crucial role in the dehydration behavious of buserites. Simulation of one-dimensional X-ray diffraction patterns of buserties show that buserites have three layers of water molecules of different types: the very loosely bound and tightly bend waters, instead of two layers that was regarded by previous authers. The very loosely bound water is sited I open space of the interlayer, the loosely bound water is bound on the tightly bound water by hydrogen bond, and the tightly bond water in coodinately bound on the interlayer catious.

• 한국재료학회지
• /
• 제17권12호
• /
• pp.637-641
• /
• 2007

The total energy and strength of Mg alloy doped with Al, Ca and Zn, were calculated using the density functional theory. The calculations was performed by two programs; the discrete variational $X{\alpha}\;(DV-X{\alpha})$ method, which is a sort of molecular orbital full potential method; Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The fundamental mixed orbital structure in each energy level near the Fermi level was investigated with simple model using $DV-X{\alpha}$. The optimized crystal structures calculated by VASP were compared to the measured structure. The density of state and the energy levels of dopant elements was discussed in association with properties. When the lattice parameter obtained from this study was compared, it was slightly different from the theoretical value but it was similar to Mk, and we obtained the reliability of data. A parameter Mk obtained by the $DV-X{\alpha}$ method was proportional to electronegativity and inversely proportional to ionic radii. We can predict the mechanical properties because $\Delta{\overline{Mk}}$is proportional to hardness.

• 한국인지과학회:학술대회논문집
• /
• 한국인지과학회 2005년도 춘계학술대회
• /
• pp.130-134
• /
• 2005

본 연구는 애너그램(anagram) 문제해결 과제에서 발생하는 제약들(영어 철자연쇄 집합의 출현 확률과 단어 내 위치 확률)을 동시에 병렬적으로 만족시키는 확률 모델 학습과정을 보인다. 애너그램에 관한 많은 선행연구들은 이 문제해결 과정이 단순히 기호처리적인 층위뿐만 아니라 하위기호적(subsymbolic) 층위에서의 상향식 처리로 인해 일어남을 밝혀왔고, 주로 영어 철자의 연쇄체의 확률값을 이용해왔다. 본 연구는 확률 라이브러리 모델(Probabilistic Library Model)을 통해 애너그램 문제해결이 한 번씩 끝날 때마다 철자 연쇄체의 출현 및 위치 분포 확률이 어떻게 유연한 변화를 갖는지에 집중한다. 하나의 문제를 풀고 나면 본 모델은 그 전 문제를 풀었을 때의 상태 패턴으로부터 변화를 보인다. 이러한 분포 변화를 통해 하위기호적 활동의 영향이 문제해결에 있어서 학습구조의 유연한 변화에 중요한 영향을 끼친다는 점을 확인했다.

• 한국생물정보학회:학술대회논문집
• /
• 한국생물정보시스템생물학회 2003년도 제2차 연례학술대회 발표논문집
• /
• pp.3-3
• /
• 2003

With biomedical literature expanding so rapidly, there is an urgent need to discover and organize knowledge extracted from texts. Although factual databases contain crucial information the overwhelming amount of new knowledge remains in textual form (e.g. MEDLINE). In addition, new terms are constantly coined as the relationships linking new genes, drugs, proteins etc. As the size of biomedical literature is expanding, more systems are applying a variety of methods to automate the process of knowledge acquisition and management. In my talk, I focus on the project, GENIA, of our group at the University of Tokyo, the objective of which is to construct an information extraction system of protein - protein interaction from abstracts of MEDLINE. The talk includes (1) Techniques we use fDr named entity recognition (1-a) SOHMM (Self-organized HMM) (1-b) Maximum Entropy Model (1-c) Lexicon-based Recognizer (2) Treatment of term variants and acronym finders (3) Event extraction using a full parser (4) Linguistic resources for text mining (GENIA corpus) (4-a) Semantic Tags (4-b) Structural Annotations (4-c) Co-reference tags (4-d) GENIA ontology I will also talk about possible extension of our work that links the findings of molecular biology with clinical findings, and claim that textual based or conceptual based biology would be a viable alternative to system biology that tends to emphasize the role of simulation models in bioinformatics.

• BMB Reports
• /
• 제37권1호
• /
• pp.83-92
• /
• 2004

As a result of the enormous amount of information that has been collected with E. coli over the past half century (e.g. genome sequence, mutant phenotypes, metabolic and regulatory networks, etc.), we now have detailed knowledge about gene regulation, protein activity, several hundred enzyme reactions, metabolic pathways, macromolecular machines, and regulatory interactions for this model organism. However, understanding how all these processes interact to form a living cell will require further characterization, quantification, data integration, and mathematical modeling, systems biology. No organism can rival E. coli with respect to the amount of available basic information and experimental tractability for the technologies needed for this undertaking. A focused, systematic effort to understand the E. coli cell will accelerate the development of new post-genomic technologies, including both experimental and computational tools. It will also lead to new technologies that will be applicable to other organisms, from microbes to plants, animals, and humans. E. coli is not only the best studied free-living model organism, but is also an extensively used microbe for industrial applications, especially for the production of small molecules of interest. It is an excellent representative of Gram-negative commensal bacteria. E. coli may represent a perfect model organism for systems biology that is aimed at elucidating both its free-living and commensal life-styles, which should open the door to whole-cell modeling and simulation.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
• /
• pp.645-645
• /
• 2013

Applying a first-principles computational approach combining density-functional theory and matrix Green's function calculations, we have studied the effects [2+2] cycloaddition olligormerization of fullerene $C_{60}$ chains on their junction charge transport properties. Analyzing first the microscopic mechanism of the switching realized in recent scanning tunneling microscope (STM) experiments, we found that, in agreement with experimental conclusions, the device characteristics are not significantly affected by the changes in electronic structure of $C_{60}$ chains. It is further predicted that the switching characteristics will sensitively depend on the STM tip metal species and the associated energy level bending direction in the $C_{60}-STM$ tip vacuum gap. Considering infinite $C_{60}$ chains, however, we confirm that unbound $C_{60}$ chains with strong orbital hybridizations and band formation should in principle induce a much higher conductance state. We demonstrate that a nanoelectromechanical approach in which the $C_{60}-STM$ tip distance is maintained at short distances can achieve a metal-independent and drastically improved switching performance based on the intrinsically better electronic connectivity in the bound $C_{60}$ chains.

• 대한의용생체공학회:의공학회지
• /
• 제28권3호
• /
• pp.377-386
• /
• 2007

Mechanical loading to bone cells using simple sine wave or constant wave fluid flow has been widely used for in vitro experiments. Human gait is characterized by a complex loading to bones of lower extremities which results from a series of events consisting of heel strike, foot flat and push-off during the stance phase of the gait cycle. Telemetric force analyses have shown that human femora are subject to multiphasic loading. Therefore, it would be ideal if the physiologic loading conditions during human walking can be used for in vitro mechanotransduction studies. Here, for a mechanotransduction study, we develop it fluid flow system (FFS) in order to simulate human physiologic mechanicalloading on bone cells. The development methods of the FFS including the COR (Center for Orthopedic Research), monitor program are presented. The FFS could generate various multiphasic loading conditions of human gaits with output flow. Wall shear distribution was very uniform, with 81 % of the effective loading area of the culture on a glass slide. Our results demonstrated that the FFS, provide a new translational approach for unveiling molecular mechanotransduction pathways in bone cells.

• 한국전기전자재료학회논문지
• /
• 제19권2호
• /
• pp.116-125
• /
• 2006

We have presented a nanoelectromechanical (NEM) model based on atomistic simulations. Our models were applied to a NEM device as called a nanotube random access memory (NRAM) operated by an atomistic capacitive model including a tunneling current model. We have performed both static and dynamic analyses of a NRAM device. The turn-on voltage obtained from molecular dynamics simulations was less than the half of the turn-on voltage obtained from the static simulation. Since the suspended carbon nanotube (CNT) oscillated with the amplitude for the oscillation center under an externally applied force, the quantity of the CNT-gold interaction in the static analysis was different from that in the dynamic analysis. When the gate bias was applied, the oscillation centers obtained from the static analysis were different from those obtained from the dynamics analysis. Therefore, for the range of the potential difference that the CNT-gold interaction effects in the static analysis were negligible, the vibrations of the CNT in the dynamics analysis significantly affected the CNT-gold interaction energy and the turn-on voltage. The turn-on voltage and the tunneling resistance obtained from our tunneling current model were in good agreement with previous experimental and theoretical works.