• Title/Summary/Keyword: H atoms

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Macrocyclic Complexes of Actinide and Lanthanide Metals (Ⅰ). Formation and Properties of Cation Complexes with Macrocyclic Ligands (악틴 및 란탄족금속의 거대고리 착물 (제 1 보). 거대고리 리간드의 금속착물의 형성과 성질)

  • Jeong, O Jin;Choe, Chil Nam;Yun, Seok Jin;Son, Yeon Su
    • Journal of the Korean Chemical Society
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    • v.34 no.2
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    • pp.143-158
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    • 1990
  • Metal complexes were prepared by reacting uranium (Ⅵ), thorium (Ⅳ) and rare earth metal (Ⅲ) ions including Nd (Ⅲ), Sm (Ⅲ) and Ho (Ⅲ) with macrocyclic ligands including five crown ethers, nine crownands and one cryptand ligands, and subjected to NMR studies in order to examine coordination sites of the ligands and compositions of the complexes formed. Among the marcocyclic ligands, crown ethers and crownand ligands have shown down-field shifts of the methylene protons of the lcigands by forming stable complexes with all the metal ions and the differences of chemical shifts were decreased as increasing of the cavity-size of crown ethers for the same metal ions and decreasing of the atomic number of the rare earth metals for the same ligands. It has been found that crownand 22 gave a stable complex with uranium(Ⅵ) ion by the coordination through both oxygen and nitrogen atoms of the ligand whereas no complex was formed with the rare earth metal(Ⅲ) ions, which on the other hand were found to form stable complexes with cryptand 221. The rest of the crowand ligands have also been found to form stable complexes with uranium(Ⅵ) ion by coordinating through all the oxygen and nitrogen atoms of the ligands whereas no complexes were formed with the rare earth metal(Ⅲ) ions. It has also been shown by 1H-NMR study that uranium(Ⅵ), thorium(Ⅳ) and rare earth metal(Ⅲ) ions formed 1:1 complexes with the macrocyclic ligands except for thorium(Ⅳ) complex of 12C4 in which the mole ratio of metal to ligand is 1:2. More stable metal complexes show larger changes in chemical shifts of the coordinated ligand protons. Finally, the rare earth metal(Ⅲ) complexes of 18C6 have shown ligand exchange reaction with the solvent molecules in acetylacetone solution, which was not observed for the uranium (Ⅵ) complexes.

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Synthesis of Cyclen-Based Copper Complexes as a Potential Estrogen Receptor Ligand (에스트로젠 수용체 리간드로서 사이클렌을 기본 구조로 한 구리 착물의 합성)

  • Park, Jeong-Chan;Pandya, Darpan N.;Jeon, Hak-Rim;Lee, Sang-Woo;Ahn, Byeong-Cheol;Lee, Jae-Tae;Yoo, Jeong-Soo
    • Nuclear Medicine and Molecular Imaging
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    • v.41 no.4
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    • pp.326-334
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    • 2007
  • Purpose: The estrogen receptor (ER), which is over-expressed in ER-positive breast tumors, has been imaged by positron emission tomography (PET) using $[^{18}F]$ labeled estrogen ligands, especially $[^{18}F]FES$. However, $[^{18}F]$ has relatively short-lived half-life ($t_{1/2}$ =1.8 h) and the labeling yield of radio-fluorination is usually low compared with $^{64}Cu\;(t_{1/2}=12.7\;h)$. 1,4,7,10-tetraazacyclododecane (cyclen) is used to form stable metal complexes with copper, indium, gallium, and gadolinium. With these in mind, we prepared cyclen-based Cu complexes which mimic estradiol in aspect of two hydroxyl groups. Materials and Methods: 1.7-Protected cyclen, 1.7-bis (benzyloxycarbonyl)-cyclen was synthesized according to the reported procedure. After introducing two 4-benzyloxybenzyl groups at 4,10-positions, the benzyloxycarbonyl and benzyl groups were removed at the same time by hydrogenation on Pd/C to give 1,7-bis(4-hydroxybenzyl)-1,4,7,10-tetraazacyclododecane (1). Results: The prepared ligand 1 was fully characterized by $^1H,\;^{13}C$ NMR, and mass spectrometer. The synthesized ligand was reacted with copper chloride and copper perchlorate to give copper complexes $[Cu(1)]^{2+}2(CIO_4^-)\;and\;[Cu(1)Cl]^+Cl^-$ which were confirmed by high-resolution mass (FAB). Conclusion: We successfully synthesized a cyclen derivative of which two phenol groups are located on trans position of N-atoms. And, two Cu(ll) complexes of +2 and +1 overall charge, were prepared as a potential PET tracers for ER imaging.

Non-gaseous Plasma Immersion Ion Implantation and Its Applications

  • Han, Seung-Hee;Kim, En-Kyeom;Park, Won-Woong;Moon, Sun-Woo;Kim, Kyung-Hun;Kim, Sung-Min
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.151-151
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    • 2012
  • A new plasma process, i.e., the combination of PIII&D and HIPIMS, was developed to implant non-gaseous ions into materials surface. HIPIMS is a special mode of operation of pulsed-DC magnetron sputtering, in which high pulsed DC power exceeding ~1 kW/$cm^2$ of its peak power density is applied to the magnetron sputtering target while the average power density remains manageable to the cooling capacity of the equipment by using a very small duty ratio of operation. Due to the high peak power density applied to the sputtering target, a large fraction of sputtered atoms is ionized. If the negative high voltage pulse applied to the sample stage in PIII&D system is synchronized with the pulsed plasma of sputtered target material by HIPIMS operation, the implantation of non-gaseous ions can be successfully accomplished. The new process has great advantage that thin film deposition and non-gaseous ion implantation along with in-situ film modification can be achieved in a single plasma chamber. Even broader application areas of PIII&D technology are believed to be envisaged by this newly developed process. In one application of non-gaseous plasma immersion ion implantation, Ge ions were implanted into SiO2 thin film at 60 keV to form Ge quantum dots embedded in SiO2 dielectric material. The crystalline Ge quantum dots were shown to be 5~10 nm in size and well dispersed in SiO2 matrix. In another application, Ag ions were implanted into SS-304 substrate to endow the anti-microbial property of the surface. Yet another bio-application was Mg ion implantation into Ti to improve its osteointegration property for bone implants. Catalyst is another promising application field of nongaseous plasma immersion ion implantation because ion implantation results in atomically dispersed catalytic agents with high surface to volume ratio. Pt ions were implanted into the surface of Al2O3 catalytic supporter and its H2 generation property was measured for DME reforming catalyst. In this talk, a newly developed, non-gaseous plasma immersion ion implantation technique and its applications would be shown and discussed.

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Efficient Mining of Frequent Subgraph with Connectivity Constraint

  • Moon, Hyun-S.;Lee, Kwang-H.;Lee, Do-Heon
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.267-271
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    • 2005
  • The goal of data mining is to extract new and useful knowledge from large scale datasets. As the amount of available data grows explosively, it became vitally important to develop faster data mining algorithms for various types of data. Recently, an interest in developing data mining algorithms that operate on graphs has been increased. Especially, mining frequent patterns from structured data such as graphs has been concerned by many research groups. A graph is a highly adaptable representation scheme that used in many domains including chemistry, bioinformatics and physics. For example, the chemical structure of a given substance can be modelled by an undirected labelled graph in which each node corresponds to an atom and each edge corresponds to a chemical bond between atoms. Internet can also be modelled as a directed graph in which each node corresponds to an web site and each edge corresponds to a hypertext link between web sites. Notably in bioinformatics area, various kinds of newly discovered data such as gene regulation networks or protein interaction networks could be modelled as graphs. There have been a number of attempts to find useful knowledge from these graph structured data. One of the most powerful analysis tool for graph structured data is frequent subgraph analysis. Recurring patterns in graph data can provide incomparable insights into that graph data. However, to find recurring subgraphs is extremely expensive in computational side. At the core of the problem, there are two computationally challenging problems. 1) Subgraph isomorphism and 2) Enumeration of subgraphs. Problems related to the former are subgraph isomorphism problem (Is graph A contains graph B?) and graph isomorphism problem(Are two graphs A and B the same or not?). Even these simplified versions of the subgraph mining problem are known to be NP-complete or Polymorphism-complete and no polynomial time algorithm has been existed so far. The later is also a difficult problem. We should generate all of 2$^n$ subgraphs if there is no constraint where n is the number of vertices of the input graph. In order to find frequent subgraphs from larger graph database, it is essential to give appropriate constraint to the subgraphs to find. Most of the current approaches are focus on the frequencies of a subgraph: the higher the frequency of a graph is, the more attentions should be given to that graph. Recently, several algorithms which use level by level approaches to find frequent subgraphs have been developed. Some of the recently emerging applications suggest that other constraints such as connectivity also could be useful in mining subgraphs : more strongly connected parts of a graph are more informative. If we restrict the set of subgraphs to mine to more strongly connected parts, its computational complexity could be decreased significantly. In this paper, we present an efficient algorithm to mine frequent subgraphs that are more strongly connected. Experimental study shows that the algorithm is scaling to larger graphs which have more than ten thousand vertices.

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Mössbauer Studies of the Magnetic Properties in Ba-ferrite Single Crystal (Ba-Ferrite 단결정의 자기적 특성에 관한 뫼스바우어 분광학적 연구)

  • Sur, J.C.;Gee, S.H.;Hong, Y.K.
    • Journal of the Korean Magnetics Society
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    • v.17 no.2
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    • pp.60-64
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    • 2007
  • Ba-Ferrite single crystals were prepared and characterized by X-ray, SEM and Mossbauer spectroscopy. The single crystal layers was cut in the c-axis and radiated to the surface by ${\gamma}-rays$ for Mossbauer spectroscopy. We found out that the spin states in Fe atoms were parallel to the ${\gamma}-rays$ direction. The temperature dependence of the hyperfine field is almost similar to that of powder samples. The crystal structure is a Magnetoplumbite without any other phases and the lattice parameters are found out with $a_0=5.892{\AA},\;b_0=5.892{\AA},\;c_0=23.198{\AA}$. $M\"{o}ssbauer$ spectrum in single crystal have 5 sets off absorption lines in each Fe site when the ${\gamma}-rays$ have the same radiation direction with the c-axis in the crystal, which mean that the whole crystal bulk formed only one crystal and same spin direction. The hysteresis curve shows the saturation moment and coercive force of 70.71 emu/g and 320 Oe respectively.

Stimulation of Blood Flow Needs a Parallel Magnetic Field and Psycho-physics acupuncture

  • Oh, Hung-Kuk
    • Proceedings of the Korean Society for Emotion and Sensibility Conference
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    • 2000.11a
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    • pp.105-112
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    • 2000
  • The conventional model did not take momentum conservation into consideration when the electron absorbs and emits the photons. II-ray provides momentum conservations on any directions of the entering photons, and also the electrons have radial momentum conservations and fully elastic bouncing between two atoms, in the new atom model. Conventional atom model must be criticized on the following four points. (1) Natural motions between positive and negative entities are not circular motions but linear going and returning ones, fur examples sexual motion, tidal motion, day and night etc. Because the radius of hydrogen atom's electron orbit is the order of 10$^{-11}$ m and the radia of the nucleons in the nucleus are the order of 10$^{-l4}$m and then the converging $\pi$-gamma rays to the nucleus have so great circular momentum, the electron can not have a circular motion. We can say without doubt that any elementary mass particle can have only linear motion, because of the $\pi$-rays' hindrances, near the nucleus. (2) Potential energy generation was neglected when electron changes its orbit from outer one to inner one. The h v is the kinetic energy of the photo-electron. The total energy difference between orbits comprises kinetic and potential energies. (3) The structure of the space must be taken into consideration because the properties of the electron do not change during the transition from outer orbit to inner one even though it produces photon. (4) Total energy conservation law applies to the energy flow between mind and matter because we daily experiences a interconnection between mind and body. Any magnet absorbs n-rays to S pole and sends out the $\pi$-rays from N pole. Proton are constructed with the closed n-rays quantum-mechanically. The crystallizing n-bonding makes two $\pi$-far infrared rays of one wave length between two protons if two $\pi$-rays are supplied to each proton. It is easily done for a $\pi$-ray to be absorbed to a proton if there is a parallel magnetic flow to the blood flow because a $\pi$-ray advances axially under a magnetic field and a proton looks like a sphere. A axially advancing disk-like $\pi$-ray can meet more easily the coming spheres than from the other directions. The blood crystals stimulate the autonomous nerves on the blood vessels during the flow by their mechanical sliding collisions. SM n-ray meridian therapy and SMACN $\pi$-ray meridian therapy show the stimulation of blood flow and also combinational experiment between SM $\pi$-ray meridian therapy and n-ray psycho-physics acupuncture shows more clearly that magnet is forcing to make $\pi$-rays absorbed to the nucleons.s.ons.

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A Critical Note on the Electric Field in Direct and Alternating Current and Its Consciousness

  • Oh, Hung-Kuk
    • Proceedings of the Korean Society for Emotion and Sensibility Conference
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    • 2000.11a
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    • pp.98-104
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    • 2000
  • The conventional model did not take momentum conservation into consideration when the electron absorbs and emits the photons. II-ray provides momentum conservations on any directions of the entering photons, and also the electrons have radial momentum conservations and fully elastic bouncing between two atoms, in the new atom model. Conventional atom model must be criticized on the following four points. (1) Natural motions between positive and negative entities are not circular motions but linear going and returning ones, for examples sexual motion, tidal motion, day and night etc. Because the radius of hydrogen atom's electron orbit is the order of 10$^{-11}$ m and the radia of the nucleons in the nucleus are the order of 10$^{-14}$ m and then the converging $\pi$-gamma rays to the nucleus have so great circular momentum, the electron can not have a circular motion. We can say without doubt that any elementary mass particle can have only linear motion, because of the $\pi$-rays'hindrances, nearthenucleus. (2) Potential energy generation was neglected when electron changes its orbit from outer one to inner one. The h v is the kinetic energy of the photo-electron. The total energy difference between orbits comprises kinetic and potential energies. (3) The structure of the space must be taken into consideration because the properties of the electron do not change during the transition from outer orbit to inner one even though it produces photon. (4) Total energy conservation law applies to the energy flow between mind and matter because we daily experiences a interconnection between mind and body. Conventional Concept of Electric Field must be extended in the case of the direct and alternating current. Conventional concept is based on coulomb's force while the electric potential in the direct and alternating current is from Gibb's free energy. And also conventional concept has not any consciousness with human being but the latters has a conscious sensibility. The cell emf is from the kinetic energy of the open $\pi$-rays flow through the conducting wire. The electric potential in alternating current is from that the trans-orbital moving of the induced change of magnetic field in the wire produces flows of open $\pi$-rays, which push the rotating electrons on the orbital and then make the current flow. Human consciousness can induce a resonance with the sensibility of the open $\pi$-rays in the electric measuring equipment. Specially treated acupunctures with Nasucon is for sending an acupunctural effect from one place to another via space by someone's will power.

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Electrochemical Characteristics of Cr Added Li4Ti5O12 Prepared by Sol-gel Method (졸-겔법으로 합성한 Cr 첨가 Li4Ti5O12의 전기화학적 특성)

  • Kim, Sun-Ah;Cho, Woo-Ram;Jeong, Koo-Hyun;Cho, Byung-Won;Na, Byung-Ki
    • Journal of the Korean Electrochemical Society
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    • v.14 no.1
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    • pp.27-32
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    • 2011
  • The electorchemical properties of $Li_4Ti_5O_{12}$ added with Cr was tested. The addition or substitution of atoms to $Li_4Ti_5O_{12}$ are expected to modify the crystal structure, and therefore to change the electrochemical performances of $Li_4Ti_5O_{12}$. After the spinel structure $Li_4Ti_{5-x}Cr_xO_{12}$ (x = 0~0.2) were obtained via sol-gel method, the gel was heated in a muffle furnace at $800{\sim}850^{\circ}C$ for 12 h in air. The physical properties of the samples were characterized by TG-DTA, XRD, SEM, FT-IR, and the electrochemical properties were tested with battery cycler at 0.01~2.0 V range. The $Li_4Ti_5O_{12}$ exhibited 169.9 mAh/g at 1C and capacity recovery was 97.5% of the initial capacity at 0.1C. $Li_4Ti_{4.9}Cr_{0.1}O_{12}$ (Cr 1% added) showed best performance of 193.8 mAh/g at 1C and the capacity recovery was increased to 98.8% of the initial capacity at 0.1C.

Development of Visible Light Responsive Nitrogen Doped Photocatalysts ($TiO_2$, $Nb_2O_5$) for hydrogen Evolution (수소 생산을 위한 가시광선 감응 질소 도핑 $TiO_2$$Nb_2O_5$ 광촉매의 개발)

  • Choi, Mi-Jin;Chae, Kyu-Jung;Yu, Hye-Weon;Kim, Kyoung-Yeol;Jang, Am;Kim, In-S.
    • Journal of Korean Society of Environmental Engineers
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    • v.33 no.12
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    • pp.907-912
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    • 2011
  • Development of visible light responsive photocatalysts is a promising research area to facilitate utilization of solar energy for hydrogen production via photocatalytic water splitting. In this study two groups of samples, nitrogen (N)-doped niobium pentoxide ($Nb_2O_5$) and titanium dioxide ($TiO_2$) ($Nb_2O_5-N$, $HNb_3O_8-N$, $TiO_2-N$) and N-undoped ones ($Nb_2O_5$ and $TiO_2$) were tested. In order to utilize visible light, nitrogen atoms were doped in selected photocatalysts by using urea. A shift of the absorption edges of the Ndoped samples in the visible light region was observed. Under visible light irradiation, N-doped samples were more prominent photocatalytic activities than the N-undoped samples. Specifically, 99.7% of rhodamine B (RhB) was degraded after 60 minutes of visible light irradiation with $TiO_2-N$. Since $TiO_2-N$ shows the highest activity of RhB degradation, it was supposed to generate the highest current response. However, $HNb_3O_8-N$ showed the highest current response ($63.7mA/cm^2$) than $TiO_2-N$. More interestingly, when we compare the hydrogen production, $Nb_2O_5-N$ produced $19.4{\mu}mol/h$ of hydrogen.

17O Solid-State NMR Study of the Effect of Organic Ligands on Atomic Structure of Amorphous Silica Gel: Implications for Surface Structure of Silica and Its Dehydration Processes in Earth's Crust (유기 리간드와 비정질 실리카겔의 상호 작용에 대한 17O 고상핵자기공명 분광분석 연구: 실리카 표면 구조 및 지각의 탈수반응에 대한 의의)

  • Kim, Hyun Na;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.25 no.4
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    • pp.271-282
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    • 2012
  • We explore the effect of removal of organic ligand on the atomic configurations around oxygen in hydroxyl groups in amorphous silica gel (synthesized through hydrolysis of $SiCl_4$ in diethyl-ether) using high resolution $^{17}O$ solid state NMR spectroscopy. $^1H$ and $^{29}Si$ MAS NMR spectra for amorphous silica gel showed diverse hydrogen environments including water, hydroxyl groups (e.g., hydrogen bonded silanol, isolated silanol), and organic ligands (e.g., alkyl chain) that may interact with surface hydroxyls in the amorphous silica gel, for instance, forming silica-organic ligand complex (e.g., Si-$O{\cdots}R$). These physically and chemically adsorbed organic ligands were partly removed by ultrasonic cleaning under ethanol and distilled water for 1 hour. Whereas $^{17}O$ MAS NMR spectra with short pulse length ($0.175{\mu}s$) at 9.4 T and 14.1 T for as-synthesized amorphous silica gel showed the unresolved peak for Si-O-Si and Si-OH structures, the $^{17}O$ MAS NMR spectra with long pulse length ($2{\mu}s$) showed the additional peak at ~0 ppm. The peak at ~0 ppm may be due to Si-OH structure with very fast relaxation rate as coupled to liquid water molecules or organic ligands on the surface of amorphous silica gel. The observation of the peak at ~0 ppm in $^{17}O$ MAS NMR spectra for amorphous silica gel became more significant as the organic ligands were removed. These results indicate that the organic ligands on the surface of amorphous silica gel interact with oxygen atoms in Si-OH and provide the information about atomic structure of silanol and siloxane in amorphous silica gel. The current results could enhance the understanding of dehydration mechanism of diverse silicates, which is known as atomic scale origins of intermediate depth (approximately, 70~300 km) earthquakes in subduction zone.