• Title/Summary/Keyword: Dipolar

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The NMR Chemical Shift for 4d$^n$ Systems(Ⅲ). Calculation of the NMR Shift for a 4d$^1$ System in a Strong Crystal Field Enviroment of Tetragonal Symmetry

  • Ahn, Sang-Woon;Park, Eui-Suh;Oh, Se-Woung
    • Bulletin of the Korean Chemical Society
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    • v.5 no.2
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    • pp.55-60
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    • 1984
  • The NMR shift arising from the electron angular momentum and electron spin dipolar-nuclear spin angular momentum interactions has been investigated for a $4d^1$system in a strong crystal field environment of tetragonal symmetry. A general formula for NMR shift is used to compute the NMR shifts along the (100), (010), (001), (110) and (111) axes. We find that from the computed results, the NMR shift along the (100) and (010) axes is consistent with each other in a strong crystal field environment of tetragonal symmetry, but the NMR shift along the (001) axis is about triply greater in magnitude than those along the (100) and (010) axes and is opposite in sign to those along (100) and (010) axes. In this work, we express the expansion coefficients $a_1^{(i)}$ and $b_1^{(i)}$ of $A_i$ and $B_i$ in terms of $g_m^{(i)}$ and $h_m^{(i)}$ and two matrices $c_{lm}$ and $d_{lm}$ of radial dependence. The NMR shift is also separated into the contributions of multipolar terms. We find that $1/R^3$ term contributes dominantly to the NMR shift along the (100), (010), (001) and (110) axes while along the (111) axis $1/R^5$ term dominantly contributes. However, the contribtions of the other terms may not be negligible.

Fabrication of Fe Nanodot Using AAO Prepatterned by Laser Interference Lithography (레이저 간섭 석판술로 전처리된 AAO을 이용한 Fe 나노점 제작)

  • Hwang, H.M.;Kang, J.H.;Lee, S.G.;Lee, J.
    • Journal of the Korean Magnetics Society
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    • v.17 no.3
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    • pp.137-140
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    • 2007
  • The ordering of nanopores in AAO has been improved by using laser interference lithography. After growing Fe and Cu on this substrate in vacuum and removing AAO, Fe nanodots are fabricated. The nanopores in AAO and nanodots are ordered in one dimension following the prepatterning. It has been confirmed from the magnetic hysteresis loop that the Fe nanodots have vortex structure and the dipolar interaction is dominant among them.

NMR Chemical Shift for 4d$^n$System (Ⅳ). Calculation of NMR Chemical Shift for 4d$^2$ System in a Strong Crystal Field Environment of Octahedral Symmetry

  • Ahn, Sang-Woon;Oh, Se-Woong;Yang, Jae-Hyun
    • Bulletin of the Korean Chemical Society
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    • v.6 no.5
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    • pp.255-259
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    • 1985
  • The NMR chemical shift arising from 4d electron orbital angular momentum and 4d electron spin dipolar-nuclear Spin angular momentum interactions for a $4d^2$ system in a strong crystal field environment of octahedral symmetry has been investigated when the four fold axis is taken as the quantization axis. The NMR results are comparted with the multipolar shift at various R-values and we find that the exact results are in agreement with the multipolar shift when $R{\geqslant}0.20 nm.$ We also separate the NMR shift into the contribution of the $1/R^5$ and $1/R^7$ terms. It is found that the contribution of the $1/R^5$term to the NMR shift is dominant than the contribution of the $1/R^7$ term. Temperature dependence analysis shows that the $1/T^2$ term is the dominant contribution to the NMR shift for a $4d^2$ system but the contribution of the 1/T term may not negligible. The similar results are obtained for a $4d^1$ system from the temperature dependence analysis.

Evaluations of Spectral Analysis of in vitro 2D-COSY and 2D-NOESY on Human Brain Metabolites (인체 뇌 대사물질에서의 In vitro 2D-COSY와 2D-NOESY 스펙트럼 분석 평가)

  • Choe, Bo-Young;Woo, Dong-Cheol;Kim, Sang-Young;Choi, Chi-Bong;Lee, Sung-Im;Kim, Eun-Hee;Hong, Kwan-Soo;Jeon, Young-Ho;Cheong, Chae-Joon;Kim, Sang-Soo;Lim, Hyang-Sook
    • Investigative Magnetic Resonance Imaging
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    • v.12 no.1
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    • pp.8-19
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    • 2008
  • Purpose : To investigate the 3-bond and spatial connectivity of human brain metabolites by scalar coupling and dipolar nuclear Overhauser effect/enhancement (NOE) interaction through 2D- correlation spectroscopy (COSY) and 2D- NOE spectroscopy (NOESY) techniques. Materials and Methods : All 2D experiments were performed on Bruker Avance 500 (11.8 T) with the zshield gradient triple resonance cryoprobe at 298 K. Human brain metabolites were prepared with 10% $D_2O$. Two-dimensional spectra with 2048 data points contains 320 free induction decay (FID) averaging. Repetition delay was 2 sec. The Top Spin 2.0 software was used for post-processing. Total 7 metabolites such as N-acetyl aspartate (NAA), creatine (Cr), choline (Cho), lutamine (Gln), glutamate (Glu), myo-inositol (Ins), and lactate (Lac) were included for major target metabolites. Results : Symmetrical 2D-COSY and 2D-NOESY pectra were successfully acquired: COSY cross peaks were observed in the only 1.0-4.5 ppm, however, NOESY cross peaks were observed in the 1.0-4.5 ppm and 7.9 ppm. From the result of the 2-D COSY data, cross peaks between the methyl protons ($CH_3$(3)) at 1.33 ppm and methine proton (CH(2)) at 4.11 ppm were observed in Lac. Cross peaks between the methylene protons (CH2(3,$H{\alpha}$)) at 2.50ppm and methylene protons ($CH_2$,(3,$H_B$)) at 2.70 ppm were observed in NAA. Cross peaks between the methine proton (CH(5)) at 3.27 ppm and the methine proton (CH(4,6)) at 3.59 ppm, between the methine proton (CH(1,3)) at 3.53 ppm and methine proton (CH(4,6)) at 3.59 ppm, and between the methine proton (CH(1,3)) at 3.53 ppm and methine proton (CH(2)) at 4.05 ppm were observed in Ins. From the result of 2-D NOESY data, cross peaks between the NH proton at 8.00 ppm and methyl protons ($CH_3$) were observed in NAA. Cross peaks between the methyl protons ($CH_3$(3)) at 1.33 ppm and methine proton (CH(2)) at 4.11 ppm were observed in Lac. Cross peaks between the methyl protons (CH3) at 3.03 ppm and methylene protons (CH2) at 3.93 ppm were observed in Cr. Cross peaks between the methylene protons ($CH_2$(3)) at 2.11 ppm and methylene protons ($CH_2$(4)) at 2.35 ppm, and between the methylene protons($CH_2$ (3)) at 2.11 ppm and methine proton (CH(2)) at 3.76 ppm were observed in Glu. Cross peaks between the methylene protons (CH2 (3)) at 2.14 ppm and methine proton (CH(2)) at 3.79 ppm were observed in Gln. Cross peaks between the methine proton (CH(5)) at 3.27 ppm and the methine proton (CH(4,6)) at 3.59 ppm, and between the methine proton (CH(1,3)) at 3.53 ppm and methine proton (CH(2)) at 4.05 ppm were observed in Ins. Conclusion : The present study demonstrated that in vitro 2D-COSY and NOESY represented the 3-bond and spatial connectivity of human brain metabolites by scalar coupling and dipolar NOE interaction. This study could aid in better understanding the interactions between human brain metabolites in vivo 2DCOSY study.

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An ICA-Based Subspace Scanning Algorithm to Enhance Spatial Resolution of EEG/MEG Source Localization (뇌파/뇌자도 전류원 국지화의 공간분해능 향상을 위한 독립성분분석 기반의 부분공간 탐색 알고리즘)

  • Jung, Young-Jin;Kwon, Ki-Woon;Im, Chang-Hwan
    • Journal of Biomedical Engineering Research
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    • v.31 no.6
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    • pp.456-463
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    • 2010
  • In the present study, we proposed a new subspace scanning algorithm to enhance the spatial resolution of electroencephalography (EEG) and magnetoencephalography(MEG) source localization. Subspace scanning algorithms, represented by the multiple signal classification (MUSIC) algorithm and the first principal vector (FINE) algorithm, have been widely used to localize asynchronous multiple dipolar sources in human cerebral cortex. The conventional MUSIC algorithm used principal component analysis (PCA) to extract the noise vector subspace, thereby having difficulty in discriminating two or more closely-spaced cortical sources. The FINE algorithm addressed the problem by using only a part of the noise vector subspace, but there was no golden rule to determine the number of noise vectors. In the present work, we estimated a non-orthogonal signal vector set using independent component analysis (ICA) instead of using PCA and performed the source scanning process in the signal vector subspace, not in the noise vector subspace. Realistic 2D and 3D computer simulations, which compared the spatial resolutions of various algorithms under different noise levels, showed that the proposed ICA-MUSIC algorithm has the highest spatial resolution, suggesting that it can be a useful tool for practical EEG/MEG source localization.

Studies on the Synthesis of 1-Hydroxycarbapenems (1-히드록시카르바페넴의 합성에 관한 연구)

  • You, Jong Hyeon;Park, Jeong Ho;Goo, Yang Mo;Lee, Yun Yeong
    • Journal of the Korean Chemical Society
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    • v.42 no.1
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    • pp.69-77
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    • 1998
  • (3S,4S)-1-(t-Butoxycarbonylmethyl)-3-[(S)-1-(t-butyldimethylsilyloxy)ethyl]-4-(2-diazo-2-ethoxycarbonyl-1-oxoethyl)-2-azetidinone (14) was prepared from 4-styryl-2-azetidinone 7b via a sequence of reactions involving N-alkylation with bromoacetate, ozonolysis, oxidation, condensation with magnesium ethyl malonate, and diazo transfer reaction. (3S,4S)-3-[(S)-1-(t-Butyldimethylsilyloxy)ethyl]-4-(3-diazo-3-ethoxycarbonyl1-hydroxypropyl)-2-azetidinone (21) was also prepared from 4-formyl-2-azetidinone 5b via a sequence of reactions involving Wittig reaction, 1,3-dipolar cycloaddition with ethoxycarbonylformonitrile oxide, catalytic hydrogenation, and diazotization. However, the final cyclization of 14 or 21 to 1-hydroxycarbapenem or 1-hydroxycarbapenam by treating with $Rh_2(OAc)_4$ was unsuccessful.

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Synthesis and Characteristic of Novel Soluble Triazoleimide Oligomers with Terminated Arylacetylene

  • Zhou, Xiao'an;Du, Lei;Wan, Liqiang;Wang, Xiaofei;E, Yanpeng;Huang, Farong
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2603-2606
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    • 2010
  • Novel soluble triazoleimide oligomers terminated with arylacetylene terminated were synthesized by the Cu(I)-catalysed 1,3-dipolar cycloaddition polymerization of diazides and imide-containing dialkyne. Several molecular weight triazoleimide oligomers were prepared from diazide and dialkyne monomers with different stoichiometric combinations. The curing behaviors of the oligomers were tested by differential scanning calorimetry (DSC). The thermal properties of the cured products were evaluated by DSC and thermogravimetric analysis (TGA). These cured oligomers showed the glass transition temperature of about $225-235^{\circ}C$ and the decomposition temperature (at 5% weight loss) of about $385-393^{\circ}C$ in nitrogen.

Interlayer and Interfacial Exchange Coupling of IrMn Based MTJ

  • Wrona, J.;Stobiecki, T.;Czapkiewicz, M.;Kanak, J.;Rak, R.;Tsunoda, M.;Takahashi, M.
    • Journal of Magnetics
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    • v.9 no.2
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    • pp.52-59
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    • 2004
  • As deposited and annealed MTJs with the structure of $Ta(5 nm)/Cu(10 nm)/Ta(5 nm)/Ni_{80}Fe_{20}(2 nm)/Cu(5 nm)/ Ir_{25}Mn_{75}(10 nm)/Co_{70}Fe_{30}(2.5 nm)/Al-O/Co_{70}Fe_{30}(2.5nm)/Ni_{80}Fe_{20}(t)/Ta(5nm)/Ni_{80}Fe_{20}(t)/Ta(5 nm)$, where t=10, 30, 60 and 100 nm were characterized by XRD and magnetic hysteresis loops measurements. The XRD measurements were done in grazing incidence $(GID scan-2{\theta})$ and ${\theta}-2{\theta}$ geometry, by rocking curve $(scan-{\omega})$ and pole figures in order to establish correlation between texture and crystallites size and magnetic parameters of exchange biased and interlayer coupling. The variations of shifting and coercivity field of free and pinned layers after annealing in $300^{\circ}C$ correlate with the improvement of [111] texture and grains size of $Ni_{80}Fe_{20}$ and $Ir_{25}Mn_{75}$ respectively. The exchange biased and the coercivity fields of the pinned layer linearly increased with increasing grain size of $Ir_{25}Mn_{75}$, The reciprocal proportionality between interlayer coupling and coercivity fields of the free layer and grain size of $Ni_{80}Fe_{20}$ was found. The enhancement of interlayer coupling between pinned and free layers, after annealing treatment, indicates on the correlated in-phase roughness of dipolar interacting interfaces due to increase of crystallites size of $Ni_{80}Fe_{20}$.

Nucleophilic Displacement at Sulfur Center (XVII). Solvolysis of 2-Anthracenesulfonyl Chloride (황의 친핵성 치환반응 (제17보) 2-염화안트라센 술포닐의 가용매 분해반응)

  • Hyong Tae Kim;Soo Dong Yoh;Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.27 no.3
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    • pp.167-177
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    • 1983
  • The kinetics of 2-anthracenesulfonyl chloride in methanol-water, ethanol-water, acetone-water and acetonitrile-water has been studied by electroconductometric method. For media in which water has the same mole fraction, the rate was greater in protic solvent than in dipolar aprotic solvent and it was greater consistently in methanol-water than in ethanol-water over the whole range of solvent composition investigated, while the two rates in acetone-water and acetonitrile-water inverted at about 0.9 of mole fraction of water. Both m value, susceptibility of rate to the ionizing power and n value, solvent participation number in the transition state were much smaller in protic solvent. These values and the activation parameters show that solvolysis of 2-anthracenesulfonyl chloride proceeds by $ S_N2$ mechanism.

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Electrical Properties of the Amorphous BaTi4O9 Thin Films for Metal-Insulator-Metal Capacitors (Metal-Insulator-Metal 캐패시터의 응용을 위한 비정질 BaTi4O9 박막의 전기적 특성)

  • Hong, Kyoung-Pyo;Jeong, Young-Hun;Nahm, Sahn;Lee, Hwack-Joo
    • Korean Journal of Materials Research
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    • v.17 no.11
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    • pp.574-579
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    • 2007
  • Amorphous $BaTi_4O_9$ ($BT_4$) film was deposited on Pt/Si substrate by RF magnetron sputter and their dielectric properties and electrical properties are investigated. A cross sectional SEM image and AFM image of the surface of the amorphous $BT_4$ film deposited at room temperature showed the film was grown well on the substrate. The amorphous $BT_4$ film had a large dielectric constant of 32, which is similar to that of the crystalline $BT_4$ film. The leakage current density of the $BT_4$ film was low and a Poole-Frenkel emission was suggested as the leakage current mechanism. A positive quadratic voltage coefficient of capacitance (VCC) was obtained for the $BT_4$ film with a thickness of <70 nm and it could be due to the free carrier relaxation. However, a negative quadratic VCC was obtained for the films with a thickness ${\geq}96nm$, possibly due to the dipolar relaxation. The 55 nm-thick $BT_4$ film had a high capacitance density of $5.1fF/{\mu}m^2$ with a low leakage current density of $11.6nA/cm^2$ at 2 V. Its quadratic and linear VCCs were $244ppm/V^2$ and -52 ppm/V, respectively, with a low temperature coefficient of capacitance of $961ppm/^{\circ}C$ at 100 kHz. These results confirmed the potential suitability of the amorphous $BT_4$ film for use as a high performance metal-insulator-metal (MIM) capacitor.