• Title/Summary/Keyword: Magnetic orbital

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Electronic state calculation of ceramics by $DV-X\;{\alpha}$ cluster method

  • Adachi, Hirohiko
    • Proceedings of the Materials Research Society of Korea Conference
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    • 1994.11a
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    • pp.1-1
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    • 1994
  • ;The electronic state calculations for various types of ceramic materials have beell performed by the use of $DV-X\;{\alpha}$ cluster method. The molecular orbital levels and wave functions for model clusters have been computed to study the electronic properties ami chemical bonding of the ceramics. For ${\beta}-sialon(Si_{6-z}Al_zO_zN_{8-z})$ which is a high temperature structural material based on ${\beta}-Si_3N_4$, we have made model cluster calculations to estimate the strength of chemical bonding between atoms by the Mulliken population analysis. It is found that the covalent bonding between Si and N atoms is very strong in pure ${\beta}-Si_3N_4$, but the covalency around solute atom is considerably weakened when Si atom is substituted by AI. This tendency is enhanced by an additional substitution of oxygen atom for N. The result calculated can well explain the experimental data of changes in mechanical properties such as the reductions of Young's modulus and Vickers hardness with increment of z-value in ${\beta}-sialon$. Various model clusters for transition metal oxides which show many interesting physical and chemical properties have also been calculated. High-valent perovskite-type iron oxides EMFe0_3E(M=Ca and Sr) possess very interesting magnetic and chemical properties. In these oxides, iron exists as $Fe^{4+}$ state, but the experimental measurement of Mossba~er effect suggests that disproportionation $2Fe^{4+}=Fe^{3+}+Fe^{5+}$ takes place for $CaFe0_3$ at low temperatures. The model cluster calculations for these compounds indicated the existence of considerably strong covalent bonding of Fe-O. The calculations of hyperfine interaction at iron neucleus show very good agreement with the experimental Mossbauer measurements. The result calculated also implies that the disproportionation reaction is strongly possible by assuming the quenching of breathing phonon mode at low temperatures.tures.

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Analysis of Brain Activation due to Mouth Shape during Grip Movement (잡기동작 수행 시 입모양에 따른 뇌활성화 분석)

  • Shim, Je-Myung;Kim, Hwan-Hee;Kim, Chung-Sun
    • Journal of the Korean Society of Physical Medicine
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    • v.5 no.3
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    • pp.467-476
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    • 2010
  • Purpose : This study was performed to understand the relationship between hand and mouth shapes using functional magnetic resonance imaging(fMRI). Methods : Two healthy volunteers without any previous history of physical or neurological illness were recruited. fMRI was done that volunteers was 6 repeated of natural mouth, close mouth and open mouth while power grip and pinch grip movement. Results : Cerebral cortex activation was not well observed for the natural mouth during the power grip exercise. For the closed mouth, the temporal lobe, Broca's area, the prefrontal area related to thinking and judgment, the supplementary motor area, the auditory area and Wernicke's area were activated. For the open mouth, cortical activation was also observed in the temporal lobe, Wernicke's area, the prefrontal area related to thinking and the orbital frontal area related to visual sense. During the pinch grip exercise, cortical activation was observed for the natural mouth in the primary sensory area, Wernicke's area, the primary and supplementary motor area, and the prefrontal area. For the closed mouth, cortical activation was observed in the temporal lobe, Wernicke's area, the prefrontal area related to thinking, the secondary visual area, the primary sensory area and the supplementary motor area. In the case of the open mouth, cortical activation was observed in a few parts in the temporal lobe as well as Wernicke's area, the prefrontal area related to thinking, and other areas related to visual sense such as the primary visual area, the secondary visual area and the visual association area. Conclusion : Brain was more activation for close mouth and open mouth more than natural mouth movement.

Structural Studies on Conjugated Oximes (II). Nuclear Magnetic Resonance spectral Analysis on the Configuration and Hydrogen Bond of cis-2-Butenedialdioxime in Solutions (Conjugated Oxime의 立體構造에 關한 硏究 (第2報). NMR에 依한 cis-2-Butenedialdioxime의 Configuration 및 水素結合에 對한 考察)

  • Hong Young-Suek;Lee Hak-Ki
    • Journal of the Korean Chemical Society
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    • v.19 no.4
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    • pp.233-239
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    • 1975
  • The configuration of two oxime groups in cis-2-butenedialdioxime, unsymmetrical compound conjugated by three double bonds, is determined by a NMR study on the effects of the solvent, temperature and concentration; it is certain that, in solutions of usual conditions, the configuration exists as only "syn-syn". And the relative strengths of the hydrogen bond between these oxime groups and several solvents are compared and somc effects of the temperature and concentration are also considered. The several models of hydrogen bond between oxime and solvents are proposed; especially it is to be noted here that the hydrogen bond in pyridine solvent is not resulted from the interaction between a lone electron pair on nitrogen atom of pyridine and the hydroxyl proton of oxime, but the result of $\pi$-complex formed between the $\pi$-orbital of pyridine and the hydroxyl proton of the solute.

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Molecular approach to hexagonal and cubic diamond nanocrystals

  • Abdulsattar, Mudar Ahmed
    • Carbon letters
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    • v.16 no.3
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    • pp.192-197
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    • 2015
  • In the present work, we propose a molecule (C14H14) that can be used as a building block of hexagonal diamond-type crystals and nanocrystals, including wurtzite structures. This molecule and its combined blocks are similar to diamondoid molecules that are used as building blocks of cubic diamond crystals and nanocrystals. The hexagonal part of this molecule is included in the C12 central part of this molecule. This part can be repeated to increase the ratio of hexagonal to cubic diamond and other structures. The calculated energy gap of these molecules (called hereafter wurtzoids) shows the expected trend of gaps that are less than that of cubic diamondoid structures. The calculated binding energy per atom shows that wurtzoids are tighter structures than diamondoids. Distribution of angles and bonds manifest the main differences between hexagonal and cubic diamond-type structures. Charge transfer, infrared, nuclear magnetic resonance and ultraviolet-visible spectra are investigated to identify the main spectroscopic differences between hexagonal and cubic structures at the molecular and nanoscale. Natural bond orbital population analysis shows that the bonding of the present wurtzoids and diamondoids differs from ideal sp3 bonding. The bonding for carbon valence orbitals is in the range (2s0.982p3.213p0.02)-(2s0.942p3.313p0.02) for wurtzoid and (2s0.932p3.293p0.01)-(2s0.992p3.443p0.01) for diamantane.

Relapsed plasmacytoma in central nervous system after complete remission of extramedullary plasmacytoma (완전관해 후 중추신경계에 재발한 골수외 형질세포종)

  • Kang, Sun Mi;Kim, Seong Gyu;Seo, Ji Ho;Kim, Ji Yoon;Sung, Woo Jung;Bae, Sung Hwa;Ryoo, Hun Mo
    • Journal of Yeungnam Medical Science
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    • v.31 no.1
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    • pp.43-47
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    • 2014
  • Extramedullary plasmacytoma (EMP) is a rare disease that occurs in 3% to 5% of patients with plasma cell disorder. It occurs most commonly in the upper respiratory tract and the oral cavity. Very few EMP cases have been reported in the central nervous system (CNS). We report herein an unusual case of EMP in the nasal cavity that recurred in the CNS without systemic involvement. A 67-year-old man visited our hospital due to a month-long bout with exophthalmos. He was diagnosed with EMP in the nasal cavity, paranasal sinus, and orbital cavity. He received radiotherapy to which he had complete responses. After 2 years, he visited our hospital because of a month-long headache. He was diagnosed with EMP recurrence in the CNS via brain magnetic resonance imaging and cerebrospinal fluid analysis. He was treated with whole brain radiotherapy and intrathecal chemotherapy with methotrexate, but he expired due to pneumonia.

Anterior Cranial Base Reconstruction with a Reverse Temporalis Muscle Flap and Calvarial Bone Graft

  • Kwon, Seung Gee;Kim, Yong Oock;Rah, Dong Kyun
    • Archives of Plastic Surgery
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    • v.39 no.4
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    • pp.345-351
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    • 2012
  • Background Cranial base defects are challenging to reconstruct without serious complications. Although free tissue transfer has been used widely and efficiently, it still has the limitation of requiring a long operation time along with the burden of microanastomosis and donor site morbidity. We propose using a reverse temporalis muscle flap and calvarial bone graft as an alternative option to a free flap for anterior cranial base reconstruction. Methods Between April 2009 and February 2012, cranial base reconstructions using an autologous calvarial split bone graft combined with a reverse temporalis muscle flap were performed in five patients. Medical records were retrospectively analyzed and postoperative computed tomography scans, magnetic resonance imaging, and angiography findings were examined to evaluate graft survival and flap viability. Results The mean follow-up period was 11.8 months and the mean operation time for reconstruction was $8.4{\pm}3.36$ hours. The defects involved the anterior cranial base, including the orbital roof and the frontal and ethmoidal sinus. All reconstructions were successful. Viable flap vascularity and bone survival were observed. There were no serious complications except for acceptable donor site depressions, which were easily corrected with minor procedures. Conclusions The reverse temporalis muscle flap could provide sufficient bulkiness to fill dead space and sufficient vascularity to endure infection. The calvarial bone graft provides a rigid framework, which is critical for maintaining the cranial base structure. Combined anterior cranial base reconstruction with a reverse temporalis muscle flap and calvarial bone graft could be a viable alternative to free tissue transfer.

A Case of Cerebrospinal Fluid Leakage Repair with Forearm Free Flap after Craniofacial Resection of Sinonasal Undifferentiated Carcinoma (비부비동 미분화암의 두개안면절제술 후 전완부자유피판을 이용한 뇌 척수액 유출 폐쇄 시행 1례)

  • Song, Kee Jae;Cho, Jin Mo;Jung, Woon-Yong;Kim, Hoon;Hong, Hyun Jun
    • Korean Journal of Head & Neck Oncology
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    • v.32 no.2
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    • pp.91-94
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    • 2016
  • A 37 year-old male presented with sudden right proptosis and bilateral nasal obstruction. A huge tumor was noted in bilateral nasal cavities, ethmoid sinuses and central frontal sinus on magnetic resonance imaging. Right posterior frontal sinus wall and bilateral medial orbital wall was destructed by the tumor. Complete resection of the tumor was performed via minimal invasive craniofacial resection. Histopaghologic examination revealed sinonasal undifferentiated carcinoma (SNUC). Cerebrospinal fluid leakage was developed after 2 days of the surgery. On the 5th day, anterior skull base was reconstructed with forearm free flap (FFF). The patient got 6000cGy of radiotherapy and survived in 27 months of follow up.

Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems

  • Yamaguchi, Y.;Nakano, M.;Nagao, H.;Okumura, M.;Yamanaka, S.;Kawakami, T.;Yamaki, D.;Nishino, M.;Shigeta, Y.;Kitagawa, Y.;Takano, Y.;Takahata, M.;Takeda, R.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.864-880
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    • 2003
  • A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

WZ Cephei: A Dynamically Active W UMa-Type Binary Star

  • Jeong, Jang-Hae;Kim, Chun-Hwey
    • Journal of Astronomy and Space Sciences
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    • v.28 no.3
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    • pp.163-172
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    • 2011
  • An intensive analysis of 185 timings of WZ Cep, including our new three timings, was made to understand the dynamical picture of this active W UMa-type binary. It was found that the orbital period of the system has complexly varied in two cyclical components superposed on a secularly downward parabola over about 80y. The downward parabola, corresponding to a secular period decrease of $-9.{^d}97{\times}10^{-8}y^{-1}$, is most probably produced by the action of both angular momentum loss (AML) due to magnetic braking and mass-transfer from the massive primary component to the secondary. The period decrease rate of $-6.^{d}72{\times}10^{-8}y^{-1}$ due to AML contributes about 67% to the observed period decrease. The mass flow of about $5.16{\times}10^{-8}M_{\odot}y^{-1}$ from the primary to the secondary results the remaining 33% period decrease. Two cyclical components have an $11.^{y}8$ period with amplitude of $0.^{d}0054$ and a $41.^{y}3$ period with amplitude of $0.^{d}0178$. It is very interesting that there seems to be exactly in a commensurable 7:2 relation between their mean motions. As the possible causes, two rival interpretations (i.e., light-time effects (LTE) by additional bodies and the Applegate model) were considered. In the LTE interpretation, the minimum masses of $0.30M_{\odot}$ for the shorter period and $0.49M_{\odot}$ for the longer one were calculated. Their contributions to the total light were at most within 2%, if they were assumed to be main-sequence stars. If the LTE explanation is true for the WZ Cep system, the 7:2 relation found between their mean motions would be interpreted as a stable 7:2 orbit resonance produced by a long-term gravitational interaction between two tertiary bodies. In the Applegate model interpretation, the deduced model parameters indicate that the mechanism could work only in the primary star for both of the two period modulations, but could not in the secondary. However, we couldn't find any meaningful relation between the light variation and the period variability from the historical light curve data. At present, we prefer the interpretation of the mechanical perturbation from the third and fourth stars as the possible cause of two cycling period changes.

LATEST RESULTS OF THE MAXI MISSION

  • MIHARA, TATEHIRO
    • Publications of The Korean Astronomical Society
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    • v.30 no.2
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    • pp.559-563
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    • 2015
  • Monitor of All-sky X-ray Image (MAXI) is a Japanese X-ray all-sky surveyer mounted on the International Space Station (ISS). It has been scanning the whole sky since 2009 during every 92-minute ISS rotation. X-ray transients are quickly found by the real-time nova-search program. As a result, MAXI has issued 133 Astronomer's Telegrams and 44 Gamma-ray burst Coordinated Networks so far. MAXI has discovered six new black holes (BH) in 4.5 years. Long-term behaviors of the MAXI BHs can be classified into two types by their outbursts; a fast-rise exponential-decay type and a fast-rise flat-top one. The slit camera is suitable for accumulating data over a long time. MAXI issued a 37-month catalog containing 500 sources above a ~0.6 mCrab detection limit at 4-10 keV in the region ${\mid}{b}{\mid}$ > $10^{\circ}$. The SSC instrument utilizing an X-ray CCD has detected diffuse soft X-rays extending over a large solid angle, such as the Cygnus super bubble. MAXI/SSC has also detcted a Ne emission line from the rapid soft X-ray nova MAXI J0158-744. The overall shapes of outbursts in Be X-ray binaries (BeXRB) are precisely observed with MAXI/GSC. BeXRB have two kinds of outbursts, a normal outburst and a giant one. The peak dates of the subsequent giant outbursts of A0535+26 repeated with a different period than the orbital one. The Be stellar disk is considered to either have a precession motion or a distorted shape. The long-term behaviors of low-mass X-ray binaries (LMXB) containing weakly magnetized neutron stars are investigated. Transient LMXBs (Aql X-1 and 4U 1608-52) repeated outbursts every 200-1000 days, which is understood by the limit-cycle of hydrogen ionization states in the outer accretion disk. A third state (very dim state) in Aql X-1 and 4U 1608-52 was interpreted as the propeller effect in the unified picture of LMXB. Cir X-1 is a peculiar source in the sense that its long-term behavior is not like typical LMXBs. The luminosity sometimes decreases suddenly at periastron. It might be explained by the stripping of the outer accretion disk by a clumpy stellar wind. MAXI observed 64 large flares from 22 active stars (RS CVns, dMe stars, Argol types, young stellar objects) over 4 years. The total energies are $10^{34}-10^{36}$ erg $s^{-1}$. Since MAXI can measure the spectrum (temperature and emission measure), we can estimate the size of the plasma and the magnetic fields. The size sometimes exceeds the size of the star. The magnetic field is in the range of 10-100 gauss, which is a typical value for solar flares.