• Title/Summary/Keyword: Molecular structures

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Isolation of Flavonoids from Processed Aconiti Tuber

  • Lyu, Ha-Na;Kwak, Ho-Young;Lee, Dae-Young;Kim, Kyong-Tai;Kim, Se-Young;Baek, Nam-In
    • Journal of Applied Biological Chemistry
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    • v.51 no.4
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    • pp.165-168
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    • 2008
  • A processed Aconiti tuber (Korean name, Kyeong-Po Buja) was extracted with 80% aqueous EtOH, and the concentrated extract was partitioned with EtOAc and water ($H_2O$). From the EtOAc fraction, two flavonoids were isolated through repeated silica gel column chromatographies. From the result of physico-chemical data including NMR, mass spectrometry and IR, the chemical structures of the compounds were determined to be liquiritin (1) and liquiritigenin (2). This is the first study to isolate flavonoids (1) and (2) from the processed Aconiti tuber.

Topoisomerase I and II Inhibitory Activities and Cytotoxic Constituents from the Barks of Tilia amurnesis

  • Piao, Dong Gen;Lee, You-Jeong;Seo, Chang-Seob;Lee, Chong-Soon;Kim, Jae-Ryong;Chang, Hyun-Wook;Son, Jong-Keun
    • Natural Product Sciences
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    • v.17 no.3
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    • pp.245-249
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    • 2011
  • Eight compounds, squalene (1), friedelin (2), ${\beta}$-sitosterol (3), ${\beta}$-sitosterol-3-O-glucoside (4), ${\alpha}$-tocopherol (5), betulinic acid (6), trilinolein (7) and 1-O-(9Z,12Z-Octadecadienoyl)-3-nonadecanoyl glycerol (8), were isolated from the barks of Tilia amurensis. Their chemical structures were identified by comparing their physicochemical and spectral data with those published in the literature. These isolated compounds were examined for their inhibitory activities against topoisomerase I and II. Compound 7 showed significant inhibition of DNA topoisomerase I and II activities, with percent decreases in activity of 87 and 95%, respectively at a concentration of $100\;{\mu}M$. Compound 6 exhibited cytotoxicity against the human colon adenocarcinoma cell line (HT-29), the human breast adenocarcinoma cell line (MCF-7) and the human liver hepatoblastoma cell line (HepG-2), with $IC_{50}$ values of 20, 59 and $16\;{\mu}M$, respectively.

Global Approaches to Identify Genes Involved during Infection Structure Formation in Rice Blast Fungus, Magnaporthe grisea

  • Park, Woo-Bong
    • The Plant Pathology Journal
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    • v.19 no.1
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    • pp.34-42
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    • 2003
  • The ascomycete Magnaporthe grisea is a pathogen of rice blast and is known to form specialized infection structures called appressoria for successful infection into host cells. To understand the molecular mechanism underlying infection process, appressorium-related genes were identified through global approaches including EST sequencing, differential hybridization, and sup-pression subtractive hybridization. EST database was generated on >2,000 cDNA clones randomly selected from appressorium stage cDNA library. Large number of ESTs showed homology to known proteins possibly involved in infection-related cellular development (attachment, germination, appressorium formation, and colonization) of rice blast fungus. The 1051 ESTs showing significant homology to known genes were assigned to 11 functional categories. Differential hybridization and suppression subtractive hybridization were applied to identify genes showing an appressorium stage specific expression pattern. A number of genes were selected as up-regulated during appressorium formation compared with the vegetative growing stage. Clones from various cDNA libraries constructed in different developmental stages were arrayed on slide glass for further expression profiling study. functional characterization of genes identified from these global approaches may lead to a better understand-ing of the infection process of this devastating plant disease, and the development of novel ways to protect host plant.

Functional Diversity of Cysteine Residues in Proteins and Unique Features of Catalytic Redox-active Cysteines in Thiol Oxidoreductases

  • Fomenko, Dmitri E.;Marino, Stefano M.;Gladyshev, Vadim N.
    • Molecules and Cells
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    • v.26 no.3
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    • pp.228-235
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    • 2008
  • Thiol-dependent redox systems are involved in regulation of diverse biological processes, such as response to stress, signal transduction, and protein folding. The thiol-based redox control is provided by mechanistically similar, but structurally distinct families of enzymes known as thiol oxidoreductases. Many such enzymes have been characterized, but identities and functions of the entire sets of thiol oxidoreductases in organisms are not known. Extreme sequence and structural divergence makes identification of these proteins difficult. Thiol oxidoreductases contain a redox-active cysteine residue, or its functional analog selenocysteine, in their active sites. Here, we describe computational methods for in silico prediction of thiol oxidoreductases in nucleotide and protein sequence databases and identification of their redox-active cysteines. We discuss different functional categories of cysteine residues, describe methods for discrimination between catalytic and noncatalytic and between redox and non-redox cysteine residues and highlight unique properties of the redox-active cysteines based on evolutionary conservation, secondary and three-dimensional structures, and sporadic replacement of cysteines with catalytically superior selenocysteine residues.

Adsorptions and Dissociations of Nitric Oxides at Metalloporphyrin Molecules on Metal Surfaces: Scanning Tunneling Microscopy and Spectroscopy Study

  • Kim, Ho-Won;Chung, Kyung-Hoon;Kahng, Se-Jong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.108-108
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    • 2011
  • Organometallic complexes containing unpaired spins, such as metalloporphyrin or metallophthalocyanine, have extensively studied with increasing interests of their promising model systems in spintronic applications. Additionally, the use of these complexes as an acceptor molecule in chemical sensors has recently received great attentions. In this presentation, we have investigated adsorption of nitric oxide (NO) molecules at Co-porphyrin molecules on Au(111) surfaces with scanning tunneling microscopy and spectroscopy at low temperature. At the location of Co atom in Co-porphyrin molecules, we could observe a Kondo resonance state near Fermi energy in density of states (DOS) before exposing NO molecules and the Kondo resonance state was disappeared after NO exposing because the electronic spin structure of Co-porphyrin were modified by forming a cobalt-NO bonding. Furthermore, we could locally control the chemical reaction of NO dissociations from NO-CoTPP by electron injections via STM probe. After dissociation of NO molecules, the Kondo resonance state was recovered in density of state. With a help of density functional theory (DFT) calculations, we could understand that the modified electronic structures for NO-Co-porphyrin could be occurred by metal-ligand hybridization and the dissociation mechanisms of NO can be explained in terms of the resonant tunneling process via molecular orbitals.

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Production of Nucleocapsid Protein of Newcastle Disease Virus in Escherichia coli and its Assembly into Ring-and Nucleocapsid-like Particles

  • Kho, Chiew-Ling;Tan, Wen-Siang;Khatijah Yusoff
    • Journal of Microbiology
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    • v.39 no.4
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    • pp.293-299
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    • 2001
  • The nucleocapsid(NP) protein of Newcastle disease virus (NDV) and its derivative (NP$\sub$cfus)containing the myc region and six histidine residues fused to its C-terminus were pcpressed aboundantly in Escherichia coli. The proteins were purified by sucrose gradient centrifugation. Both the NP and NP$\sub$cfus/ proteins self-assem- bled into ring-like particles stacked together to from nucleocapsid-like structure which are heterogeneous in length with a diameter of 20${\pm}$2 nm and central holow of 5${\pm}$1 nm. Only a very small amount of the monomers in the particles was linked by inter-molecular disulfide bonds. Fusion of the C-terminal end to 29 amino acids inclusive of the myc epitope and His tag did not impair ring assembly buy inhibited the formation of the long herringbone structures. Immunogold lableing of the particles with the anti-myc antibody showed that the C-terminus of the NP$\sub$cfus/ protein is exposed on the surface of these ring-like particles.

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The Estimation of Dynamic/Impact Strength Characteristics of High Tensile Steel by Dynamic Lethargy Coefficient (동적무기력계수에 의한 고장력강의 동적.충격강도 특성 평가)

  • 송준혁;박정민;채희창;강희용;양성모
    • Transactions of the Korean Society of Automotive Engineers
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    • v.10 no.2
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    • pp.96-100
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    • 2002
  • The purpose of this paper is presented a rational method of predicting dynamic/impact tensile strength of high tensile steel materials widely used fur structural material of automobiles. It is known that the ultimate strength is related with the loading speed and the Lethargy Coefficient from the tensile test. The Dynamic Lethargy Coefficient is proportional to the disorientation of the molecular structure and indicates the magnitude of defects resulting from the probability of breaking the bonds responsible for its strength. The coefficient is obtained from the simple tensile test such as failure time and stresses at fracture. These factors not only affect the static strength but also have a great influence on the dynamic/impact characteristics of the joist and the adjacent structures. This strength is used to analyze the failure life prediction of mechanical system by virtue of its material fracture. The impact tensile test is performed to evaluate the life parameters due to loading speed with the proposed method. Also the evaluation of the dynamic/impact effect on the material tensile strength characteristics is compared with the result of Campbell-Cooper equation to verify the proposed method.

THREE-DIMENSIONAL CRYSTALLIZING ${\pi}$-BONDING , ${\pi}$-FAR INFRARED RAYS AND NEW SPACE ENERGY RESOURCE

  • Oh, Hung-Kuk
    • Proceedings of the Korea Society for Energy Engineering kosee Conference
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    • 1996.04a
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    • pp.73-87
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    • 1996
  • The outer-most electrons of metal atoms and the remining valence electrons of any molecular atoms make three dimensional crystallizing $\pi$-bondings. The electrons on the $\pi$-bonding orbital rotate clockwise or counter-clockwise and they then make electro-magnetic waves between atoms on the orbital because electron move between plus charged ions. The three dimensional crystallizing $\pi$-bonding orbitals are quantum-mechanically modeled by a cyclic Kronig-Penny Model and energy band structures are analyzed with their potential barrier thickness. The waves generated between plus charged ions are the particular $\pi$-far infrared rays, which have dual properties between material and electro-magnetic waves and can be measured not by modern electro-magnetic tester but biosensor such as finger's force tester. Because the $\pi$-rays can be modulated with electro-magnetic waves it can be applied for harmful electro-magnetic wave killers. Because the $\pi$-rays make new three dimensional crystallizing $\pi$-bonding orbitals in the material the food and drink can be transformed into a helpful physical constitutional property for human health. Distinction between crystalline and amorphous metals is possible because very strong crystalline $\pi$-bonding orbitals can not easily be transformed into another. The $\pi$-rays can also be applied for biofunctional diagnostics and therapy. Gravitational field is one of the electro-magnetic fields. And also magnetic field and gravitational force field make charge's movement. ($\times$ = q, : magnetic field, : force field, q: plus charge, : velocity field)

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High-Throughput Active Compound Discovery using Correlations between Activity and Mass Profiles

  • Park, Kyu-Hwan;Yoon, Kyo-Joong;Kwon, Kyung-Hoon;Kim, Hyun-Sik
    • Mass Spectrometry Letters
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    • v.1 no.1
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    • pp.13-16
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    • 2010
  • The active components in a plant extract can be represented as mass profiles. We introduce here a new, multi-compound discovery method known as Scaling of Correlations between Activity and Mass Profiles (SCAMP). In this method, a correlation coefficient is used to quantify similarities between the extract activity and mass profiles. The method was evaluated by first measuring the anti-oxidation activity of eleven fractions of an Astragali Radix extract using DPPH assays. Next, 15 T Fouriertransform ion cyclotron resonance (FT-ICR) MS was employed to generate mass profiles of the eleven fractions. A comparison of correlation coefficients indicated two compounds at m/z 285.076 and 286.076 that were strong antioxidants. Principal component analyses of these profiles yielded the same result. FT-ICR MS, which offers a mass resolving power of 500,000, was used to discern isotopic fine structures and indicated that the molecular formula corresponding to the peak at m/z 285.076 was $C_{16}H_{13}O_5$. SCAMP in combination with high-resolution MS can be applied to any type of mixture to study pharmacological activity and is a powerful tool for active compound discovery in plant extract studies.

Antioxidative Effects of Flavonoids toward Modification of Human Low Density Lipoprotein (플라보노이드에 의한 사람 Low Density Lipoprotein 변형에 대한 항산화 효과)

  • 류병호
    • The Korean Journal of Food And Nutrition
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    • v.12 no.3
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    • pp.320-327
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    • 1999
  • The flavonoids are one of the most numberous and widespread groups of natural consituents. The low molecular weight of benzo-${\gamma}$-pyrone derivative are ubiquitous in plants and are vegetables nuts, seeds, leaves, flowers, and bark. The flavonoids constitute of a large class of compounds ubiquitous in plants containing a number of phenolic hydroxyl groups attached to ring structures conferring the antioxidant activity. Epidemiologic studies suggest that the dietary intake of antioxidants constitutes a risk factor for vasclar disease indicating that oxidation may be important in the pathogenesis of human athero-sclerosis. Elevated plasma low density lipoprotein (LDL) cholesterol concentration are associated with accelerated atherosclerosis, LDL is oxidized by smooth muscle cells resulting in several chemicals and physical changes of LDL. Oxidized LDL is responsible for cholesterol loading of macrophages foam cells formation and atherogenesis. There have been insulficient tests of the protective effects of flavonoids against LDL oxidation to make definitive statements about their structure activity relationships. How-ever hydroxylation of the flavone uncleas can appears to be advantageous because polyhydroxylated aglycone flavonoids are potent inhibitor of LDL modification. This identification may lead to new and more effective antioxidant strategies for abrogating the atherosclerotic process the leading cause of death and disability in industrialized societies.

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