• BMB Reports
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• 제38권4호
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• pp.381-385
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• 2005

Severe acute respiratory syndrome (SARS) is an emerging infectious disease associated with a novel coronavirus (CoV) that was identified and molecularly characterized in 2003. Previous studies on various coronaviruses indicate that protein-protein interactions amongst various coronavirus proteins are critical for viral assembly and morphogenesis. It is necessary to elucidate the molecular mechanism of SARS-CoV replication and rationalize the anti-SARS therapeutic intervention. In this study, we employed an in vitro GST pull-down assay to investigate the interaction between the membrane (M) and the nucleocapsid (N) proteins. Our results show that the interaction between the M and N proteins does take place in vitro. Moreover, we provide an evidence that 12 amino acids domain (194-205) in the M protein is responsible for binding to N protein. Our work will help shed light on the molecular mechanism of the virus assembly and provide valuable information pertaining to rationalization of future anti-viral strategies.

• Journal of Pharmaceutical Investigation
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• 제41권2호
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• pp.95-102
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• 2011

An amphiphilic cationic branched methoxy poly (ethylene glycol)-branched polyethylenimine - poly(L-phenylalanine) (mPEG-bPEI-pPhe) block copolymer was successfully synthesized by ring-opening polymerization (ROP) of N-carboxyanhydride of L-phenylalanine (Phe-NCA) with mPEG-bPEI for the preparation of more stable polyelectrolyte complex (PEC) included a hydrophobic interaction. mPEG-bPEI was firstly prepared by the coupling of mPEG and bPEI using hexamethylene diisocyanate (HMDI). The structural properties of mPEG-bPEI-pPhe copolymers were confirmed by $^1H$ NMR. The copolymers exhibited a self-assemble behavior in water above critical aggregate concentration (CAC) in the range of 0.01-0.14 g/L. The CAC of copolymers obviously depended on the hydrophobic block content in the copolymers (the value decreased with the increase of the pPhe block content). The cationic copolymers have the ability to form multi-interaction complex (MIC) with bovine serum albumin (BSA) and plasmid DNA through multi-interaction (electrostatic and hydrophobic interaction). The physicochemical characterization of the complex was carried out by the measurement of zeta potential and particle size. Their zeta-potentials were positive (approximately +10 mV) and their sizes decreased with increasing pPhe contents in the copolymers (PPF/BSA wt% ratio = 2). The complex showed good stability at high ionic strength. Therefore, mPEG-bPEI-pPhe block copolymer was considered as a potential material to enhance the stability of complex including biotherapuetic drugs.

• 한국자기학회지
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• 제11권5호
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• pp.232-238
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• 2001

Nano결정립 N $d_2$F $e_{14}$B+F $e_3$B 복합상 자성 압분체의 탈자화 현상을 자기특성 변화 및 $\delta$M측정에 의해 분석하였다. 초기 조성 N $d_4$F $e_{73.5}$ $Co_3$H $f_{0.5}$G $a_{0.5}$ $B_{18.5}$의 최대자기에너지적은 리본상태에서 14 MGOe, 분말 압분체에서 6.5 MGOe로 크게 감소하였다. 이러한 현상은 복합상의 리본상태에서 존재하는 교환상호작용력이 분말 압분체에서는 나타나지 않고, 정자장 작용에 의한 탈자화로 인해 잔류자속밀도가 크게 감소한 결과이다. 이는 급냉리본(bulk) 보다 압분체상태에서 정자장 상호작용력이 교환상호작용력보다 더 크게 작용하는 결과로 해석된다. 또한, 자성체 리본을 분쇄하는 과정에서 발생한 응력도 자기특성을 감소시키는 요소임을 확인하였다.하였다.하였다.

• 한국자기학회지
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• 제5권5호
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• pp.404-407
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• 1995

Magnetic properties of model exchange-spring magnets, which are composed of magnetically soft and hard grains, were calculated by means of computer simulation. The dependence of the magnetic properties on the strength of intergrain exchange interaction and the amount of soft grains was studied. The existence of soft grains enhanced the remanence remarkably, and the remanence over $0.8M_{s}$ was obtained in the model magnets containing 25% or more soft grains by volume. The calculated coercivity vs. the strength of the exchange interaction curves showed a peak at a critical strength of the exchange interaction, although the remanence increased monotonously with increase in the strength of the exchange interaction. Thus the maximum energy product also reached a peak around the same critical strength. The calculated maximum energy product exceeded $300kJ/m^{3}$ when the magnet is assumed to be composed of $Fe_{3}B$ and $Nd_{2}Fe_{14}B$.

• Bulletin of the Korean Chemical Society
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• 제27권11호
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• pp.1752-1756
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• 2006

This study explores and interprets in a new way the complex solvent and the temperature dependence of the NMR shifts for the N-$CH_2$ protons in tris(N,N-diethyldithiocarbamato) iron(III) in acetone, benzene, carbon disulfide, chloroform, dimethylformamide and pyridine. The NMR shifts are interpreted in terms of the Fermi contact interaction and the dipolar term from the multipole expansion of the interaction of the electron orbital angular momentum and the electron spin dipolar-nuclear spin angular momentum. This analysis yields a direct measure of the effect of the solvent system on the environment of the transition metal ion. The results are analysed in terms of the crystal field environment of the transition metal ion with contributions from (a) the dithiocarbamate ligand (b) the solvent molecules and (c) the interaction of the effective dipole moment of the polar solvent molecule with the transition metal ion complex.

• 대한화학회지
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• 제59권2호
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• pp.117-124
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• 2015

Hydrogen polyoxide, $H_2O_n-H_2O_m$(n=1-4, m=1-4) 이중합체(dimer)의 분자 구조 변화에 따른 수소결합(H-bonding) 효과를 순 이론적(ab initio) 방법과 밀도 범함수 이론(DFT)으로 계산하였다. 분자 구조는 B3LYP, CAM-B3LYP, MP2의 양자역학적 방법들을 사용하여 최적화하였으며, 진동주파수를 계산하여 최저에너지(true local minimum) 구조인 것을 확인하였다. 보다 정확한 수소결합 에너지(${\Delta}E$) 계산을 위하여 CCSD(T) 이론수준에서 한 점(single-point) 에너지 계산을 하였으며, 영점 진동에너지(ZPVE) 보정과 바탕집합 중첩에러(BSSE) 보정을 하였다. CCSD(T)/cc-pVTZ 이론 수준에서 $H_2O_4-H_2O_3$이 8.18 kcal/mol로 가장 강한 결합을 나타내었으며, 물 이중합체($H_2O-H_2O$)는 3.00 kcal/mol로 가장 약한 결합에너지를 나타내었다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.382-383
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• 2013

Gate-controlled spin-orbit interaction parameter is a key factor for developing spin-Field Effect Transistor (Spin-FET) in a quantum well structure because the strength of the spin-orbit interaction parameter decides the spin precession angle [1]. Many researches show the control of spin-orbit interaction parameter in n-type quantum channels, however, for the complementary logic device p-type quantum channel should be also necessary. We have calculated the spin-orbit interaction parameter and the effective mass using the Shubnikov-de Haas (SdH) oscillation measurement in a GaSb two-dimensional hole gas (2DHG) structure as shown in Fig 1. The inset illustrates the device geometry. The spin-orbit interaction parameter of $1.71{\times}10^{11}$ eVm and effective mass of 0.98 $m^0$ are obtained at T=1.8 K, respectively. Fig. 2 shows the gate dependence of the spin-orbit interaction parameter and the hole concentration at 1.8 K, which indicates the spin-orbit interaction parameter increases with the carrier concentration in p-type channel. On the order hand, opposite gate dependence was found in n-type channel [1,2]. Therefore, the combined device of p- and n-type channel spin transistor would be a good candidate for the complimentary logic device.

• 대한화학회지
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• 제35권4호
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• pp.301-307
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• 1991

니트로벤젠 및 m-크실렌 용액내에서 1-요오드화프로판의 용해도를 8$^{\circ}$, 15$^{\circ}$및 25$^{\circ}C$에서 요오드화칼륨이 존재할 때와 존재하지 않을 때의 두 경우에 대하여 각각 측정하여 보았다. 요오드화칼륨이 존재하지 않을 때에 m-크실렌에서 1-요오드화프로판의 용해도가 니트로벤젠에서 보다 크다. 이것은 1-요오드화프로판과 m-크실렌의 상호작용이 니트로벤젠보다 더 강하다는 것을 나타낸다. 그리고 요오드화칼륨이 존재할 경우에는 용액내에서 1-요오드화프로판과 요오드화칼륨이 불안정한 착물이 생성된다. 이 착물을 여러 경우로 가정하여 계산하여 본 결과 1:1 착물일 때, 불안정 상수 K값이 비교적 일정한 값을 나타내었다. 그러므로 1:1 착물 n-C$_3H_7I{\cdot}GaI_3$가 형성됨을 알았으며, 이 착물은 용액내에서 다음 평형식에 의해서 이루어 진다고 본다. n-C$_3H_7I{\cdot}GaI_3{\rightleftharpoons}n-C_3H_7I+1/2Ga_2I_6$ 요오드화칼륨과 1-요오드화프로판의 착물의 불안정도를 이와 대응하는 요오드화메틸과 비교하여 보았다. 또한 이 착물의 해리에 대한 엔탈피, 자유에너지 및 엔트로피 변화도 산출하였다.

• Journal of Electrochemical Science and Technology
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• 제11권2호
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• pp.117-131
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• 2020

The adsorption of N-[(E)-Pyridin-2-ylmethylidene] aniline, a Schiff base, on to mild steel surface in 1M HCl and 0.5 M H₂SO₄ solutions and the consequent corrosion protection were studied employing weight loss method, electrochemical impedance spectroscopy and potentiodynamic polarization measurements. DFT calculations were performed to investigate its interaction with the metal surface at the atomic level to understand its inhibition mechanism. The adsorption process is well described by the Langmuir isotherm. The thermodynamic parameters indicated that the adsorption is spontaneous and the interaction of the inhibitor at the mild steel surface is mainly through physisorption. The R_a values obtained in AFM studies for the uninhibited and inhibited sample in HCl media respectively are 0.756 and 0.559 ㎛, and that in H₂SO₄ media are 0.411 and 0.406 ㎛. The lesser roughness values of the inhibited sample shows the adsorption of the molecules onto the mild surface. The inhibition efficiencies were found to improve with concentration of the inhibitor and the maximum efficiency was observed at 400ppm in all the investigation methods adopted. The inhibitor was found to exhibit a higher efficiency in HCl media (95.7%) than in H₂SO₄ (92.8%). The theoretical and experimental results are found to be in good agreement.

• 대한화학회지
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• 제26권2호
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• pp.65-72
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• 1982

여러 형태의(n${\pi}$/m) 및 (n-${\sigma}^*$) 구조가 에너지에 미치는 구조적인 기여를 살펴보기 위하여 n-프로필아민, n-프로필아민 라디칼, trans-및 cis-에틸렌 디아민에 대한 STO-3G 수준의 계산을 수행하였다. 그 결과 (5${\pi}$/5)구조가 (4${\pi}$/4)구조는 각각 인력 및 반발의 비결합 상호작용을 나타내었으며 서로 부가관계를 가짐을 알았다. anti(n-${\sigma}^*$) 구조는 syn(n-${\sigma}^*$)구조보다 강한 hyperconjugation효과를 보이지만 anti(n-${\sigma}^*$)구조에서 강한 핵간 반발력을 가지기 때문에 결과적으로 불안정한 겉보기 효과를 나타내었다. 더우기 안정화${\pi}$ -비결합 (5${\pi}$/5)구조는 anti(${\pi}$-${\sigma}^*$)구조를, 불안정화 ${\pi}$-비결합(4${\pi}$/4)구조는 syn(n-${\sigma}^*$)구조를 수반하며 상호 보강적으로 작용함을 알았다. 또한 이러한 상호 보강성이 일반적인 성질임을 알았다. 끝으로 말단의 고립 전자쌍에 의한 through-bond 상호작용을 논의하였으며 이러한 상호작용으로 에너지 준위가 $n_+ = \frac{1}{\sqrt{2}}(n_1\;+\;n_2)$와 $n_-\;=\;\frac{1}{\sqrt{2}}(n_1\;-\;n_2)$로 갈라지는데 이때 고립 전자쌍의 간단한 overlap pattern으로 n_준위가 안정한 준위임을 알았다.