• Biomolecules & Therapeutics
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• 제18권4호
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• pp.375-385
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• 2010

Conventional cancer chemotherapy is seriously limited by tumor cells exhibiting multidrug resistance (MDR), which is caused by changes in the levels or activity of membrane transporters that mediate energy-dependent drug efflux and of proteins that affect drug metabolism and/or drug action. Cancer scientists and oncologists have worked together for some time to understand anticancer drug resistance and develop pharmacological strategies to overcome such resistance. Much focus has been on the reversal of the MDR phenotype by inhibition of ATP-binding cassette (ABC) drug transporters. ABC transporters are a family of transporter proteins that mediate drug resistance and low drug bioavailability by pumping various drugs out of cells at the expense of ATP hydrolysis. Many inhibitors of MDR transporters have been identified, and though some are currently undergoing clinical trials, none are in clinical use. Herein, we briefly review the status of MDR in human cancer, explore the pathways of MDR in chemotherapy, and outline recent advances in the design and development of MDR modulators.

• 대한화학회지
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• 제34권6호
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• pp.539-547
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• 1990

DNA base인, Adenine, Guanine 그리고 Cytosine과 diaminecytosineplatinum(DCP)의 상호작용을 SC-MEH 방법에 의하여 계산한 결과, DNA base와 DCP 결합력의 크기는 guanine > adenine > cytosine임을 알 수 있었고, cis-백금(II)착물이 trans-백금(II) 착물보다 안정화에너지가 더 크게 나타남을 adenine-DCP 착물계에서 볼 수 있었다. DNA bases ring의 atomic charge는 백금(II)착물의 배위에 의해 많은 charge 변화가 있음을 관찰하였고, 이 효과에 의하여 백금(II)착물의 항암성 메카니즘을 설명할 수 있었다.

• The Korean Journal of Ceramics
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• 제1권4호
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• pp.209-213
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• 1995

The electrical conductivity was investigated in two series of alkali aluminosilicate glass melts, $25R_2O(R: Na and K)-xAl2O3-(75-x)SiO_2$ at temperatures ranging from 1000 to 140$0^{\circ}C$. The dependences of conductivity or activation energy on $Al_2O_3/R_2O$ of both series in the molten state showed a same behavior. These results in the molten state were compared with previous studies for sodium alkali aluminosilicate glasses in the molten and solid state, and explained in terms of the binding state: $[-O]-R^+\; and\; [AlO_4]-R^+$.

• 한국전기전자재료학회논문지
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• 제27권3호
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• pp.146-150
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• 2014

As a method of simple patterning of transparent conductive oxide (TCO) films deposited on flexible substrates, laser direct etching was carried out on TCO films sputtered on polycarbonate (PC) substrates. As a result of different binding energies in TCO films, indium tin oxide (ITO) and indium gallium zinc oxide (IGZO) were more easily etched than zinc oxide with different $Nd:YVO_4$ laser beam conditions.

• Bulletin of the Korean Chemical Society
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• 제28권2호
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• pp.241-245
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• 2007

The electronic structures of the new organic conducting salts, the β'- and β''-phases of (BEDT-TTF)2[(IBr2)0.2(BrICl)0.1(ICl2)0.7], were examined by calculating their electronic band structures, Fermi surfaces and HOMO-HOMO interaction energies using the extended Huckel tight binding method. On the basis of these calculations, we probed why the β'-phase is semiconducting while the β ''-phase is metallic.

• 한국염색가공학회지
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• 제25권3호
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• pp.153-158
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• 2013

In this study, pyrene based chemosensor was synthesized by two step reaction. The chemosensor showed that high selectivity toward fluoride in DMSO. The fluorescence intensity was drastically increased by binding between chemosensor and fluoride ion. Absorption and fluorescence spectra were obtained by UV-Vis spectrometer and fluorescence spectrophotometer. The binding ratio between chemosensor and fluoride ion was also investigated by job's plot method and Benesi-Hildebrand plot. The HOMO/LUMO energy levels and electron distribution were calculated and simulated by Material studio 6.0 Package.

• Bulletin of the Korean Chemical Society
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• 제22권11호
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• pp.1248-1254
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• 2001

The conformations and energies of p-tert-butylcalix[4]crown-6-ether (1) and its alkyl ammonium complexes have been calculated by ab initio HF/6-31G quantum mechanics method. The cone conformation was found to be most stable for free host 1. We hav e determined the binding site of these host-guest complexes focusing on the crown-6-ether or p-tert-butylcalix[4]arene pocket of the cone conformation of host molecule 1. The primary binding site of host 1 for the recognition of alkyl ammonium guests was confirmed to be the central part of the crown moiety of cone conformation. The complexation energy calculations revealed that the ammonium cation without alkyl group showed the highest complexation efficiency when combined with host 1, that is in satisfactory agreement with the experimental results.

• Journal of Industrial and Engineering Chemistry
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• 제67권
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• pp.293-300
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• 2018

Lipocalins are diverse group of small extracellular proteins found in various organisms. In this study, members of 10 non-homologous lipocalin-ligand crystal complex structures were remodeled using rigid and flexible ligand modes to validate the prediction efficiency of molecular docking simulation. The modeled ligand conformations indicated a high prediction accuracy in rigid ligand mode using cluster based analysis for most cases whereas the flexible ligand mode required further considerations such as ligand binding energy and RMSD for some cases. This in silico study is expected to serve as a platform in the screening of novel ligands against lipocalin family of proteins.

• Progress in Superconductivity
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• 제10권2호
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• pp.69-73
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• 2009

For extraction of the self-energy from the angle resolved photoemission spectroscopy(ARPES) experiments for the cuprate superconductors, the momentum distribution curve(MDC) analysis is commonly used. There are two requirements for this method to work: the self-energy is momentum independent and the bare electron dispersion is known. Assuming that the first condition is satisfied in the cuprates, we checked the effects of the bare dispersion on the extracted self-energy. For this, we first generated the ARPES intensity using the tight-binding band of the B2212 by solving the Eliashberg equation. We then extracted the self-energy from the theoretically generated ARPES intensity using the linear and quadratic dispersions. By choosing the bare dispersion such that the Kramer-Kronig relation is best satisfied between the real and imaginary parts of the extracted self-energy, we confirmed that the quadratic dispersion is better for the bare electron band for Bi2212. The self-energy can be reasonably extracted from the ARPES experiments using the MDC analysis.

• 청정기술
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• 제21권3호
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• pp.200-206
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• 2015

산화세륨의 첨가가 수성가스전이반응 효율에 미치는 영향을 조사하기 위해서, Cu-ZnO-CeO₂촉매를 공침법을 사용하여 제조하였다. 일련의 Cu-ZnO-CeO₂ 촉매는 Cu 함량(50 wt%)을을 고정시키고 산화세륨(CeO₂ 기준으로, 0, 5, 10, 20, 30, 40 wt%)의 함량을 조절하면서 제조되었고 이를 이용하여 GHSV 95,541 h^-1의 기체 유량범위, 200~400 ℃의 온도범위에서 수성가스전이반응 촉매활성이 측정되었다. 또한, BET, SEM, XRD, H₂-TPR, XPS 분석을 통하여 촉매특성이 분석되었다. CeO₂가 첨가된 촉매는 구리 분산도와 결합에너지 같은 촉매특성의 다양한 변화를 나타내었다. 10wt%의 CeO₂가 최적의 첨가량으로 판단되며 이때 촉매는 가장 낮은 온도에서 환원이 일어났으며 반응에서 가장 높은 촉매 활성을 보였다. 또한 CeO₂가 첨가된 촉매는 CeO₂가 첨가되지 않는 촉매와 비교하여 높은 온도영역에서 활성이 향상되었다. 따라서, 최적 조성의 CeO₂첨가는 높은 구리 분산도, 낮은 결합에너지, 구리 금속의 응집 방지를 유도하여 높은 촉매활성을 유도하였다.