• 한국산학기술학회논문지
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• 제21권9호
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• pp.662-671
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• 2020

GNSS 상시관측소 고시좌표는 측지기준점으로써의 중요성과 다양한 위성측위 응용 분야의 활용성을 고려할 때 최고의 정확도와 최신성을 갖도록 관리해야 한다. 특히, 지진 등에 따른 지각 변위는 그 크기에 해당하는 만큼 기존 성과에 편의를 유발함으로, 그 영향이 목표 정확도를 초과할 때에는 신속히 새로운 기준 좌표를 산정·제공하는 등 적절한 조치가 필요하다. 본 논문에서는 GNSS 상시관측소 데이터 자동처리 시스템과 연계 구현할 수 있는 칼만 필터에 기반 좌표 시계열의 편의검출 절차와 방법을 연구하였다. 이를 통해 필터 이노베이션과 재추정 시계열에 적용할 수 있는 통계 검정 기법을 구현한 후 과학기술용 GNSS 소프트웨어에 의해 추정한 국내 14개소 상시관측소 2010년~2011년 시계열에 적용해 그 성능과 특징을 파악하였다. 그 결과 통계검정의 오류와 신뢰성을 고려할 때 필터링 시계열에 대한 CUSUM(Cumulative Sum) 검사는 지진 등에 따른 잔류편의 그리고 이노베이션에 대한 광역검정은 특정 에포크에서 발생하는 돌출오차 검출에 효과적인 것으로 분석되었다.

• Bulletin of the Korean Chemical Society
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• 제34권3호
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• pp.777-782
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• 2013

In order to further reduce the sulfur content in liquid hydrocarbon fuels, a desulfurization process by adsorption for removing dimethyl sulfide (DMS) and propylmercaptan (PM) was investigated. Bentonite adsorbents modified by $CuCl_2$ for the desulfurization of model oil was investigated. The results indicated that the modified bentonite adsorbents were effective for adsorption of DMS and PM. The bentonite adsorbents were characterized by X-ray diffraction (XRD) and thermal analysis (TGA). The acidity was measured by FT-IR spectroscopy. Several factors that influence the desulfurization capability, including loading and calcination temperature, were studied. The maximum sulfur adsorption capacity was obtained at a Cu(II) loading of 15 wt %, and the optimum calcination temperature was $150^{\circ}C$. Spectral shifts of the ${\nu}$(C-S) and ${\nu}$(Cu-S) vibrations of the complex compound obtained by the reaction of $CuCl_2$ and DMS were measured with the Raman spectrum. On the basis of complex adsorption reaction and hybrid orbital theory, the adsorption on modified bentonite occurred via multilayer intermolecular forces and S-M (${\sigma}$) bonds.

• Journal of Photoscience
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• 제9권2호
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• pp.110-113
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• 2002

We demonstrate here a dynamic structure of bacteriorhodopsin (bR) as revealed by $^{13}$ C NMR studies on [3_$^{13}$ C]_,[1-$^{13}$ C]Ala- and/or Val-labeled wild type and a variety of site-directed mutants at ambient temperature. For this purpose, well-resolved (up to twelve) I$^{13}$ C NMR peaks were assigned with reference to the displacement of peaks due to the conformation-dependent I$^{13}$ C chemical shifts and reduced peak-intensities due to site-directed mutations. Revealed bR structure was not rigid as anticipated from 2D crystals of hexagonal array but a dynamically heterogeneous, undergoing a variety of local fluctuations depending upon specific site with frequency range of 10$^2$ -10$^{8}$ Hz. In particular, dynamics- dependent suppression of peaks turned out to be very sensitive to the motion of 10$^{-4}$ s and 10$^{-5}$ s interfered with frequency of magic angle spinning and proton decoupling, respectively. It is also noteworthy that such dynamic feature is strongly dependent upon the manner of 2D crystalline packing: $^{13}$ C NMR peaks of monomeric bR yielded either highly broadened or completely suppressed signals, depending upon the type of $^{13}$ C-labeled amino-acid residues.

• 농약과학회지
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• 제9권3호
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• pp.191-198
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• 2005

신규 살충제 표적 단백질인 AnCE의 활성부위 잔기들과 상호작용 가능한 약리단 (pharmacophore)을 세 개의 펩타이드로 이루어진 ACE 기질 Hippuryl-L -histidyl-L-leucine (Hip-L-His-L-Leu, HHL) 분자의 구조를 모델로 하여 예측하였다. HHL의 분자구조, 용액장 내에서의 구조변화 그리고 약리단을 구성하는 원자들의 전하밀도 분석을 위해 순이론적인 양자화학 계산방법을 이용하여 구조 최적화, NMR 화학적 이동 및 NPA 계산을 수행하였다. 이론적인 NMR 화학적 이동 값들은 실험 결과와 잘 일치함을 보였고 전하밀도 계산 결과는 해당원자의 약리단을 분석하는데 사용되었다. 결과적으로 HHL 분자 구조를 통해 소수성(aromatic, aliphatic), 수소결합 주게, 수소결합 받게, 금속 아연 결합부위의 5개 약리단을 추출할 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.489-494
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• 2013

An improved method for the preparation of monomethine cyanine dyes with quinoline nucleus by one-pot three-component using 1-methyl-2-quinolinethione, quaternized 2- or 4-methylheterocyclic compounds and methyl p-toluenesulfonate as starting materials was described. Compared with the traditional methods, the new synthetic method reduced the reaction steps, shortened the reaction time, avoided the separation and purification of the intermediate and reduced cost. The dyes absorbed in the region 478.0-563.0 nm and had molar extinction coefficients of $1.3{\times}10^4-9.4 {\times}10^4L\;mol^{-1}\;cm^{-1}$. Their fluorescence maxima and Stokes shifts were in the range of 525.2-594.4 nm and 16.2-80.6 nm in different solvents, respectively. From the spectral properties of the dyes in different solvents, it could be found that the ${\lambda}_{max}$ of the dyes were shorter in protonic solvents, and showed hypsochromic shifts with the increase of polarity of the solvents.

• 대한화학회지
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• 제37권12호
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• pp.987-994
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• 1993

유발효과와 공명효과는 케톤의 카르보닐기의 신축진동수를 결정하는데 중요한 역할을 하며 용액에서 수소결합, 유전효과 그리고 입체효과는 모두 케톤의 카르보닐 신축진동수, $ν_{C=O}$를 결정하는 인자이다. νC=O는 아세톤의 메틸기가 페닐기로 하나씩 치환될 때마다 약 27 $cm^{-1}$ 장파장 이동하였다. 케톤의$ν_{C=O}$진동수는 용매에 따라 다른 변화를 보이며 수용액에서 케톤의 부피비가 증가함에 따라 $ν_{C=O}$도 증가하였다. 케톤의 일정농도에서 $ν_{C=O}$ 진동수는 $(CH_3)_2SO/CCl_4$ 과 $CHCl_3/CCl_4$ 혼합 용매의 몰 비율 변화에 따라 연속적으로 이동하며 이로써 $ν_{C=O}$가 $(CH_3)_2SO$ 또는 $CCl_4$, $CHCl_3$ 또는 $CCl_4$의 농도 변화에 모두 영향을 받는다는 것을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제18권11호
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• pp.1166-1172
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• 1997

[FeⅢ(BLPA)DBC]BPh4, a new functional model for the catechol dioxygenases, has been synthesized, where BLPA is bis((6-methyl-2-pyridyl)methyl)(2-pyridylmethyl)amine and DBC is 3,5-di-tert-butylcatecholate dianion. The BLPA complex has a structural feature that iron center has a six-coordinate geometry with N4O2 donor set. It exhibits EPR signals at g=5.5 and 8.0 which are typical values for the high-spin FeⅢ (S=5/2) complex with axial symmetry. The BLPA complex reacts with O2 within a few hours to afford intradiol cleavage (75%) and extradiol cleavage (15%) products which is very unique result of all [Fe(L)DBC] complexes studied. The iron-catecholate interaction of BLPA complex is significantly stronger, resulting in the enhanced covalency of the metal-catecholate bonds and low energy catecholate to FeⅢ charge transfer bands at 583 and 962 nm in CH3CN. The enhanced covalency is also reflected by the isotropic shifts exhibited by the DBC protons, which indicate increased semiquinone character. The greater semiquinone character in the BLPA complex correlates well with its high reactivity towards O2. Kinetic studies of the reaction of the BLPA complex with 1 atm O2 in CH3OH and CH2Cl2 under pseudo-first order conditions show that the BLPA complex reacts with O2 much slower than the TPA complex, where TPA is tris(2-pyridylmethyl)amine. It is presumably due to the steric effect of the methyl substituent on the pyridine ring. Nevertheless, both the high specificity and the fast kinetics can be rationalized on the basis of its low energy catecholate to FeⅢ charge transfer bands and large isotropic NMR shifts for the BLPA protons. These results provide insight into the nature of the oxygenation mechanism of the catechol dioxygenases.

• Bulletin of the Korean Chemical Society
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• 제11권4호
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• pp.276-281
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• 1990

The equivalent conductance of univalent cation (potassium, silver, thallium and ammonium) perchlorates in methanol containing 18-membered crown ethers, 18-crown-6 (18C6) and 1,10-dithia-18-crown-6 (DT18C6) were measured at different temperatures. The equivalent conductances of ammonium perchlorate were increased by increasing content of DT18C6 exceptionally, due to more favorable solvations than complexations. From the equivalent conductance changes, the formation constants for 1:1 compmlexes have been determined, and the values of enthalpy and entropy changes have been calculated. The complexations of 18C6 and DT18C6 with the univalent cations under investigation are all exothermic and the ${\Delta}$S values are all negative and no considerable differences around 50 J/ (k mol). The selectivity order of 18C6 is $K^+ > Tl^+ > Ag^+ > NH_4^+$, while that of DT18C6 is $Ag^+ > Tl^+ > NH_4^+ > K^+$. By sulfur substitutions in 18C6 result in significant decrease in stability, but the stability of $Ag^+$-DT18C6 complex are $10^4$ times larger than those of $K^+$. This increase of stabilities for $Ag^+$-DT18C6 complex are primary due to the result of favorable exothermic heat of reaction between the polarizable soft cation and soft sulfur centers. In NMR experiment, the stepwise additions of cation perchlorates into crown ether solutions induced two major spectral changes. First, the resonance all shift down field and the cation induced shifts were linear up to 1:1 cation/crown ratio, above which no further changes were observed. On the basis of these results, it could be concluded that 1:1 complex is formed. Second, the magnitudes of cation induced shifts were different each other in same ligand. By addition of silver ion to the solution of DT18C6, the largest shift of proton peak near the sulfur atom was observed. These effects are also arisen from the results of covalent bonding between "soft-soft" interactions.

• Bulletin of the Korean Chemical Society
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• 제35권5호
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• pp.1469-1478
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• 2014

Use of acetonitrile in electrolytes promotes better operation of supercapacitors. Recent efforts show that electrolytes containing acetonitrile can also function in a wide range of operating temperatures. Therefore, this paper addresses the dielectric relaxation processes, structure and dynamic properties of the bulk acetonitrile at various temperatures. Systems of acetonitrile were modeled using canonical ensemble and simulated by employing Molecular Dynamics method. Results show that interactions among the molecules were correlated within a cut-off radius while parallel and anti-parallel arrangements are observed beyond this radius at relatively high and low temperatures respectively. Furthermore, effects of C-C-N and C-H bending modes were greatly appreciated on the power spectral density of time rate change of dipole-dipole correlations whereas frequency shifts were observed on all modes at the lowest temperature under consideration. Linear variations with temperature were depicted for reorientation times and self-diffusion coefficients. Shear viscosity was also computed with a good accuracy within a certain range of the temperature as well.

• Bulletin of the Korean Chemical Society
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• 제34권6호
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• pp.1715-1721
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• 2013

Magnetic properties of magnetite ferrofluid are studied by measuring magnetic weights under different magnetic fields with a conventional electronic balance. Magnetite nanoparticles of 11 nm diameter are synthesized to make the ferrofluid. Magnetization calculated from the magnetic weight reveals the hysteresis and deviates from the Langevin function at high magnetic fields. Magnetic weight shifts instantaneously with magnetic field change by Neel and Brown mechanism. When high magnetic field is applied to the sample, slower change of magnetic weight is accompanied with the instantaneous shift via agglomeration of nanoparticles. The slow change of the magnetic weight shows the stretched exponential kinetics. The temporal change of the magnetic weight and the magnetization of the ferrofluid at high magnetic fields suggest that the superparamagnetic sample turns into superspin glass by strong magnetic interparticle interactions.