• 제목/요약/키워드: Binding Energy

검색결과 777건 처리시간 0.027초

γ-Al2O3에 담지된 Cu-Mn 산화물 촉매의 활성 및 특성 (Activity and Characteristics of Cu-Mn Oxide Catalysts Supported on γ-Al2O3)

  • 김혜진;최성우;이창섭
    • Korean Chemical Engineering Research
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    • 제44권2호
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    • pp.193-199
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    • 2006
  • ${\gamma}-Al_2O_3$에 담지한 Cu-Mn 산화물 촉매에서 톨루엔 완전산화 반응을 $160{\sim}280^{\circ}C$의 온도 범위에서 고정층 반응기로 조사하였다. BET, SEM, TPR, TPO, XPS 및 XRD를 이용하여 촉매 특성분석을 하였다. 톨루엔의 완전산화 반응은 $280^{\circ}C$ 이하에서 이루어졌으며, 적절한 Cu-Mn 담지량은 15.0 wt%Cu-10.0 wt%Mn인 것으로 나타났다. TPR/TPO 및 XPS 분석 결과, 15 Cu-10 Mn 촉매의 산화환원 봉우리가 낮은 온도로 이동하였으며 결합에너지가 높은 값으로 이동하였다. XRD 결과, 고분산된 Mn 산화물과 CuO 보다 $Cu_{1.5}Mn_{1.5}O_4$의 촉매활성 인자로서의 역할이 더욱 우수한 것으로 추측되며, 촉매의 활성은 촉매의 산화환원 능력과 촉매의 높은 산화 상태에 기인하는 것으로 사료된다.

저온 ALD로 제조된 TiO2 나노 박막 물성 연구 (Property of the Nano-Thick TiO2 Films Using an ALD at Low Temperature)

  • 윤기정;송오성
    • 한국재료학회지
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    • 제18권10호
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    • pp.515-520
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    • 2008
  • We fabricated 10 nm-$TiO_2$ thin films for DSSC (dye sensitized solar cell) electrode application using ALD (atomic layer deposition) method at the low temperatures of $150^{\circ}\;and\;250^{\circ}$. We characterized the crosssectional microstructure, phase, chemical binding energy, and absorption of the $TiO_2$ using TEM, HRXRD, XPS, and UV-VIS-NIR, respectively. TEM analysis showed a 10 nm-thick flat and uniform $TiO_2$ thin film regardless of the deposition temperatures. Through XPS analysis, it was found that the stoichiometric $TiO_2$ phase was formed and confirmed by measuring main characteristic peaks of Ti $2p^1$, Ti $2p^3$, and O 1s indicating the binding energy status. Through UV-VIS-NIR analysis, ALD-$TiO_2$ thin films were found to have a band gap of 3.4 eV resulting in the absorption edges at 360 nm, while the conventional $TiO_2$ films had a band gap of 3.0 eV (rutile)${\sim}$3.2 eV (anatase) with the absorption edges at 380 nm and 410 nm. Our results implied that the newly proposed nano-thick $TiO_2$ film using an ALD process at $150^{\circ}$ had almost the same properties as thsose of film at $250^{\circ}$. Therefore, we confirmed that the ALD-processed $TiO_2$ thin film with nano-thickness formed at low temperatures might be suitable for the electrode process of flexible devices.

Development of Inhibitors against TraR Quorum-Sensing System in Agrobacterium tumefaciens by Molecular Modeling of the Ligand-Receptor Interaction

  • Kim, Cheoljin;Kim, Jaeeun;Park, Hyung-Yeon;Park, Hee-Jin;Kim, Chan Kyung;Yoon, Jeyong;Lee, Joon-Hee
    • Molecules and Cells
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    • 제28권5호
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    • pp.447-453
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    • 2009
  • The quorum sensing (QS) inhibitors that antagonize TraR, a receptor protein for N-3-oxo-octanoyl-L-homoserine lactones (3-oxo-C8-HSL), a QS signal of Agrobacterium tumefaciens were developed. The structural analogues of 3-oxo-C8-HSL were designed by in silico molecular modeling using SYBYL packages, and synthesized by the solid phase organic synthesis (SPOS) method, where the carboxamide bond of 3-oxo-C8-HSL was replaced with a nicotinamide or a sulfonamide bond to make derivatives of N-nicotinyl-L-homoserine lactones or N-sulfonyl-L-homoserine lactones. The in vivo inhibitory activities of these compounds against QS signaling were assayed using reporter systems and compared with the estimated binding energies from the modeling study. This comparison showed fairly good correlation, suggesting that the in silico interpretation of ligand-receptor structures can be a valuable tool for the pre-design of better competitive inhibitors. In addition, these inhibitors also showed anti-biofilm activities against Pseudomonas aeruginosa.

GIGANTEA Regulates the Timing Stabilization of CONSTANS by Altering the Interaction between FKF1 and ZEITLUPE

  • Hwang, Dae Yeon;Park, Sangkyu;Lee, Sungbeom;Lee, Seung Sik;Imaizumi, Takato;Song, Young Hun
    • Molecules and Cells
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    • 제42권10호
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    • pp.693-701
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    • 2019
  • Plants monitor changes in day length to coordinate their flowering time with appropriate seasons. In Arabidopsis, the diel and seasonal regulation of CONSTANS (CO) protein stability is crucial for the induction of FLOWERING LOCUS T (FT) gene in long days. FLAVIN-BINDING, KELCH REPEAT, F-BOX 1 (FKF1) and ZEITLUPE (ZTL) proteins control the shape of CO expression profile antagonistically, although regulation mechanisms remain unknown. In this study, we show that GIGANTEA (GI) protein modulates the stability and nuclear function of FKF1, which is closely related to the stabilization of CO in the afternoon of long days. The abundance of FKF1 protein is decreased by the gi mutation, but increased by GI overexpression throughout the day. Unlike the previous report, the translocation of FKF1 to the nucleus was not prevented by ZTL overexpression. In addition, the FKF1-ZTL complex formation is higher in the nucleus than in the cytosol. GI interacts with ZTL in the nucleus, implicating the attenuation of ZTL activity by the GI binding and, in turn, the sequestration of FKF1 from ZTL in the nucleus. We also found that the CO-ZTL complex presents in the nucleus, and CO protein abundance is largely reduced in the afternoon by ZTL overexpression, indicating that ZTL promotes CO degradation by capturing FKF1 in the nucleus under these conditions. Collectively, our findings suggest that GI plays a pivotal role in CO stability for the precise control of flowering by coordinating balanced functional properties of FKF1 and ZTL.

Effect of the Bifunctional Chelate on the Biodistribution of 99mTc-labeled Cyclic RGD Peptide

  • Lee, Dong-Eun;Choi, Kang-Hyuk
    • 방사선산업학회지
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    • 제12권4호
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    • pp.355-363
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    • 2018
  • A novel $N_3S_1$ chelate, Pro-Lys-Cys (PKC) to cyclic RGD to radiolabel with $^{99m}Tc$ was conjugated in an effort to decrease the high intestinal accumulation observed for $^{99m}Tc$-labeled PGC-RGD. The target specificity of the resulting PKC-RGD was similar to that of PGC-RGD as determined by a cell binding assay and a competition binding assay. The $^{99m}Tc$ radiolabeling of PKC-RGD resulted in radiochemical yields of 98% under mild conditions at high specific activities. Biodistribution data in normal mice clearly showed a significant decrease in intestinal uptake at 2 h postinjection for the $^{99m}Tc-PKC-c$ (RGDyK) compared to the $^{99m}Tc-GC-c$ (RGDyK) (from $19.65%ID{\cdot}g^{-1}$ to $7.31%ID{\cdot}g^{-1}$ for the GI tract). The $^{99m}Tc-PKC-c$ (RGDyK) biodistribution was also shown by a higher retention of radioactivity in the whole body, but with kidney accumulation over 8-fold higher than observed with $^{99m}Tc-PGC-c$ (RGDyK) at 2 h ($12.62%ID{\cdot}g^{-1}$ for PKC-RGD and $1.54%ID{\cdot}g^{-1}$ for PGC-RGD, respectively). These results show that the biodistribution may be altered especially concerning lipophilicity resulting in renal rather than hepatobiliary excretion. This comparative study made it possible to explore the effects of lipophilicity on the biodistribution of $^{99m}Tc$-labeled c (RGDyK) through the use of different tripeptide $N_3S_1$ chelators. Therefore, $^{99m}Tc-PKC-c$ (RGDyK) may be an attractive alternative for the in vivo imaging of integrin receptors.

Characterization of Gel16 as a Cytochrome P450 in Geldanamycin Biosynthesis and in-silico Analysis for an Endogenous Electron Transport System

  • Rimal, Hemraj;Yu, Sang-Cheol;Lee, Byeongsan;Hong, Young-Soo;Oh, Tae-Jin
    • Journal of Microbiology and Biotechnology
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    • 제29권1호
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    • pp.44-54
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    • 2019
  • Geldanamycin and its derivatives, inhibitors of heat shock protein 90, are considered potent anticancer drugs, although their biosynthetic pathways have not yet been fully elucidated. The key step of conversion of 4,5-dihydrogeldanamycin to geldanamycin was expected to catalyze by a P450 monooxygenase, Gel16. The adequate bioconversions by cytochrome P450 mostly rely upon its interaction with redox partners. Several ferredoxin and ferredoxin reductases are available in the genome of certain organisms, but only a few suitable partners can operate in full efficiency. In this study, we have expressed cytochrome P450 gel16 in Escherichia coli and performed an in vitro assay using 4,5-dihydrogeldanamycin as a substrate. We demonstrated that the in silico method can be applicable for the efficient mining of convenient endogenous redox partners (9 ferredoxins and 6 ferredoxin reductases) against CYP Gel16 from Streptomyces hygroscopicus. The distances for ligand FDX4-FDR6 were found to be $9.384{\AA}$. Similarly, the binding energy between Gel16-FDX4 and FDX4-FDR6 were -611.88 kcal/mol and -834.48 kcal/mol, respectively, suggesting the lowest distance and binding energy rather than other redox partners. These findings suggest that the best redox partners of Gel16 could be NADPH ${\rightarrow}$ FDR6 ${\rightarrow}$ FDX4 ${\rightarrow}$ Gel16.

키토산 기반 분자 각인 고분자 필름의 슐린닥 흡착 및 방출 특성 (Adsorption and Release Characteristics of Sulindac on Chitosan-based Molecularly Imprinted Functional Polymer Films)

  • 윤연흠;윤순도;나재운;심왕근
    • 공업화학
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    • 제30권2호
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    • pp.233-240
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    • 2019
  • 분자인식기술은 특정 분자를 고분자 매트릭스에 각인시켜 특정 분자의 선택성을 높이는 기술로 관심을 받아왔다. 이 연구에서는 Sulindac (SLD)을 각인시킨 키토산 기반 약물 전달용 필름의 흡착 및 방출 특성을 가소제, 온도, pH를 변화시켜 실험하고 그 결과를 관련 모델식으로 해석하였다. SLD 각인 고분자 필름의 약물 흡착은 Freundlich와 Sips식이 Langmuir식보다 더 잘 설명되었고 binding site 에너지 분포 함수는 SLD와 고분자 필름 간의 흡착 특성관계를 이해하는데 유용하였다. 그리고 SLD 각인 고분자 필름의 약물 방출은 Fickian 확산 거동을 보인 반면, 인공피부조건에서는 non-Fickian 확산 거동을 따랐다.

Gold/Copper Bi-Metallic Catalysts by Carbothermal Method for CO2 Reduction

  • Yoon, Hee-chan;Jung, Woo-bin;Jung, Hee-Tae
    • 한국환경과학회:학술대회논문집
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    • 한국환경과학회 2019년도 정기학술대회 발표논문집
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    • pp.83-83
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    • 2019
  • Increasing the CO2 concentration in the atmosphere induce high temperature and rising sea levels. So the technology that capture and reuse of the CO2 have been recently become popular. Among other methods, CRR(CO22 reduction reaction) is typical method of CO2 reusing. Electrocatalyst can show more higher efficiencies in CRR than photocatalyst because it doesn't use nature source. Nowadays, finding high efficient electrocatalyst by controlling electronic (affected by stoichiometry) and geometric (affected by atomic arrangement) factors are very important issues. Mono-atomic electro-catalyst has limitations on controlling binding energy because each intermediate has own binding energy range. So the Multi-metallic electro-catalyst is important to stabilize intermediate at the same time. Carbon monoxide(CO) which is our target product and important feedstock of useful products. Au is known for the most high CO production metal. With copper, Not only gold/copper has advantages which is they have FCC packing for easily forming solid solution regardless of stoichiometry but also presence of adsorbed CO on Cu promotes the desorption of CO on Au because of strong repulsion. And gold/copper bi-metal catalyst can show high catalytic activity(mass activity) although it has low selectivity relatively Gold. Actually, multi-metallic catalyst structure control method is limited in the solution method which is takes a lot of time. In here, we introduce CTS(carbo thermal shock) method which is using heat to make MMNP in a few seconds for making gold-copper system. This method is very simple and efficient in terms of time(very short reaction time and using carbon substrate as a direct working electrode) and increasing reaction sites(highly dispersed and mixing alloy structures). Last one is easy to control degree of mixing and it can induce 5 or more metals in one alloy system. Gold/copper by CTS can show higher catalytic activity depending on metal ratio which is altered easily by changing simple variables. The ultimate goals are making CO2 test system by CTS which can check the selectivity depending on metal types in a very short time.

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분광 광도법에 의한 β-CD와 [Cu(Dien)(sub-Py)]2+이온간의 복합체 형성 상수 결정 (Determination of inclusion complex formation constants for the β-CD and [Cu(Dien)(sub-Py)]2+ ion by the spectrophotometric methods)

  • 김창석;오주영
    • 분석과학
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    • 제20권5호
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    • pp.406-412
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    • 2007
  • 분광 광도법을 이용하여 ${\beta}$-CD와 $[Cu(dien)(sub-py)]^{2+}$ 이온 간의 복합체 형성에 관한 연구를 하였다. ${\beta}$-CD와 $Cu^{2+}$ 착물이 복합체를 형성 할 때 ${\gamma}_{max}$은 리간드에 전자 주는기($CH_3$)가 치환 된 경우는 $^2T_2{\rightarrow}^2E$로 한 곳에서, 전자 끄는기(Cl)가 치환된 경우는 $^2T_2{\rightarrow}^2E$와 MLCT에 의하여 두 곳에서 나타났다. 형성상수는 온도가 올라가면 결합에너지의 감소로 작아졌다. 모든 반응은 엔트로피의 감소를 보였으나 큰 발열반응으로 자발적 반응이었다. 치환기 상수(${\sigma}_x$)에 따른 Hammett plot 결과 좋은 직선성(${\gamma}=0.996$)을 보여 형성상수를 정량적으로 설명할 수 있었다.

Bacillus anthracis Spores Influence ATP Synthase Activity in Murine Macrophages

  • Seo, Gwi-Moon;Jung, Kyoung-Hwa;Kim, Seong-Joo;Kim, Ji-Cheon;Yoon, Jang-Won;Oh, Kwang-Keun;Lee, Jung-Ho;Chai, Young-Gyu
    • Journal of Microbiology and Biotechnology
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    • 제18권4호
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    • pp.778-783
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    • 2008
  • Anthrax is an infectious disease caused by toxigenic strains of the Gram-positive bacterium Bacillus anthracis. To identify the mitochondrial proteins that are expressed differently in murine macrophages infected with spores of B. anthracis Sterne, proteomic and MALDI-TOF/MS analyses of uninfected and infected macrophages were conducted. As a result, 13 mitochondrial proteins with different expression patterns were discovered in the infected murine macrophages, and some were identified as ATP5b, NIAP-5, ras-related GTP binding protein B isoform CRAa, along with several unnamed proteins. Among these proteins, ATP5b is related to energy production and cytoskeletal rearrangement, whereas NIAP-5 causes apoptosis of host cells due to binding with caspase-9. Therefore, this paper focused on ATP5b, which was found to be down regulated following infection. The downregulated ATP5b also reduced ATP production in the murine macrophages infected with B. anthracis spores. Consequently, this study represents the first mitochondrial proteome analysis of infected macrophages.