• 한국지하수토양환경학회지:지하수토양환경
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• 제22권5호
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• pp.30-39
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• 2017

In this study, the predictive toxicity of barley Hordeum vulgare was estimated using a modified terrestrial biotic ligand model (TBLM) to account for the toxic effects of $CuOH^+$ and $CuCO_3(aq)$ generated at pH 7 or higher, and this was compared to that from the original TBLM. At pH values higher than 7, the difference in $EA_{50}\{Cu^{2+}\}$ (half maximal effective activity of $Cu^{2+}$) between the two models increased with increasing pH. As Mg concentration increased from 8.24 to 148 mg/L in the pH range of 5.5 to 8.5, the difference in $EA_{50}\{Cu^{2+}\}$ increased, and it reached its maximum at pH 8. The difference in $EC_{50}[Cu]_T$ (half maximal effective concentration of Cu) between the two models increased as dissolved organic carbon (DOC) concentration increased when pH was above 7. Thus, for soils with alkaline pH, the toxic effect of $CuOH^+$ and $CuCO_3(aq)$ are greater at higher salt and DOC concentrations. The acceptable Cu concentration in soil porewater can be estimated by the modified TBLM through deterministic method at pH levels higher than 7, while combination of TBLM and species sensitivity distribution through the probabilistic method could be utilized at pH levels lower than 7.

• Archives of Pharmacal Research
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• 제26권1호
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• pp.28-33
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• 2003

Ginsenosides, major active ingredients of Panax ginseng, are known to regulate excitatory ligand-gated ion channel activity such as nicotinic acetylcholine and NMDA receptor channel activity. However, it is not known whether ginsenosides affect inhibitory ligand-gated ion channel activity. We investigated the effect of ginsenosides on human recombinant $GABA_A$ receptor (${\alpha}_1{\beta}_1{\gamma}_{2s}$) channel activity expressed in Xenopus oocytes using a two-electrode voltage-clamp technique. Among the eight individual ginsenosides examined, namely, $Rb_1$, $Rb_2$, Rc, Rd, Re, Rf, $Rg_1$ and $Rg_2$, we found that Rc most potently enhanced the GABA-induced inward peak current ($I_{GABA}$). Ginsenoside Rc alone induced an inward membrane current in certain batches of oocytes expressing the $GABA_A$ receptor. The effect of ginsenoside Rc on $I_{GABA}$ was both dose-dependent and reversible. The half-stimulatory concentration ($EC_{50}$) of ginsenoside Rc was 53.2$\pm$12.3 $\mu$M. Both bicuculline, a $GABA_A$ receptor antagonist, and picrotoxin, a $GABA_A$ channel blocker, blocked the stimulatory effect of ginsenoside Rc on $I_{GABA}$. Niflumic acid (NFA) and 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid (DIDS), both $CI^{-1}$ channel blockers, attenuated the effect of ginsenoside Rc on I$I_{GABA}$. This study suggests that ginsenosides regulated $GABA_A$ receptor expressed in Xenopus oocytes and implies that this regulation might be one of the pharmacological actions of Panax ginseng.

• 한국지하수토양환경학회지:지하수토양환경
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• 제16권4호
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• pp.23-30
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• 2011

Risk based pollution level of Pb and Cd in metal contaminated soils depending on physicochemical properties of soil in a target site was assessed using biotic ligand model. Heavy metal activity in soil solution defined as exposure activity (EA) was assumed to be toxic to Vibrio fischeri and soil organisms. Predicted effective activity (PEA) determined by biotic ligand model was compared to EA value to calculate risk quotient. Field contaminated soils (n = 10) were collected from a formes area and their risk based pollution levels were assessed in the present study using the calculated risk quotient. Concentrations of Pb determined by aqua regia were 295, 258, and 268 mg/kg in B, H and J points and concentrations of Cd were 4.73 and 6.36 mg/kg in G and I points, respectively. These points exceeded the current soil conservation standards. However, risk based pollution levels of the ten points were not able to be calculated because concentrations of Pb and Cd in soil solution were smaller than detection limits or one (i.e., non toxic). It was because heavy metal activity in soil solution was dominant toxicological form to organisms, not a total heavy metal concentration in soil. In addition, heavy metal toxicity was decreased by competition effect of major cations and formation of complex with dissolved organic carbon in soil solution. Therefore, it is essential to consider site-specific factors affecting bioavailability and toxicity for estimating reliable risk of Pb and Cd.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.494-500
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• 2014

Indium-doped zinc oxide nanocrystals (IZO NCs), capped with stearic acid (SA) of different sizes, were synthesized using a hot injection method in a noncoordinating solvent 1-octadecene (ODE). The ligand exchange process was employed to modify the surface of IZO NCs by replacing the longer-chain ligand of stearic acid with the shorter-chain ligand of butylamine (BA). It should be noted that the ligand-exchange percentage was observed to be 75%. The change of particle size, morphology, and crystal structures were obtained using a field emission scanning electron microscope (FE-SEM) and X-ray diffraction pattern results. In our study, the 5 nm and 10 nm IZO NCs capped with stearic acid (SA-IZO) were ligand-exchanged with butylamine (BA), and were then spin-coated on a thermal oxide ($SiO_2$) gate insulator to fabricate a thin film transistor (TFT) device. The films were then annealed at various temperatures: $350^{\circ}C$, $400^{\circ}C$, $500^{\circ}C$, and $600^{\circ}C$. All samples showed semiconducting behavior and exhibited n-channel TFT. Curing temperature dependent on mobility was observed. Interestingly, mobility decreases with the increasing size of NCs from 5 to 10 nm. Miller-Abrahams hopping formalism was employed to explain the hopping mechanism insight our IZO NC films. By focusing on the effect of size, different curing temperatures, electron coupling, tunneling rate, and inter-NC separation, we found that the decrease in electron mobility for larger NCs was due to smaller electronic coupling.

• Journal of Applied Biological Chemistry
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• 제66권
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• pp.53-59
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• 2023

Tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) has no effect on normal cells, but selectively can induce apoptosis in tumor cells. Gartanin, a xanthone compound in mangosteen, has been shown to inhibit cancer cell growth by arresting the cell cycle and inducing autophage. In this study, we revealed that gartanin can sensitize TRAIL-induced human liver cancer cell death. We also found that gartanin enhances DR5 expression, a death receptor for TRAIL. This effect appears to be related to CHOP activation associated with the response of endoplasmic reticulum stress. Gartanin treatment also inhibited p62 protein expression and cleaved LC3 to activate autophagy flux, which is related with TRAIL-induced cell death. Pretreatment with autophagy flux inhibitor, LY294002, inhibited gartanin-induced DR5 expression. In summary, our results reveal that the combined treatment of gartanin and TRAIL can be a valuable tool for cancer treatment.

• 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.

• 대한화학회지
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• 제54권5호
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• pp.515-522
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• 2010

o-phenylene diamines, dehydroacetic acid (DHA) 및 p-chloro benzaldehyde에서 유도된 세자리 Schiff 염기 리간드인 4-hydroxy-3(1-{2-(benzylideneamino)-phenylimino}-ethyl)-6-methyl-2H-pyran-2-one (HL)의 Cu(II), Ni(II), Co(II), Mn(II) 및 Fe(III) 착물의 형성상수와 항미생물 활성과의 관계를 연구하였다.리간드와 착물은 원소분석, 전도도, 자기수자율, 열분석, X-선 회절, IR, $^1H$-NMR, UV-vis 및 질량 스펙트럼으로 특성조사를 하였다. 분석데이터로부터 착물들의 화학량론비가 1:2 (금속:리간드)임을 알았다. 금속 착물들의 몰 전도도 값은 이들의 비전해질 성질을 의미한다. X-선 회절 데이터에서 Ni(II) 착물은 단사정계 그리고 Cu(II) 및 Co(II) 착물은 삼사정계 결정계임을 규명하였다. IR 스펙트럼 데이터로부터 리간드는 중심금속에 대해 ONN 주개원자 배열의 세자리 리간드로 행동함을 알았다. 열적 행동 (TG/DTA)과 Coats-Redfern 법에 의해 계산한 반응속도 파라메터는 착물형성 과정에서 좀 더 질서 있는 활성화 상태를 제안하고 있다. 착물의 양성자화 상수를 THF:물 (60:40) 용액, $25^{\circ}C$ 및 이온세기 ${\mu}=0.1\;M$ ($NaClO_4$)에서 전위차법으로 측정하였다. Staphylococcus aureu 및 Escherichia coli.에 대한 항박테리아 활성을 시험관에서 조사하였다. 또한 Aspergillus Niger 및 Trichoderma에 대한 항세균 활성도 조사하였다. 금속 이온 및 착물의 안정도가 항미생물학적 활성에 미치는 영향을 고찰하였다.

• 한국진공학회지
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• 제9권3호
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• pp.197-206
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• 2000

(hfc)Cu(1,5-COD)(1,1,1,5,5,5-hexafluoro-2,4-pentadionato Cu(I) 1,5-cyclooctadine) 증착원을 이용하여 MOCVD(Metal Organic Chemical Vapor Deposition) Cu박막을 형성하였고, 운반기체가 MOCVD Cu 증착 특성에 미치는 영향에 관하여 조사하였다. 증착된 Cu 박막은 $H_2$ 운반 기체를 사용한 경우 Ar을 운반기체로 사용한 경우에 비하여 증착률의 증가와 더불어 낮은 비저항을 갖는 박막을 얻을 수 있었다. 또한 표면 거칠기의 개선과 강한 (111) 우선 배향성을 나타내는 박막을 얻을 수 있었으나 접착성의 경우에 있어서는 H$_2$운반 기체를 사용한 경우 감소하는 결과를 나타내었다. 이러한 접착성 감소의 원인은 AES분석에서 확인된 바와 같이 박막내부에 존재하는 F의 영향인 것으로 사료된다. H(hfac) ligand의 첨가 효과에 대하여 조사한 결과에서는 Ar 운반 기체를 사용한 경우 H(hfac)첨가시 증착률의 향상이 이루어졌으나 $H_2$운반 기체의 경우 큰 변화를 나타내지 않았고, 비저항의 경우에는 운반 기체와 관계없이 감소하는 결과를 보여 H(hfac) 사용이 증착 특성 개선에 효과적으로 나타났다. 따라서 본 연구에서는 운반기체 변화 및 H(hfac) ligand의 첨가 실험을 통해 MOCVD Cu의 증착기구를 조사하였으며, 이러한 공정조건의 변화가 Cu 박막의 표면거칠기 개선과 동시에 비저항을 낮추는 역할을 하는 것으로 나타났다.

• Bioinformatics and Biosystems
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• 제1권2호
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• pp.103-108
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• 2006

단백질-리간드 결합 예측은 새로운 신약 선도 물질을 발견하고 최적화 하는데 있어서 중요한 도구로 널리 사용되고 있다. 결합의 정확도는 일반적으로 각 결합 계산에서 사용되는 평가 함수(scoring function)에 따라 결정된다. 평가 함수는 그 함수가 가지고 있는 기력 가정에 따라 force-field based, empirical, knowledge-based의 세 가지로 분류할 수 있다. 이 중에서 force-field based 함수는 물리적인 상호작용을 가장 구체적으로 기술한다. 그러나 현재 제시된 대부분의 force-field based 함수들은 분산력과 정전기적인 힘 등의 에너지만을 고려할 뿐 엔트로피의 영향을 포함하지 않는 단점을 가지고 있다. 본 논문에서는 force-field based 평가 함수를 이용하는 경우 기존의 도킹 프로그램이 생성해 내는 구조 정보를 활용하여, 엔트로피를 고려할 수 있는 방법을 제시한다. 또한 이 방법을 DOCK 평가 함수에 적용시켰을 때 decoy discrimination에서 향상된 결과를 얻어낼 수 있음을 보였다. 이는 더 정확한 도킹 계산이 가능함을 의미한다.

• 운동영양학회지
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• 제24권3호
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• pp.19-24
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• 2020

[Purpose] Although physical activity is required to prevent or ameliorate osteoporosis, medicine prescription should precede it, since it may be limited in severe osteoporosis patients. Furthermore, osteoporosis has a great effect on physical activity disorders that accompany fractures and pain, and therefore, research on treatment or prevention to decrease the number of patients is required. The purpose of this study was to discover candidate substances from natural products with an effective pharmacological action and to prepare basic data to help patients. [Methods] To prepare the osteoporosis model, ovariectomy (OVX) was performed using surgical methods. The prepared prescription [Shinkiwhan (SKH), a Korean medicine] was administered orally at a dose of 210 mg/kg/day for 8 weeks. After completion of the animal experiment, the bone mineral density (BMD) was analyzed using double-energy X-ray absorptiometry. The analysis of the effect of drugs on bones was performed using histological analysis and immunostaining. [Results] SKH increased the BMD in the OVX rats. Furthermore, SKH significantly increased the expression of osteoprotegerin and downregulated receptor activator of nuclear factor kappa B ligand and phosphorylation of c-jun N-terminal kinases in the bones of the OVX model. [Conclusion] Our findings suggest a protective effect of SKH against BMD loss in the OVX model.