• 한국자기공명학회논문지
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• 제9권2호
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• pp.138-154
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• 2005

Vanadium-incorporated aluminophosphate molecular sieve $VO^{2+}-SAPO-5$ was studied by electron spin resonance (ESR) and electron spin echo modulation (ESEM) spectroscopies to determine the vanadium structure and interaction with various adsorbate molecules. It was found that the main species at low concentration of vanadium is a monomeric vanadium units in square pyramidal or distorted octahedral coordination, both in oxidation state (IV) for the calcined hydrated material and in oxidation state (V) for the calcined material. After calcinations in $O_2$ and exposure to moisture, only species A is observed with reduced intensities. It is suggested as a $VO(H_2O)_3^{2+}$ complex coordinated to two framework oxygen bonded aluminum. When calcined, hydrated $VO^{2+}-}SAPO-5$ is dehydrated at elevated temperature, a species loses its water ligands and transforms to $VO^{2+}$ ions coordinated to two framework oxygens (species B). Species B reduces its intensity, significantly after treatment with $O_2\;at\;600^{\circ}C$ for 5 h, thus suggesting oxidation of $V^{4+}\;to\;V^{5+}$. When dehydrated $VO^{2+}-SAPO-5$ contacts with $D_2O$ at room temperature, the EPR signal of species A is observed. Thus species assumed as a $VO^{2+}(O_f)_2(D_2O)_3$, by considering two framework oxygens. Adsorption of deuterated ethanol, propanol on dehydrated $VO^{2+}_{-}SAPO-5$ result in another new vanadium species E and F, respectively, which are identified as a $VO^{2+}-(CH_3CH_2OD)_3,\;VO^{2+}-(CH_3CH_2CH_2OD)_2$ complex. When deuterated benzene is adsorbed on dehydrated $VO^{2+}-SAPO-5$, another new vanadium species G, identified as a $VO^{2+}-(C_6D_6)$ is observed. Possible coordination geometries of these various complexes are discussed.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.129-129
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• 2013

Nanometal alloy catalysts have been found to significantly increase catalytic efficiency, compared to the monometallic counterparts. This enhancement can be attributed to various alloying effects: i) the existence of uniquemixed-metal surface sites [the so called ensemble (geometric) effect]; ii) electronic state changes due to metal-metal interactions [the so called ligand (electronic) effect]; and iii) strain caused by lattice mismatch between the alloy components [the socalled strain effect]. In addition, the presence of low-coordination surface atoms and preferential exposure of specific facets [(111), (100), (110)] in association with the size and shape of nanoparticle catalysts [the so called shape-size-facet effect] can be another important factor for modifying the catalytic activity. However, mechanisms underlying the alloying effect still remain unclear owing to the difficulty of direct characterization. Computational approaches, particularly the prediction using first-principles density functional theory (DFT), can be a powerful and flexible alternative for unraveling the role of alloying effects in catalysis since those can give us quantitative insights into the catalytic systems. In this talk, I will present the underlying principles (such as atomic arrangement, facet, local strain, ligand interaction, and effective atomic coordination number at the surface) that govern catalytic reactions occurring on Pd-based alloys using the first-principles calculations. This work highlights the importance of knowing how to properly tailor the surface reactivity of alloy catalysts for achieving high catalytic performance.

• Bulletin of the Korean Chemical Society
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• 제30권5호
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• pp.1021-1025
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• 2009

A novel supramolecular network containing binuclear copper unit $[Cu(phen)_{2}({\mu}-ID\;A)Cu(phen){\cdot}(NO_{3})](NO_{3}){\cdot}4(H_{2}O)$ (1) was synthesized through the self-assembly of iminodiacetic acid ($H_2IDA$) and 1,10-phenanthroline (phen) in the condition of pH = 6. It has been characterized by the infrared (IR) spectroscopy, elemental analysis, single crystal X-ray diffraction, and thermogravimetric analysis (TGA). 1 shows a 2-D supramolecular structure assembled through strong and unique $\pi-\pi$ packing interactions. Density functional theory (DFT) calculations show that theoretical optimized structures can well reproduce the experimental structure. The TGA and powder X-ray diffraction (PXRD) curves indicate that the complex 1 can maintain the structural integrity even at the loss of free water molecules. The magnetic property is also reported in this paper.

• Bulletin of the Korean Chemical Society
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• 제30권7호
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• pp.1603-1606
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• 2009

A new 1D oxalato bridged compound Ni(en)(ox)-2$H_2$O, (ox = oxalate; en = ethylenediamine) has been hydrothermally synthesized and characterized by single crystal X-ray diffraction, IR spectrum, TG analysis, and magnetic measurements. In the structure the Ni atoms are coordinated with four oxygen atoms in two oxalate ions and two nitrogen atoms in one ethylenediamine molecule. The oxalate anion acts as a bis-bidentate ligand bridging Ni atoms in cis-configuration. This completes the infinite zigzag neutral chain, [Ni(en)(ox)]. The interchain space is filled by water molecules that link the chains through a network of hydrogen bonds. Thermal variance of the magnetic susceptibility shows a broad maximum around 50 K characteristic of one-dimensional antiferromagnetic coupling. The theoretical fit of the data for T > 20 K led to the nearest neighbor spin interaction J = -43 K and g = 2.25. The rapid decrease in susceptibility below 20 K indicate this compound to be a likely Haldane gap candidate material with S = 1.

• The Journal of Korean Physical Therapy
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• 제26권6호
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• pp.386-390
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• 2014

Purpose: We aimed to investigate whether visuomotor function would be modulated, when healthy subjects performed tracking task after tDCS application over the primary sensorimotor cortex (SM1) in the non-dominant hemisphere. Methods: Thirty four right-handed healthy participants were enrolled, who randomly and evenly divided into two groups, real tDCS group and sham control group. Direct current with intensity of 1 mA was delivered over SM1 for 15 minutes. After tDCS, tracking task was measured, and their performance was calculated by an accuracy index (AI). Results: No significant difference in AI at the baseline between the two groups was observed. The AI of the real tDCS group was significantly increased after electrical stimulation, compared to the sham control group. Two way ANOVA with repeated measurement showed a significant finding in a large main effects of time and group-by-repeated test interaction. Conclusion: This study indicated that application of the anodal tDCS over the SM1 could facilitate higher visuomotor coordination, compared to sham tDCS group. These findings suggest possibility that tDCS can be used as adjuvant brain modulator for improvement of motor accuracy in healthy individuals as well as patients with brain injury.

• 기술혁신학회지
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• 제16권1호
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• pp.199-229
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• 2013

이명박 정부 들어 큰 변화를 겪은 과학기술계는 차기 정부의 과학기술행정체제 개편을 둘러싸고 다양한 논의를 전개했다. 최근 우리나라는 추격의 대상이 주어졌던 과거와 달리 스스로 문제를 던지고 해결해야 하는 탈추격 상황에 있다. 그 과정에서 과학기술혁신정책은 삶의 질 제고, 지속가능한 발전, 불균형 해소 등 다양한 사회적 목표를 포괄하는 3세대 혁신정책 또는 통합형 혁신정책으로의 진화를 모색하며 관련 정책 및 부처 간의 연계 조정을 핵심 과제로 다루고 있다. 본 연구는 우리나라 혁신 거버넌스를 둘러싼 과학기술혁신의 활동 환경 정책 패러다임 변화를 살펴보고 차기 정부가 나아가야 할 혁신 거버넌스 개편 방향과 철학을 몇 가지 안으로 제시했다. 탈추격 혁신정책, 통합형 혁신정책 등의 철학적 기반 하에 혁신 거버넌스 개편 안으로 현행 체제를 유지하되 소프트웨어 개편을 강조하는 1안, 과학기술부 부총리 체제와 지경부의 발전적 해체를 강조하는 2안, 국과위의 발전적 개편을 강조하는 3안을 주장하였다.

• 한국자기공명학회논문지
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• 제11권2호
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• pp.95-109
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• 2007

Vanadium-incorporated aluminophosphate microporous molecular sieve VH-SAPO-42 has been studied by electron spin resonance(ESR) and electron spin-echo modulation (ESEM) spectroscopies to determine the vanadium location and interaction with various adsorbate molecules. The results are interpreted in terms of V(IV) ion location and coordination geometry. Assynthesized VH-SAPO-42 contains only vanadyl species with distorted octahedral or trigonal bipyramidal coordination. Vanadium incorporated into H-SAPO-42 occupied extra-framework site. After calcinations in $O_2$ and exposure to moisture, only species A is observed with reduced intensities. Species A is identified as a $VO(H_2O)_2^{2+}$ complex coordinated to three framework oxygen atoms bonded to aluminum. When hydrated VH-SAPO-42 is dehydrated at elevated temperature by calcination, species A loses its water ligand and transforms to $VO^{2+}$ ions coordinated to three framework oxygens (species B). Species B reduces its intensities significantly after treatment with $O_2$ at high temperature, thus suggesting oxidation of $V^{4+}$ to $V^{5+}$. When dehydrated VH-SAPO-42 makes contact with $D_2O$ at room temperature, the ESR signal of species A is regained. The species is assumed as a $VO(O_f)_3(D_2O)_2$ by considering three framework oxygens. Adsorption of deuterated methanol on dehydrated VH-SAPO-42 results in another new vanadium species D, which is identified as a $VO(CD_3OH)_2$ complex. When deuterated ethylene is adsorbed on dehydrated VH-SAPO-42, another new vanadium species E identified as a $VO(C_2D_4)^{2+}$, is observed. Possible coordination geometries of these various complexes are discussed.

• 한국운동역학회지
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• 제31권3호
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• pp.205-213
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• 2021

Objective: The aim of this study was to analyze body stability Joint coordination pattern though as bending stiffness of shoes during stance phase of running. Method: 47 male subjects (Age: 26.33 ± 2.11 years, Height: 177.32 ± 4.31 cm, Weight: 65.8 ± 3.87 kg) participated in this study. All subjects tested wearing the same type of running shoes by classifying bending stiffness (A shoes: 3.2~4.1 N, B shoes: 9.25~10.53 N, C shoes: 20.22~21.59 N). They ran 10 m at 3.3 m/s (SD ±3%) speed, and the speed was monitored by installing a speedometer at 3 m intervals between force plate, and the measured data were analyzed five times. During running, ankle joint, MTP joint, coupling angle, inclination angle (anterior-posterior, medial-lateral) was collected and analyzed. Vector coding methods were used to calculate vector angle of 2 joint couples during running: MTP-Ankle joint frontal plane. All analyses were performed with SPSS 21.0 and for repeated measured ANOVA and Post-hoc was Bonferroni. Results: Results indicated that there was an interaction between three shoes and phases for MTP (Metatarsalphalangeal) joint angle (p = .045), the phases in the three shoes showed difference with heel strike~impact peak (p1) (p = .000), impact peak~active peak (p2) (p = .002), from active peak to half the distance to take-off until take-off (p4) (p = .032) except for active peak~from active peak to half the distance to take-off (p3) (p = .155). ML IA (medial-lateral inclination angle) for C shoes was increased than other shoes. The coupling angle of ankle angle and MTP joint showed that there was significantly difference of p2 (p = .005), p4 (p = .045), and the characteristics of C shoes were that single-joint pattern (ankle-phase, MTP-phase) was shown in each phase. Conclusion: In conclusion, by wearing high bending stiffness shoes, their body instability was increased during running.

• Bulletin of the Korean Chemical Society
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• 제31권6호
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• pp.1704-1710
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• 2010

The structure of a 2D grid-like copper(II) complex [Cu$(NCO)_2$(pyz)](pyz=pyrazine) (1) consists of 1D chains of Cu-pyz units connected by double end-on (EO) cyanato bridges. Each Cu(II) ion has a distorted octahedral coordination, completed by the four EO cyanato and two pyrazine ligands. Magnetic interactions through EO cyanato and pyrazine bridges in 1 are discussed on the basis of DFT broken-symmetry calculations at the B3LYP level. For model dicopper(II) complexes I (bridged by cyanato) and II (bridged by pyrazine), electronic structure calculations reproduce very well the experimental couplings for the S = 1/2 ferromagnetic and antiferromagnetic exchange-coupled 2D system: the calculated exchange parameters J are +1.25 $cm^{-1}$ and -3.07 $cm^{-1}$ for I and II, respectively. The $\sigma$ orbital interactions between the Cu $x^2-y^2$ magnetic orbitals and the nitrogen lone-pair orbitals of pyrazine are analyzed from the viewpoint of through-bond interaction. The energy splitting of 0.106 eV between two SOMOs indicates that the superexchange interaction should be antiferromagnetic in II. On the other hand, there are no bridging orbitals that efficiently connect the two copper(II) magnetic orbitals in I because the HOMOs of the basal-apical NCO bridge do not play a role in the formation of overlap interaction pathway. The energy separation in the pair of SOMOs of I is calculated to be very small (0.054 eV). This result is consistent with the occurrence of weakly ferromagnetic properties in I.

• 대한화학회지
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• 제36권2호
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• pp.205-211
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• 1992

아세트아미드(AA)의 CO기와 희토류 금속이온(Ln(II))을 포함하는 몇 가지 lanthanide shift reagent(LSR) 사이의 상호작용을 이해하기 위하여 AA의 $2{\nu}_{C=0}$ + amide III 조합띠를 $15^{\circ}$ ${\sim} 45^{\circ}C$에서 조사하였다. 묽은 $CCl_4$ 용액속에서 하나의 AA가 사용된 LSR에 배위되어 1 : 1 AA-LSR 복합체를 이루며, Ln(Ⅲ)이온에 대한 AA의 배위 위치는 카르보닐의 산소임을 알았다. 온도 및 농도에 따른 이 조합띠의 변화로부터 Ln(III)${\cdot}$O=C 결합에 대한 여러가지 열역학적 함수들을 구했다. Eu$(dpm)_3$, Yb$(dpm)_3$ 및 Pr$(dpm)_3$에 대한 AA의 결합의 세기를 나타내는 ${\Delta}H^{\circ}$는 각각 -39.1, -28.4 및 -25.5kJ/mol이다. 이들 값을 비교해보면 AA 분자가 배위될 때 중심금속이온의 ionic potential 효과보다는 이미 배위되어 있는 커다란 dpm 분자에 의한 입체장애효과가 더 큼을 알 수 있다.