• Bulletin of the Korean Chemical Society
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• 제35권7호
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• pp.2086-2092
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• 2014

Two novel coordination compounds $[Cu_2(pypya)_3(H_2O)_2]{\cdot}Cl{\cdot}(H_2O)_5$ (1) and $\{[Cd(pypya)(ta)_{1/2}]{\cdot}H_2O\}_n$ (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, $H_2ta$=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and ${\pi}-{\pi}$ interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

• 폴리머
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• 제26권4호
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• pp.445-451
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• 2002

본 연구에서는 실리카의 표면처리를 위해 실란 커플링제인, ${\gamma}$-methacryloxy propyl trimethoxy silane (MPS), ${\gamma}$-glycidoxy propyl trimethoxy silane (GPS), and ${\gamma}$-mercapto propyl trimethoxy silane (MCPS) 등을 사용하여 실리카 흡착특성과 기계적 계면물성에 대하여 고착하였다. 실란처리에 따른 실리카의 평형 확산압력, 표면 자유에너지, 비표면적을 BET법을 이용한 $N_2$/77 K 기체 흡착을 통하여 알아보았다. 본 실험결과 신란처리에 의해 실리카 표면에 도입된 비극성 관능기로 인해 실리카의 비표면적, 평형 확산압력, 표면 자유에너지의 비극성 요소가 증가하였으며 결과적으로 실리카/고무 복합재료의 기계적 계면 물성인 tearing energy ($G_{mc}$)가 향상되었음을 확인할 수 있었다. 그리고 MPS로 표면처리한 경우가 GPS, MCPS에 비해서 우수한 기계적 계면물성을 나타남을 관찰할 수 있었다.

• 대한화학회지
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• 제53권3호
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• pp.266-271
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• 2009

고체 화합물 La7Os4C9 속에 있는 [Os4C9]21‑ 사슬의 전자구조와 화학결합을 extended Hückel 계산 결과에 의해서 논의하였다. 탄소 원자는 물론 (C2)2‑ 분자의 결합 특성은 비교적 큰 Os-C 상호작용을 나 타내었고 특히 (C2)2‑ 분자의 결합길이 증가는 Fermi level 바로 아래에 Os-C2(1 πg) 결합 밴드의 존재로 인 해서 반결합 1πg 오비탈에 부분적인 전자점유가 일어나기 때문인 것으로 해석된다.

• Bulletin of the Korean Chemical Society
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• 제25권9호
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• pp.1314-1320
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• 2004

The adsorption and configuration of CO molecules adsorbed on W (110) and W (100) surfaces have been calculated by the atomic superposition and electron delocalization molecular orbital (ASED-MO) method. Referred to as the ASED-MO method, it has been used in the present study to calculate the geometries, binding energies, vibrational frequencies, orbital energies, reduced overlap population (ROP), and charges. From these results adsorption properties of ${\alpha}$-state and ${\beta}$-state were deduced. The calculated binding energies are in good agreement with the experimental result. On the W (110), the calculated average binding energies are 2.56 eV for the end-on configuration and 3.20 eV for the lying-down configuration. Calculated vibrational frequency is 1927 $cm^{-1}$ at a 1-fold site and 1161 $cm^{-1}$ at a long-bridge (2) site. These results are in reasonable agreement with experimental values. On the W(100) surface, calculated average binding energies of the end-on and the lying-down are 2.54 eV and 4.02 eV respectively. The differences for binding energy and configuration on the surfaces are explained on the basis of surface-atom coordination and atom-atom spacing. In the favored lyingdown CO configuration on the W(110) and W(100) surfaces, 4 ${\sigma}$ and 1 ${\pi}$ donation interactions, coupled with the familiar 5 ${\sigma}$ donation to the surfaces and back-donations to the CO 2 ${\pi}^{\ast}$ orbital, are responsible for adsorption to the surface.

• 멤브레인
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• 제5권2호
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• pp.89-96
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• 1995

Azobenzene기를 가지는 인산형 양친매성 화합물의 기/액 계면에 있어서으 단분자막 거동이 $\pi-A$ 곡선 및 표면흡수스펙트라로 검토되었다. 분자간의 강한 수소결합력을 가지는 이 화합물들은 수면에 전개 후 즉시 결정화하여 단분자막 domain들을 형성한 회합체 흡수스펙트라를 나타내었다. 그러나 subphase의 조건(분자량이 큰 유가염의 첨가 및 pH의 상승)을 변화시킴에 의해 결정 domain 형성을 제어하는 것이 가능하였다. 한편, 금속이온 첨가는 인산령 양친매성 단분자막의 분재배향상태를 변화시켰다. 금속이온의 전하가 높을수록 ($1\leq2$ < 3 < 4 가), azobenzene기를 가지는 양친매성 화합물의 분자상태가 tilt된 배향성에 기인하는 장파장으로 이동한 흡수극대를 나타내었다. 이것은 서로 다른 전하를 가진 금속이온을 흡착시킴에 의해 단분자막의 분자배향성을 변화시켜, 단분자막의 집합상태 제어 가능성을 시사한다.

• Journal of Microbiology and Biotechnology
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• 제32권3호
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• pp.365-377
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• 2022

Mammalian target of rapamycin (mTOR) is a serine-threonine kinase member of the cellular phosphatidylinositol 3-kinase (PI3K) pathway, which is involved in multiple biological functions by transcriptional and translational control. mTOR is a downstream mediator in the PI3K/Akt signaling pathway and plays a critical role in cell survival. In cancer, this pathway can be activated by membrane receptors, including the HER (or ErbB) family of growth factor receptors, the insulin-like growth factor receptor, and the estrogen receptor. In the present work, we congregated an electronic network of mTORC1 built on an assembly of data using natural language processing, consisting of 470 edges (activations/interactions and/or inhibitions) and 206 nodes representing genes/proteins, using the Cytoscape 3.6.0 editor and its plugins for analysis. The experimental design included the extraction of gene expression data related to five distinct types of cancers, namely, pancreatic ductal adenocarcinoma, hepatic cirrhosis, cervical cancer, glioblastoma, and anaplastic thyroid cancer from Gene Expression Omnibus (NCBI GEO) followed by pre-processing and normalization of the data using R & Bioconductor. ExprEssence plugin was used for network condensation to identify differentially expressed genes across the gene expression samples. Gene Ontology (GO) analysis was performed to find out the over-represented GO terms in the network. In addition, pathway enrichment and functional module analysis of the protein-protein interaction (PPI) network were also conducted. Our results indicated NOTCH1, NOTCH3, FLCN, SOD1, SOD2, NF1, and TLR4 as upregulated proteins in different cancer types highlighting their role in cancer progression. The MCODE analysis identified gene clusters for each cancer type with MYC, PCNA, PARP1, IDH1, FGF10, PTEN, and CCND1 as hub genes with high connectivity. MYC for cervical cancer, IDH1 for hepatic cirrhosis, MGMT for glioblastoma and CCND1 for anaplastic thyroid cancer were identified as genes with prognostic importance using survival analysis.

• Journal of Photoscience
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• 제10권1호
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• pp.127-148
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• 2003

Zeolite is a porous highly interactive matrix. Zeolitic cations help to generate triplets from molecules that possess poor intersystem crossing efficiency. Certain zeolites act as electron acceptors and thus can spontaneously generate radical cations. Zeolites also act as proton donors and thus yield carbocations without any additional reagents. These reactive species, radical cations and carbocations, have long lifetime within a zeolite and thus lend themselves to be handled as ‘regular’ chemicals. Internal structure of zeolites is studded with cations, the counter-ions of the anionic framework. The internal constrained structure and the cations serve as handles for chemists to control the behavior of guest molecules included within zeolites.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1994년도 추계학술대회 논문집
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• pp.198-201
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• 1994

Stability improvement of fragile LB films was attempted by polyion complexation of monolayers at the air-water interface and crosslinking of the resulting LB films. The spreading polymers were synthesized by radical copolymerization of monoalkyl itaconate with oligoethyleneglycol methyl vinylether, and poly(allylamine) was employed as the subphase polymer. Formation and characteristic of the monolayers were comfirmed by surface pressure-area($\pi$-A) isotherms. The two different polymers formed polyion-complexed monolayer through the formation of carboxylate/ammonium salt at the air-water interface. Y-type deposition occurred on solid substrates, and the transfer ratio was over 0.7. Pores (diameter, 0.1$\mu\textrm{m}$) of a membrane filter could be covered by polyion-complexed 6 layers. Interactions of the polymers with metal ions were investigated of the air-water interface and in the LB films. The structure change and macroscope morphology of the LB films were confirmed by FT-lR and SEM, respective1y.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.610-616
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• 2014

The influence of solvent polarity on the absorption spectra of some synthesized azo dye with heterocyclic moieties and ${\beta}$-naphthol (1-3) have been investigated using a UV-Visible spectrophotometer. The spectral characteristics of the azo dyes (1-3) in different solvents at room temperature were analyzed. The solvatochromic empirical variables like ${\pi}^*$, ${\alpha}$, and ${\beta}$ have been used to discuss the solvatochromic behaviour of the dyes and to evaluate their contributions to the solute-solvent interactions. A multi-parameter regression model for quantitative assessment of the solute/solvent interaction and the absorption has been used to explain the solvent effect on azo dyes (1-3).

• Journal of Microbiology and Biotechnology
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• 제31권2호
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• pp.171-180
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• 2021

Caffeine, a methylxanthine analog of purine bases, is a compound that is largely consumed in beverages and medications for psychoactive and diuretic effects and plays many beneficial roles in neuronal stimulation and enhancement of anti-tumor immune responses by blocking adenosine receptors in higher organisms. In single-cell eukaryotes, however, caffeine somehow impairs cellular fitness by compromising cell wall integrity, inhibiting target of rapamycin (TOR) signaling and growth, and overriding cell cycle arrest caused by DNA damage. Among its multiple inhibitory targets, caffeine specifically interacts with phosphatidylinositol 3-kinase (PI3K)-related kinases causing radiosensitization and cytotoxicity via specialized intermediate molecules. Caffeine potentiates the lethality of cells in conjunction with several other stressors such as oxidants, irradiation, and various toxic compounds through largely unknown mechanisms. In this review, recent findings on caffeine effects and cellular detoxification schemes are highlighted and discussed with an emphasis on the inhibitory interactions between caffeine and its multiple targets in eukaryotic microorganisms such as budding and fission yeasts.