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Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99mTc-MDP

  • Qiu, Ling;Lin, Jian-Guo;Gong, Xue-Dong;Ju, Xue-Hai;Luo, Shi-Neng
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2358-2368
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    • 2011
  • Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.

Evaluation and Comparison of Nanocomposite Gate Insulator for Flexible Thin Film Transistor

  • Kim, Jin-Su;Jo, Seong-Won;Kim, Do-Il;Hwang, Byeong-Ung;Lee, Nae-Eung
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.278.1-278.1
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    • 2014
  • Organic materials have been explored as the gate dielectric layers in thin film transistors (TFTs) of backplane devices for flexible display because of their inherent mechanical flexibility. However, those materials possess some disadvantages like low dielectric constant and thermal resistance, which might lead to high power consumption and instability. On the other hand, inorganic gate dielectrics show high dielectric constant despite their brittle property. In order to maintain advantages of both materials, it is essential to develop the alternative materials. In this work, we manufactured nanocomposite gate dielectrics composed of organic material and inorganic nanoparticle and integrated them into organic TFTs. For synthesis of nanocomposite gate dielectrics, polyimide (PI) was explored as the organic materials due to its superior thermal stability. Candidate nanoprticles (NPs) of halfnium oxide, titanium oxide and aluminium oxide were considered. In order to realize NP concentration dependent electrical characteristics, furthermore, we have synthesized the different types of nanocomposite gate dielectrics with varying ratio of each inorganic NPs. To analyze gate dielectric properties like the capacitance, metal-Insulator-metal (MIM) structures were prepared together with organic TFTs. The output and transfer characteristics of organic TFTs were monitored by using the semiconductor parameter analyzer (HP4145B), and capacitance and leakage current of MIM structures were measured by the LCR meter (B1500, Agilent). Effects of mechanical cyclic bending of 200,000 times and thermally heating at $400^{\circ}C$ for 1 hour were investigated to analyze mechanical and thermal stability of nanocomposite gate dielectrics. The results will be discussed in detail.

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A Study on Characteristics of Temperature and Radicals in Laminar Non-premixed H2/N2 Flame Using LIPF and LRS (레이저 유도 선해리 형광법과 래일레이 산란법에 의한 층류 비예혼합 수소/질소 화염의 온도 및 라디칼 특성에 관한 연구)

  • Jin, Seong Ho;Park, Kyoung Suk;Kim, Gun Hong;Kim, Gyung Soo
    • Transactions of the Korean hydrogen and new energy society
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    • v.13 no.3
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    • pp.169-180
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    • 2002
  • Rayleigh scattering and laser induced predissociative fluorescence are used to obtain two-dimensional images of temperature and species concentration in a laminar non-premixed flame of a diluted hydrogen jet. Rayleigh scattering cross-sections are experimentally obtained at 248nm. Planar images of OH and $O_2$ with tunable KrF excimer laser which has a) $0.5cm^{-1}$ linewidth, b) 0.5nm tuning range, c) 150mJ pulse energy, and d) 20ns pulse width are obtained to determine spatial distributions of OH and $O_2$. The technique is based on planar laser induced predissociative fluorescence (PLIPF) in which collisional quenching is almost avoided because of the fast predissociation. Dispersed LIPF spectra of OH and $O_2$ are also measured in a flame in order to confirm the excitation of single vibronic state of OH and $O_2$. OH and $O_2$ are excited on the $P_2$(8) and $Q_1$(11) line of the $A^2{\Sigma}^{+}({\nu}^{'}=3)-X^{2}{\Pi}({\nu}^{''}=o)$ band and R(17) line of the Schumann-Runge band $B^{3}{\Sigma}_{u}{^-}(\nu^{'}=0)-X^{3}{\Sigma}_{g}{^-}({\nu}^{''}=6)$, respectively. Fluorescence spectra of OH and Hot $O_2$ are captured and two-dimensional images of the hydrogen flame field are successfully visualized.

Experimental Study on Development of Air Leakage Model and Performance Characteristics of a Desiccant Rotor (제습로터의 공기누설모델 개발 및 성능 특성에 관한 실험적 연구)

  • Kang, Byung-Ha;Pi, Chang-Hun;Chang, Young-Soo
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.36 no.1
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    • pp.37-45
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    • 2012
  • This study investigates the pressure leakage characteristics of a desiccant rotor with a brush-type air seal. Through a pressure leakage experiment, a correlation equation for the leakage air flow rate is obtained as a function of the air seal area and pressure difference. Using this equation, an air leakage model for the desiccant rotor is developed. By comparing simulation results with the experimental results for the desiccant rotor, the accuracy of the air leakage model is demonstrated. A performance test of a desiccant rotor with various air flow rates is carried out. Using the air leakage model, the effective mass flow rate and air leakage rate are found. In addition, the characteristics of the air leakage are analyzed for a desiccant cooling system using the developed air leakage model.

Lipoteichoic Acid Isolated from Lactobacillus plantarum Inhibits Melanogenesis in B16F10 Mouse Melanoma Cells

  • Kim, Hye Rim;Kim, Hangeun;Jung, Bong Jun;You, Ga Eun;Jang, Soojin;Chung, Dae Kyun
    • Molecules and Cells
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    • v.38 no.2
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    • pp.163-170
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    • 2015
  • Lipoteichoic acid (LTA) is a major component of the cell wall of Gram-positive bacteria. Its effects on living organisms are different from those of lipopolysaccharide (LPS) found in Gram-negative bacteria. LTA contributes to immune regulatory effects including anti-aging. In this study, we showed that LTA isolated from Lactobacillus plantarum (pLTA) inhibited melanogenesis in B16F10 mouse melanoma cells. pLTA reduced the cellular activity of tyrosinase and the expression of tyrosinase family members in a dose-dependent manner. The expression of microphthalmia- associated transcription factor (MITF), a key factor in the synthesis of melanin, was also decreased by pLTA. Further, we showed that pLTA activated melanogenesis signaling, such as extracellular signal-regulated kinase (ERK) and phosphatidylinositol 3-kinse (PI3K)/AKT. In addition, the expression of heterogeneous nuclear ribonucleoprotein A1 (hnRNP A1) and HuR, which are important RNA-binding proteins (RBPs), was reduced. pLTA likely degrades MITF via regulation of melanogenic signaling and RNA stability of melanogenic proteins, resulting in the reduction of melanin. Thus, our data suggest that pLTA has therapeutic potential for treating hyperpigmentation disorders and can also be used as a cosmetic whitening agent.

Performance Analysis of Spread Spectrum Underwater Communication Method Based on Multiband (다중 밴드 기반 대역 확산 수중통신 기법 성능분석)

  • Shin, Ji-Eun;Jeong, Hyun-Woo;Jung, Ji-Won
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.13 no.5
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    • pp.344-352
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    • 2020
  • Covertness and performance are very important design goals in the underwater communications. To satisfy both of them, we proposed efficient underwater communication model which combined multiband and direct sequence spread spectrum method in order to improve performance and covertness simultaneously. Turbo coding method with 1/3 coding rates is used for channel coding algorithm, and turbo equalization method which iterately exchange probabilistic information between equalizer and decoder is used for receiver side. After optimal threshold value was set in Rake processing, this paper analyzed the performance by varying the number of chips were 8, 16, 32 and the number of bands were from 1 to 4. Through the simulation results, we confirmed that the performance improvement was obtained by increasing the number of bands and chips. 2~3 dB of performance gain was obtained when the number of chips were increased in same number of bands.

Electrical Properties by Effect of Metal Complex of G4-48PyP Dendritic Macromolcules Thin Films (G4-48PyP 덴드리틱 거대분자 박막의 금속이온 착체에 의한 전기적 특성)

  • Son, J.H.;Jung, S.B.;Kim, B.S.;Park, T.C.;Kwon, Y.S.
    • Proceedings of the KIEE Conference
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    • 2002.11a
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    • pp.16-18
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    • 2002
  • We attempted to fabricate a dendrimer Langmuir-Blodgett(LB) films containing 48 pyridinepropanol functional end group. As the pyridinepropanol functional group could form a complex structure with metal ions. In this study the samples for electrical measurement were fabricated to two types metal complexes with $Pt^{4+}$ and $Fe^{2+}$ ions by LB method. And we have investigated the surface activity at the air-water interface as well as the electrical properties for the monolayers of pure G4-48PyP dendrimer and its complex with metal ions($Pt^{4+}$ and $Fe^{2+}$ ions). In the surface pressure-area($\pi-A$) isotherms of the dendrimers, the stable condensed films formed at the air-water interface and the metal ions effect showed the difference on molecular behavior. We have studied the electrical properties of the ultra thin dendrimer LB films investigated by the current-voltage(I-V) characteristics of metal/dendrimer LB films/metal(MIM) structure. In conclusion, it is demonstrated that the metal ion around G4-48PyP dendrimer can contribute to make formation of network structure among dendrimers and it result from the change of electrical properties.

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Suppression of Protein Kinase C and Nuclear Oncogene Expression as Possible Action Mechanisms of Cancer Chemoprevention by Curcumin

  • Lin, Jen-Kun
    • Archives of Pharmacal Research
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    • v.27 no.7
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    • pp.683-692
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    • 2004
  • Curcumin (diferuloylmethane) is a major naturally-occurring polyphenol of Curcuma species, which is commonly used as a yellow coloring and flavoring agent in foods. Curcumin has shown anti-carcinogenic activity in animal models. Curcumin possesses anti-inflammatory activity and is a potent inhibitor of reactive oxygen-generating enzymes such as lipoxygenase/cyclooxygenase, xanthine dehydrogenase/oxidase and inducible nitric oxide synthase; and an effective inducer of heme oxygenase-1. Curcumin is also a potent inhibitor of protein kinase C(PKC), EGF(Epidermal growth factor)-receptor tyrosine kinase and LĸB kinase. Subsequently, curcumin inhibits the activation of NF(nucleor factor)KB and the expressions of oncogenes including c-jun, c-fos, c-myc, NIK, MAPKs, ERK, ELK, PI3K, Akt, CDKs and iNOS. It is proposed that curcumin may suppress tumor promotion through blocking signal transduction path-ways in the target cells. The oxidant tumor promoter TPA activates PKC by reacting with zinc thiolates present within the regulatory domain, while the oxidized form of cancer chemopreventive agent such as curcumin can inactivate PKC by oxidizing the vicinal thiols present within the catalytic domain. Recent studies indicated that proteasome-mediated degradation of cell proteins playa pivotal role in the regulation of several basic cellular processes including differentiation, proliferation, cell cycling, and apoptosis. It has been demonstrated that curcumin-induced apoptosis is mediated through the impairment of ubiquitin-proteasome pathway. Curcumin was first biotransformed to dihydrocurcumin and tetrahydrocurcumin and that these compounds subsequently were converted to monoglucuronide conjugates. These results suggest that curcumin-glucuronide, dihydrocurcumin-glucuronide, tetrahydrocurcumin-glucuronide and tetrahydrocurcumin are the major metabolites of curcumin in mice, rats and humans.

Porphyra tenera induces apoptosis of oral cancer cells (구강암 세포주에서 김 추출물에 의한 세포자멸사 유도)

  • Kim, Sang Chan;Lee, Jong Rok;Park, Sook Jahr
    • The Korea Journal of Herbology
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    • v.30 no.2
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    • pp.25-30
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    • 2015
  • Objectives : Laver (Porphyra tenera), a red algae species, is one of the most widely consumed edible seaweed in Korea. Laver contains various substances such as essential amino acid, fiber, minerals and polyphenols that benefit human health. In the present study, we prepared ethanol extracts from commercially processed product of Porphyra tenera, and evaluated the growth inhibitory effect against human oral squamous carcinoma YD-10B cells. Methods : Cell viability was measured by MTT assay. Apoptosis was confirmed by TUNEL assay and flow cytometry with the green fluorescent dye FITC annexin V entering apoptotic cells and the red fluorescent dye PI not entering. The expression of the relevant proteins was detected using Western blot. Results : Ethanol extracts of Porphyra tenera (PTE, $50-200{\mu}g/m{\ell}$) caused a significant decrease of cell viability in a dose dependant manner. The cell death occurred as a result of apoptotic process as determined by TUNEL assay and flow cytometric analysis. In line with this observation, decrease in procaspase proteins and increase in cytosolic cytochrome c were observed in cells treated with PTE. In addition, exposure to PTE decreased the expression levels of Bcl-2, and induced PARP cleavage and AIF translocation from mitochondria to nucleus. Conclusions : In conclusion, PTE exerts anti-cancer effects by inducing apoptosis via caspase activation and AIF nuclear translocation in YD-10B cells. These results provide evidence for the possible therapeutic effect of Porphyra tenera in oral cancer cells.

Recent progress (2015-2020) in the investigation of the pharmacological effects and mechanisms of ginsenoside Rb1, a main active ingredient in Panax ginseng Meyer

  • Lin, Zuan;Xie, Rongfang;Zhong, Chenhui;Huang, Jianyong;Shi, Peiying;Yao Hong
    • Journal of Ginseng Research
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    • v.46 no.1
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    • pp.39-53
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    • 2022
  • Ginsenoside Rb1 (Rb1), one of the most important ingredients in Panax ginseng Meyer, has been confirmed to have favorable activities, including reducing antioxidative stress, inhibiting inflammation, regulating cell autophagy and apoptosis, affecting sugar and lipid metabolism, and regulating various cytokines. This study reviewed the recent progress on the pharmacological effects and mechanisms of Rb1 against cardiovascular and nervous system diseases, diabetes, and their complications, especially those related to neurodegenerative diseases, myocardial ischemia, hypoxia injury, and traumatic brain injury. This review retrieved articles from PubMed and Web of Science that were published from 2015 to 2020. The molecular targets or pathways of the effects of Rb1 on these diseases are referring to HMGB1, GLUT4, 11β-HSD1, ERK, Akt, Notch, NF-κB, MAPK, PPAR-γ, TGF-β1/Smad pathway, PI3K/mTOR pathway, Nrf2/HO-1 pathway, Nrf2/ARE pathway, and MAPK/NF-κB pathway. The potential effects of Rb1 and its possible mechanisms against diseases were further predicted via Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway and disease ontology semantic and enrichment (DOSE) analyses with the reported targets. This study provides insights into the therapeutic effects of Rb1 and its mechanisms against diseases, which is expected to help in promoting the drug development of Rb1 and its clinical applications.