• Title/Summary/Keyword: Molecular ionization

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Molecular Simulations and Conformational Studies of Fucoseα1-3)Gal(β1-X)GlcNAc where X=3, 4, or 6 Oligosaccharides

  • Yoo, Eun-Sun;Yoon, In-Mo
    • Bulletin of the Korean Chemical Society
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    • v.29 no.9
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    • pp.1755-1760
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    • 2008
  • Energy minimization and conformational studies of molecular ions generated by ESI (electrospray ionization) tandem mass spectrometry (MS/MS) can be used for the discrimination of stereoisomeric permethylated and sodium cationized trisaccharides. Sets of fucose-containing trisaccharides having different internal and terminal linkages have been synthesized to analyze the reducing terminal linkage positions using BT and IT fusion approaches. A detailed investigation has been undertaken on the conformational behaviors of four trisaccharide fragments from human milk and blood group determinants of Type 1 and Type 2, namely Fuc($\alpha$1- 3)Gal($\beta$1-3)GalNAc and Fuc($\alpha$1-3)Gal($\beta$1-X)GlcNAc where X = 3, 4 and 6 using molecular modeling methods. Three dimensional rigid and adiabatic phi-psi-energy maps (Surfer program) describing the energy as a function of rotation around corresponding glycosidic linkages were calculated by SYBYL molecular modeling and MM4 force field programs conjunction with cleavage energies of ESI MS/MS for the side group orientations. This approach predicted conformational behaviors exhibited by isomer saccharides for future applications on biologically active glycoconjugates and to exploit a faster method of synthesizing a series of structural isomeric oligosaccharides.

Studies on the characteristics of the Resonance Ionization Mass Spectrometor (공명 이온화 질량분석장치 (RIMS) 제작 및 특성연구)

  • 노시표
    • Proceedings of the Optical Society of Korea Conference
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    • 1991.06a
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    • pp.199-202
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    • 1991
  • 기체 시로의 정밀한 분석이 가능한 공명이온화 질량분석장치(Resonance lonization Mass Spectrometor)를 설계, 제작하고 그 특성을 분석하였다. 두 개의 터보펌프(turbo-molecular pump)로 차등펌핑하여 1*10-7Torr 의 진공도를 얻었으며, Nd:YAG 레이저로 광펌핑되는 색소레이저를 분자빔에 조사하여 공명다광자 이온화현상에 의해 발생되는 이온들을 가속시켜 질량을 측정하였다. 아닐린을 시료로 사용하여 분석한 결과 최대 분해능 200을 얻었다.

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Surface Mass Imaging Technique for Nano-Surface Analysis

  • Lee, Tae Geol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.113-114
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    • 2013
  • Time-of-flight secondary ion mass spectrometry (TOF-SIMS) imaging is a powerful technique for producing chemical images of small biomolecules (ex. metabolites, lipids, peptides) "as received" because of its high molecular specificity, high surface sensitivity, and submicron spatial resolution. In addition, matrix-assisted laser desorption and ionization time-of-flight (MALDI-TOF) imaging is an essential technique for producing chemical images of large biomolecules (ex. genes and proteins). For this talk, we will show that label-free mass imaging technique can be a platform technology for biomedical studies such as early detection/diagnostics, accurate histologic diagnosis, prediction of clinical outcome, stem cell therapy, biosensors, nanomedicine and drug screening [1-7].

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Formation of star clusters by cloud-cloud collision

  • Han, Daniel;Kimm, Taysun
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.2
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    • pp.68.3-68.3
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    • 2019
  • We present the preliminary results on the formation of star clusters by cloud-cloud collision. For this purpose, we perform sub-parsec scale, radiation-hydrodynamic simulations of giant molecular clouds using a sink particle algorithm. The simulations include photo-ionization, direct radiation pressure, and non-thermal radiation pressure from infrared and Lyman alpha photons. We confirm that radiation feedback from massive stars suppresses accretion onto sink particles. We examine the collision-induced star formation and discuss the possibility on the formation of a globular cluster.

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Derivatization of a-ketoacid for the Analysis of Aminotransferase Reaction Using Mass Spectrometry (질량 분석기를 이용한 트렌스아미나제 반응 분석을 위한 케토산 화학 수식법 개발)

  • Lee Chang Soo;Kim Yun Gon;Kim Eun Mi;Kim Byung Gee
    • KSBB Journal
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    • v.19 no.5
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    • pp.394-398
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    • 2004
  • A derivatization method in mass spectrometry for small molecular analysis was developed to solve the problems of volatility of many analytes, difficult ionization of analytes, and undiscriminating isobaric analytes. This derivatization method, oximation of $\alpha$-ketoacid, in the transaminase reaction leads to change of mass difference between amine reactants and ketoacid products. In addition, regardless of the kinds of ketoacid, the linear relationship between the peak intensity and its concentration (from 1 mM to 10 mM) shows that quantitative analysis of the conversion of the reaction can be executed by the analysis of peak intensity of the corresponding oximated ketoacids. Furthermore, this method can be used for identifying transaminase as well as determining its substrate specificity

Identification of antigenic proteins of lymphocystis disease virus (LCDV) by MALDI-TOF mass spectrometry

  • Chung, Chang-Kyun;Kim, Byung-Gwan;Jung, Myung-Hwa;Jung, Sung-Ju
    • Journal of fish pathology
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    • v.28 no.3
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    • pp.133-143
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    • 2015
  • The antigenic proteins of Lymphocystis disease virus (LCDV) from tumors of olive flounder, Paralichthys olivaceus, are described following characterization by mass spectrometry. In SDS-PAGE, predominant protein bands were observed at 114, 88, 70, 54, 52, 47, 42 and 24 kDa. Western blot analysis showed that antisera reacted strongly at molecular weights of 114, 67 and 54 kDa, and reacted weakly at molecular weights of 74, 70, 36, 24 and 22 kDa. In the identification of LCDV antigenic proteins by matrix-assisted laser desorption ionization (MALDI) TOF mass spectrometry, 10 of 14 excised bands consisted mostly of proteins with amino acid sequences that matched LCDV-C (lymphocystis disease virus isolate China) ORFs. Strong antigens with molecular weights of 114, 67 and 54 kDa were identified as LDVICp236 (chromosome segregation ATPase), LDVICp033 (membrane bound metallopeptidase) and LDVICp157 (hypothetical protein), respectively. Minor antigens with molecular weights of 70, 36, 24 and 22 kDa proteins were identified as LDVICp160 (acetyl-coA hydrolase), LDVICp213 (hypothetical protein), LDVICp039 (hypothetical protein) and LDVICp213 (hypothetical protein). However, the major capsid protein (LDVICp043) did not react with the polyclonal antibody.

Enzymatic Production of High Molecular Weight Chitooligosaccharides Using Recombinant Chitosanase from Bacillus thuringiensis BMB171

  • Kang, Lixin;Jiang, Sijing;Ma, Lixin
    • Microbiology and Biotechnology Letters
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    • v.46 no.1
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    • pp.45-50
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    • 2018
  • The chitosanase gene (btbchito) of Bacillus thuringiensis BMB171 was cloned and heterologously expressed in the yeast Pichia pastoris. After purification, about 300 mg of recombinant chitosanase was obtained from the 1-1 culture medium with a specific activity of 240 units/mg. Results determined by the combined use of thin layer chromatography (TLC) and matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry (MS) showed that the chitooligosaccharides (COSs) obtained by chitosan (N-deacetylated by 70%, 80%, and 90%) hydrolysis by rBTBCHITO were comprised of oligomers, with degrees of polymerization (DP) mainly ranging from trimers to heptamers; high molecular weight chitopentaose, chitohexaose, and chitoheptaose were also produced. Hydrolysis products was also deduced using MS since the COSs (n) are complex oligosaccharides with various acetyl groups from one to two, so the non-acetyl COSs (GlcN)n and COSs with more acetyls (> 2) were not detected. The employment of this method in the production of high molecular weight COSs may be useful for various industrial and biological applications, and the activity of chitosanase has great significance in research and other applications.

Application of MALDI Tissue Imaging of Drugs and Metabolites: A New Frontier for Molecular Histology

  • Shanta, Selina Rahman;Kim, Young-Jun;Kim, Young-Hwan;Kim, Kwang-Pyo
    • Biomolecules & Therapeutics
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    • v.19 no.2
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    • pp.149-154
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    • 2011
  • Matrix assisted laser desorption ionization (MALDI) mass spectrometry is commonly used to analyze biological molecules such as proteins, peptides and lipids from cells or tissue. Recently MALDI Imaging mass spectrometry (IMS) has been widely applied for the identification of different drugs and their metabolites in tissue. This special feature has made MALDI-MS a common choice for investigation of the molecular histology of pathological samples as well as an important alternative to other conventional imaging methods. The basic advantages of MALDI-IMS are its simple technique, rapid acquisition, increased sensitivity and most prominently, its capacity for direct tissue analysis without prior sample preparation. Moreover, with ms/ms analysis, it is possible to acquire structural information of known or unknown analytes directly from tissue sections. In recent years, MALDI-IMS has made enormous advances in the pathological field. Indeed, it is now possible to identify various changes in biological components due to disease states directly on tissue as well as to analyze the effect of treated drugs. In this review, we focus on the advantages of MALDI tissue imaging over traditional methods and highlight some motivating findings that are significant in pathological studies.

2'-Hydroxylation of Genistein Enhanced Antioxidant and Antiproliferative Activities in MCF-7 Human Breast Cancer Cells

  • Choi, Jung-Nam;Kim, Doc-Kyu;Choi, Hyung-Kyoon;Yoo, Kyung-Mi;Kim, Ji-Young;Lee, Choong-Hwan
    • Journal of Microbiology and Biotechnology
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    • v.19 no.11
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    • pp.1348-1354
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    • 2009
  • Bioconversion of the isoflavonoid genistein to 2'-hydroxygenistein (2'-HG) was performed using isoflavone 2'-hydroxylase (CYP81E1) heterologously expressed in yeast. A monohydroxylated product was analyzed by liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) and NMR spectrometry and was identified as 2'-HG. An initial bioconversion rate of 6% was increased up to 14% under optimized conditions. After recovery, the biological activity of 2'-HG was evaluated. Bioconverted 2'-HG showed higher antioxidant activity against 1,1-diphenyl-2-picryl hydrazine (DPPH) and 2,2'-azino-bis (3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) radicals than did genistein. Furthermore, 2'-HG exhibited greater antiproliferative effects in MCF-7 human breast cancer cells than did genistein. These results suggest that 2'-hydroxylation of genistein enhanced its antioxidant activity and cell cytotoxicity in MCF-7 human breast cancer cells.