• Title/Summary/Keyword: NEMO 3-D

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Atomistic simulation of surface passivated wurtzite nanowires: electronic bandstructure and optical emission

  • Chimalgi, Vinay U.;Nishat, Md Rezaul Karim;Yalavarthi, Krishna K.;Ahmed, Shaikh S.
    • Advances in nano research
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    • v.2 no.3
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    • pp.157-172
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    • 2014
  • The three-dimensional Nano-Electronic Modeling toolkit (NEMO 3-D) is an open source software package that allows the atomistic calculation of single-particle electronic states and optical response of various semiconductor structures including bulk materials, quantum dots, impurities, quantum wires, quantum wells and nanocrystals containing millions of atoms. This paper, first, describes a software module introduced in the NEMO 3-D toolkit for the calculation of electronic bandstructure and interband optical transitions in nanowires having wurtzite crystal symmetry. The energetics (Hamiltonian) of the quantum system under study is described via the tight-binding (TB) formalism (including $sp^3$, $sp^3s^*$ and $sp^3d^5s^*$ models as appropriate). Emphasis has been given in the treatment of surface atoms that, if left unpassivated, can lead to the creation of energy states within the bandgap of the sample. Furthermore, the developed software has been validated via the calculation of: a) modulation of the energy bandgap and the effective masses in [0001] oriented wurtzite nanowires as compared to the experimentally reported values in bulk structures, and b) the localization of wavefunctions and the optical anisotropy in GaN/AlN disk-in-wire nanowires.

Inhibition of Nemo-like Kinase Increases Taxol Sensitivity in Laryngeal Cancer

  • Dong, Ji-Rui;Guo, Nan;Zhao, Jian-Pu;Liu, Pin-Duo;Feng, Hui-Hong;Li, Yan
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.12
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    • pp.7137-7141
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    • 2013
  • Several studies have shown that nemo-like kinase (NLK) plays a vital role in apoptosis of cancer cells. The present research concerned effects and mechanisms of Taxol on NLK knockdown human laryngeal cancerHep-2 cell lines in vitro. Using RNAi, methyl-thiazoltetrazolium (MTT) assays, real-time RT-PCR, Western blotting and flow cytometry analysis, growth and the cell cycle progression of NLK knockdown Hep-2 cells and expression of downstream molecules were observed. Cell growth was obviously suppressed in the Taxol treated group (P<0.001, 48 hours). Cell numbers of combined Taxol-based chemotherapy with lentivirus mediated RNAi treatment group (Lv-shNLK+Taxol goup) were significantly different from NLK-specific siRNA lentivirus infected group (Lv-shNLK group) (p<0.001). Flow cytometry analysis revealed that Lv-shNLK+Taxol caused the G0/G1-phase DNA content to decrease from 44.1 to 3.33% (p<0.001) and the S-phase DNA content to increase from 38.4 to 82.0% (p<0.001), in comparison with the Lv-shNLK+Taxol group. Immunoblot analysis showed that knockdown of NLK led to significant reduction in the levels of cyclin D1, PCNA and PARP, whereas cyclin B1 was elevated in. Cell growth was also obviously suppressed in the Hep-2 cell line, knockdown of NLK making them more sensitive to Taxol treatment. NLK is expected to become a target of new laryngeal cancer gene therapies.

Genome-based Gene Expression Analysis of EGCG-mediated Cell Transformation Suppression Effect in Mouse Cell line Balb/c 3T3 A31-1-1 (마우스세포주 Balb/c 3T3 A31-1-1에서 Epigallocatechin gallate(EGCG)의 세포암화 억제효과에 대한 유전자발현 해석)

  • Jung, Ki-Kyung;Suh, Soo-Kyung;Kim, Tae-Gyun;Park, Moon-Suk;Lee, Woo-Sun;Park, Sue-Nie;Kim, Seung-Hee;Jung, Hai-Kwan
    • Environmental Mutagens and Carcinogens
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    • v.26 no.4
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    • pp.125-132
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    • 2006
  • Previous studies showed that epigallocatechin gallate(EGCG) have substantial effects of suppressing the N-methyl-N'-nitro-N-nitrosoguanidine(MNNG)-initiated cell transformation process on the bases of foci formation frequency and loss of anchorage dependency. In this study we tried to clarify the molecular mechanism of suppressing the cell transformation process. Mouse cell line balb/c 3T3 A31-1-1 was exposed 2 days to MNNG followed by 15 days 12-O-tetradecanoylphorbol-13-acetate(TPA) treatment for our transformation process. EGCG was added after the time point of 24 hours exposure to TPA and incubated for 19 days. 2029 genes were selected in our transformation process that showed fold change value of 1.5 or more in the microarray gene expression analysis covering the mouse full genome. These genes were found to be involved mainly in the cell cycle pathway, focal adhesion, adherens junction, TGE-$\beta$ signaling, apoptosis, lysine degradation, insulin signaling, ECM-receptor interaction. Among the genes, we focused on the 631 genes(FC>0.5) reciprocally affected by EGCG treatment. Our study suggest that EGCG down-regulate the gene expressions of up stream signaling factors such as nemo like kinase with MAPK activity and PI3-Kinase, Ras GTPase and down stream factors such as cyclin D1, D2, H, T2, cdk6.

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Global Ocean Data Assimilation and Prediction System in KMA: Description and Assessment (기상청 전지구 해양자료동화시스템(GODAPS): 개요 및 검증)

  • Chang, Pil-Hun;Hwang, Seung-On;Choo, Sung-Ho;Lee, Johan;Lee, Sang-Min;Boo, Kyung-On
    • Atmosphere
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    • v.31 no.2
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    • pp.229-240
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    • 2021
  • The Global Ocean Data Assimilation and Prediction System (GODAPS) in operation at the KMA (Korea Meteorological Administration) is introduced. GODAPS consists of ocean model, ice model, and 3-d variational ocean data assimilation system. GODAPS assimilates conventional and satellite observations for sea surface temperature and height, observations of sea-ice concentration, as well as temperature and salinity profiles for the ocean using a 24-hour data assimilation window. It finally produces ocean analysis fields with a resolution of 0.25 ORCA (tripolar) grid and 75-layer in depth. This analysis is used for providing a boundary condition for the atmospheric model of the KMA Global Seasonal Forecasting System version 5 (GloSea5) in addition to monitoring on the global ocean and ice. For the purpose of evaluating the quality of ocean analysis produced by GODAPS, a one-year data assimilation experiment was performed. Assimilation of global observing system in GODAPS results in producing improved analysis and forecast fields with reduced error in terms of RMSE of innovation and analysis increment. In addition, comparison with an unassimilated experiment shows a mostly positive impact, especially over the region with large oceanic variability.