• Title/Summary/Keyword: Functional molecules

Search Result 675, Processing Time 0.031 seconds

First-principles Study of MoS2 Nanostructures with Various Adsorbates

  • Cha, Janghwan;Sung, Dongchul;Hong, Suklyun
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2014.02a
    • /
    • pp.210.2-210.2
    • /
    • 2014
  • Recently, molybdenum disulfide (MoS2) nanostructures have been investigated for applications of lithium-ion batteries, solar cell, and gas sensors. In this regard, we have studied atomic and electronic properties of MoS2 nanostructures with adsorbed atoms and molecules using density functional theory calculations. Our calculations reveal that the several atoms such as H, C, N, and F are chemically bound to several sites on the two-dimensional (2D) MoS2 surface. On the other hand, various contamination molecules such as CO, CO2, NO, NO2, and NH3 do not bind to the surface. Next, adsorption of various molecules on the one-dimensional (1D) armchair MoS2 nanoribbon is investigated. Contrary to the case of 2D MoS2 monolayer surface, some molecules (CO and NO) are bound well to the edge of the MoS2 nanoribbon. We find that the molecular states due to adsorption are located near the Fermi level, which makes the band gap narrower. Therefore, we suggest that monolayer MoS2 nanoribbons be used as the gas sensors or detectors.

  • PDF

Identification of Novel Regulators of Apoptosis Using a High-Throughput Cell-based Screen

  • Park, Kyung Mi;Kang, Eunju;Jeon, Yeo-Jin;Kim, Nayoung;Kim, Nam-Soon;Yoo, Hyang-Sook;Yeom, Young Il;Kim, Soo Jung
    • Molecules and Cells
    • /
    • v.23 no.2
    • /
    • pp.170-174
    • /
    • 2007
  • High-throughput subcellular imaging is a powerful tool for investigating the function of genes. In order to identify novel regulators of apoptosis we transiently transfected HeLa cells with 938 hypothetical genes of unknown function, and captured their nuclear images with an automated fluorescence microscope. We selected genes that induced greater than 3-fold increase in the percentage of apoptotic nuclei compared with vector-transfected cells. The full-length genes C10orf61, MGC 26717, and FLJ13855 were identified as candidate proapoptotic genes, and their apoptotic effects were confirmed by DNA fragmentation ELISAs and Western blotting for caspase-7 and PARP. We conclude that a subcellular image-based apoptotic screen is useful for identifying genes with proapoptotic activity.

Structure of a Human Insulin Peptide-HLA-DQ8 Complex and Susceptibility to Type 1 Diabetes

  • Lee, Kon-Ho
    • Proceedings of the Korean Biophysical Society Conference
    • /
    • 2002.06b
    • /
    • pp.16-17
    • /
    • 2002
  • The major histocompatibility complex (MHC) is an important susceptibility locus for many human autoimmune diseases. The structural and functional properties of HLA-DR molecules that are associated with susceptibility to several autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis, have been defined.(omitted)

  • PDF

Theoretical Electronic Structure of PTCDA and PTCDI Molecules

  • Hyeon, Jeong-Min
    • Proceeding of EDISON Challenge
    • /
    • 2013.04a
    • /
    • pp.221-223
    • /
    • 2013
  • Self-assembly of the molecular system of perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) and the amide analogue (PTCDI) is of potential importance for organic semiconductor devices. Therefore we studied the density of states (DOS), the charge densities, and intermolacular bond lengths for PTCDA and PTCDI using the density functional theory calculations.

  • PDF

Basement Membrane Proteoglycans: Modulators Par Excellence of Cancer Growth and Angiogenesis

  • Iozzo, Renato V.;Zoeller, Jason J.;Nystrom, Alexander
    • Molecules and Cells
    • /
    • v.27 no.5
    • /
    • pp.503-513
    • /
    • 2009
  • Proteoglycans located in basement membranes, the nanostructures underling epithelial and endothelial layers, are unique in several respects. They are usually large, elongated molecules with a collage of domains that share structural and functional homology with numerous extracellular matrix proteins, growth factors and surface receptors. They mainly carry heparan sulfate side chains and these contribute not only to storing and preserving the biological activity of various heparan sulfate-binding cytokines and growth factors, but also in presenting them in a more "active configuration" to their cognate receptors. Abnormal expression or deregulated function of these proteoglycans affect cancer and angiogenesis, and are critical for the evolution of the tumor microenvironment. This review will focus on the functional roles of the major heparan sulfate proteoglycans from basement membrane zones: perlecan, agrin and collagen XVIII, and on their roles in modulating cancer growth and angiogenesis.

Incredible RNA: Dual Functions of Coding and Noncoding

  • Nam, Jin-Wu;Choi, Seo-Won;You, Bo-Hyun
    • Molecules and Cells
    • /
    • v.39 no.5
    • /
    • pp.367-374
    • /
    • 2016
  • Since the RNA world hypothesis was proposed, a large number of regulatory noncoding RNAs (ncRNAs) have been identified in many species, ranging from microorganisms to mammals. During the characterization of these newly discovered RNAs, RNAs having both coding and noncoding functions were discovered, and these were considered bifunctional RNAs. The recent use of computational and high-throughput experimental approaches has revealed increasing evidence of various sources of bifunctional RNAs, such as protein-coding mRNAs with a noncoding isoform and long ncRNAs bearing a small open reading frame. Therefore, the genomic diversity of Janusfaced RNA molecules that have dual characteristics of coding and noncoding indicates that the functional roles of RNAs have to be revisited in cells on a genome-wide scale. Such studies would allow us to further understand the complex gene-regulatory network in cells. In this review, we discuss three major genomic sources of bifunctional RNAs and present a handful of examples of bifunctional RNA along with their functional roles.

Madurahydroxylactone, an Inhibitor of Staphylococcus aureus FtsZ from Nonomuraea sp. AN100570

  • Kim, Bo-Min;Choi, Ha-Young;Kim, Geon-Woo;Zheng, Chang-Ji;Kim, Young-Ho;Kim, Won-Gon
    • Journal of Microbiology and Biotechnology
    • /
    • v.27 no.11
    • /
    • pp.1994-1998
    • /
    • 2017
  • FtsZ, a bacterial cell-division protein, is an attractive antibacterial target. In the screening for an inhibitor of Staphylococcus aureus FtsZ, madurahydroxylactone (1) and its related derivatives 2-5 were isolated from Nonomuraea sp. AN100570. Compound 1 inhibited S. aureus FtsZ with an $IC_{50}$ of $53.4{\mu}M$ and showed potent antibacterial activity against S. aureus and MRSA with an MIC of $1{\mu}g/ml$, whereas 2-5 were weak or inactive. Importantly, 1 induced cell elongation in the cell division phenotype assay, whereas 2-5 did not. It indicates that 1 exhibits its potent antibacterial activity via inhibition of FtsZ, and the hydroxyl group and hydroxylactone ring of 1 are critical for the activity. Thus, madurahydroxylactone is a new type of inhibitor of FtsZ.

Biomimetic MIP Terpene Sensors Adding Conductive Polymers (전도성 고분자가 첨가된 생체 모방형 분자 각인 고분자 테르펜 센서)

  • Jung, Jae-Hun;Lee, Sung-Pil
    • Journal of Sensor Science and Technology
    • /
    • v.21 no.5
    • /
    • pp.345-351
    • /
    • 2012
  • Biomimetic terpene sensors which have high sensitivity and stability have been fabricated using moleculary imprinted polymer (MIP) technology. Since it is impossible to make a resistive type sensor due to the high resistance of MIP, we improved the sensor by adding conductive polymers. We investigated the sensitivity of resistive type sensors with nano particles depending on the amount of conductive polymers. The MIP membrane contained the methacrylic acid as functional monomer and ethylene glycol dimethacrylate as cross linker, which formed specific cavities originated by the target terpene molecules. The mixture of MIP and the conductive polymer was coated on the patterns of interdigit electrodes on the alumina substrate. The fabricated sensors showed their highest specific sensitivities exposed to 500 ppm target gases : limonene 0.055 at 40% of amount of conductive polymers and geraniol $5.84{\times}10^{-4}$ at 20% of amount of conductive polymers. In conclusion, we found that the terpene sensors are affected by the target molecules, functional monomers and the conductive polymers.

Electron Beam Mediated Simple Synthetic Route to Preparing Layered Zinc Hydroxide

  • Bae, Hyo-Sun;Jung, Hyun
    • Bulletin of the Korean Chemical Society
    • /
    • v.33 no.6
    • /
    • pp.1949-1954
    • /
    • 2012
  • We have developed a novel and eco-friendly synthetic route for the preparation of a two-dimensional layered zinc hydroxide with intercalated nitrate anions. The layered zinc hydroxide nitrate, called 'zinc basic salt', was, in general, successfully synthesized, using an electron beam irradiation technique. The 2-propanol solutions containing hydrated zinc nitrate were directly irradiated with an electron-beam at room temperature, under atmospheric conditions, without stabilizers or base molecules. Under electron beam irradiation, the reactive OH radicals were generated by radiolysis of water molecules in precursor metal salts. After further radiolytic processes, the hydroxyl anions might be formed by the reaction of solvated electrons and the OH radical. Finally, the $Zn_5(OH)_8(NO_3)_2{\cdot}2H_2O$ was precipitated by the reaction of zinc cation and hydroxyl anions. Structure and morphology of obtained compounds were characterized by powder X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and high resolution transmission electron microscopy (HR-TEM). The chemical components of the products were determined by Fourier transform infrared spectroscopy (FT-IR) and elemental analysis (EA). The thermal behavior of products was studied by thermogravimetric (TG) and differential thermal analysis (DTA).