• Title/Summary/Keyword: Mass Spectrum

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Speed Improvement of an FTICR Mass Spectra Analysis Program by Simple Modifications

  • Jeon, Sang-Hyun;Chang, Hyeong-Soo;Hur, Man-Hoi;Kwon, Kyung-Hoon;Kim, Hyun-Sik;Yoo, Jong-Shin;Kim, Sung-Hwan;Park, Soo-Jin;Oh, Han-Bin
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2061-2065
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    • 2009
  • Two simple algorithm modifications are made to the THRASH data retrieval program with the aim of improving analysis speed for complex Fourier transform ion cyclotron resonance (FTICR) mass spectra. Instead of calculating the least-squares fit for every charge state in the backup charge state determination algorithm, only some charge states are pre-selected based on the plausibility values obtained from the FT/Patterson analysis. Second, a modification is made to skip figure-of-merit (FOM) calculations in the central m/z region between two neighboring peaks in isotopic cluster distributions, in which signal intensities are negligible. These combined modifications result in a significant improvement in the analysis speed, which reduces analysis time as much as 50% for ubiquitin (8.6 kDa, 76 amino acids) FTICR MS and MS/MS spectra at the reliability (RL) value = 0.90 and five pre-selected charge states with minimal decreases in data analysis quality (Table 3).

Metabolites of Doxylamine succinate in Human Urine (인체 뇨중의 숙신산 독실아민의 대사체)

  • Eom, Khee-Dong;Jung, Byung-Hwa;Chung, Bong-Chul;Slikker, William;Park, Jong-Sei
    • YAKHAK HOEJI
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    • v.36 no.3
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    • pp.230-240
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    • 1992
  • The metabolic profile of doxylamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy] ethanamine, was determined in the human urine. The free fractions of extracts were obtained without hydrolysis, and the conjugated fractions of extracts were obtained with enzyme hydrolysis using ${\beta}-glucuronidase/arylsulfatase$ from Helix pomatia. The mixture of acetic anhydride/pyridine (10 : 1, v : v) was used to derivatize the urinary extracts and then analyzed by gas chromatography and mass selective detector. N-desmethyldoxylamine, doxylamine carboxylic acid, desaminohydroxydoxylamine, N, N-didesmethyldoxylamine, N-acetyl conjugates of N-desmethyl and N, N-didesmethyldoxylamine, quarternary ammonium N-glucuronide of doxylamine, N-desmethyldoxylamine N-glucuronide and unchanged doxylamine were detected in the human urine obtained after oral treatment with doxylamine succinate. $N-methyl-{\alpha}-hydroxy-2-[1-phenyl-1-(2-pyridinyl)$ ethoxy] ethanamine, which can be a key intermediate of this metabolism, was tentatively identified by the interpretation of its mass spectrum. In this study, we proposed the metabolic pathway of doxylamine in the human on the basis of our data of the identified metabolites of doxylamine.

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Isolation and Structural Characterization of an Oligosaccharide Produced by Bacillus subtilis in a Maltose-Containing Medium

  • Shin, Kwang-Soon
    • Preventive Nutrition and Food Science
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    • v.21 no.2
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    • pp.124-131
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    • 2016
  • Among 116 bacterial strains isolated from Korean fermented foods, one strain (SS-76) was selected for producing new oligosaccharides in a basal medium containing maltose as the sole source of carbon. Upon morphological characterization using scanning electron microscopy, the cells of strain SS-76 appeared rod-shaped; subsequent 16S rRNA gene sequence analysis revealed that strain SS-76 was phylogenetically close to Bacillus subtilis. The main oligosaccharide fraction B extracted from the culture supernatant of B. subtilis SS-76 was purified by high performance liquid chromatography. Subsequent structural analysis revealed that this oligosaccharide consisted only of glucose, and methylation analysis indicated similar proportions of glucopyranosides in the 6-linkage, 4-linkage, and non-reducing terminal positions. Matrix-assisted laser-induced/ionization time-of-flight/mass spectrometry and electrospray ionization-based liquid chromatography-mass spectrometry/mass spectrometry analyses suggested that this oligosaccharide consisted of a trisaccharide unit with 1,6- and 1,4-glycosidic linkages. The anomeric signals in the $^1H$-nuclear magnetic resonance spectrum corresponded to ${\alpha}$-anomeric configurations, and the trisaccharide was finally identified as panose (${\alpha}$-D-glucopyranosyl-1,6-${\alpha}$-D-glucopyranosyl-1,4-D-glucose). These results suggest that B. subtilis SS-76 converts maltose into panose; strain SS-76 may thus find industrial application in the production of panose.

Modeling the tidal connection between in and around galaxy clusters

  • Song, Hyun-Mi;Lee, Joung-Hun
    • The Bulletin of The Korean Astronomical Society
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    • v.36 no.2
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    • pp.53.1-53.1
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    • 2011
  • We analyze the halo and galaxy catalogs from the Millennium simulations at redshifts z=0, 0.5, 1 to determine the alignment profiles of cluster galaxies in terms of the matter density correlation coefficient and discuss a cosmological implication our result has for breaking parameter degeneracies. For each selected cluster, we measure the alignment between the major axes of the pseudo inertia tensors from all satellites within cluster's virial radius and from only those satellites within some smaller radius. Then we average the measured values over the similar-mass sample to determine the cluster galaxy alignment profile as a function of top-hat scale difference at each redshift. It is shown that the alignment profile of cluster galaxies is well approximated by a power-law of the nonlinear density correlation coefficient that is independent of the power spectrum normalization and bias factor. The alignment profile of cluster galaxies is found to have higher amplitude and lower power-law index when averaged over the larger-mass sample and to have rather weak redshift-dependence. This result is consistent with the picture that the satellite galaxies retain the memory of the external tidal fields right after merging and infalling into the clusters but they gradually lose the initial alignment tendency as the cluster's relaxation proceeds. Demonstrating that the nonlinear density correlation coefficient varies sensitively with the density parameter and neutrino mass fraction, we discuss a potential power of the cluster galaxy alignment profile as an independent probe of cosmology.

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Purification and Characterization of Manganese Peroxidase of the White-Rot Fungus Irpex lacteus

  • Shin Kwang-Soo;Kim Young Hwan;Lim Jong-Soon
    • Journal of Microbiology
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    • v.43 no.6
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    • pp.503-509
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    • 2005
  • The production of manganese peroxidase (MnP) by Irpex lacteus, purified to electrophoretic homogeneity by acetone precipitation, HiPrep Q and HiPrep Sephacryl S-200 chromatography, was shown to correlate with the decolorization of textile industry wastewater. The MnP was purified 11.0-fold, with an overall yield of $24.3\%$. The molecular mass of the native enzyme, as determined by gel filtration chromatography, was about 53 kDa. The enzyme was shown to have a molecular mass of 53.2 and 38.3 kDa on SDS-PAGE and MALDI-TOF mass spectrometry, respectively, and an isoelectric point of about 3.7. The enzyme was optimally active at pH 6.0 and between 30 and $40^{\circ}C$. The enzyme efficiently catalyzed the decolorization of various artificial dyes and oxidized Mn (II) to Mn (III) in the presence of $H_2O_2$. The absorption spectrum of the enzyme exhibited maxima at 407, 500, and 640 nm. The amino acid sequence of the three tryptic peptides was analyzed by ESI Q- TOF MS/MS spectrometry, and showed low similarity to those of the extracellular peroxidases of other white-rot basidiomycetes.

Analysis of Carotenoids in 25 Indigenous Korean Coral Extracts

  • Kim, Sang Min;Kang, Suk-Woo;Lee, Eun A;Seo, Eun-Kyoung;Song, Jun-Im;Pan, Cheol-Ho
    • Journal of Applied Biological Chemistry
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    • v.56 no.1
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    • pp.43-48
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    • 2013
  • In this study, methanol extracts from 25 indigenous Korean corals were prepared and their carotenoid constituents were analyzed by high-performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry (HPLC-APCI-MS). Among them, extracts from nine species showed detectable peaks in the HPLC chromatogram at 450 nm and the ultraviolet/visible spectra exhibiting carotenoid-specific characteristics were chosen. The mass data of carotenoid peaks revealed that only peridinin could be identified based on literature comparison and suggested the potential presence of novel carotenoid structures. This is the first reported investigation of indigenous Korean coral carotenoids and further work is needed to explore the carotenoids and their potential roles in the ecosystem of indigenous Korean corals.

MOLECULAR LINE OBSERVATION TOWARD POLARIS FLARE

  • Chi Seung-Youp;Park Yong-Sun
    • Journal of The Korean Astronomical Society
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    • v.39 no.1
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    • pp.9-17
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    • 2006
  • In an attempt to investigate star formation activity and statistical properties of clumps of high Galactic latitude clouds (HLCs), we mapped the Polaris Flare region, PF121.3+25.5, in $^{12}CO\;and\;^{13}CO$ J = 1 - 0 using SRAO 6-m telescope and also observed its 12 $^{13}CO$ peak positions in CS J = 2 - 1 with TRAO 14-m telescope. $^{13}CO$ integrated intensity map shows clearly its clumpy structure and the locations of clumps well agree with $^{12}CO$morphology. CS line is not detected toward the 12 $^{13}CO$ peak positions, so we can conclude there are no dense $(\sim10^4\;cm^{-3})$ in this region. We decomposed 105 clumps from $^{13}CO$ map using GAUSSCLUMPS algorithm. The mass of clumps ranges from $7.8\;M_{\odot}\;to\;7.4{\times}10^{-2}\;M_{\odot}$ with a total mass of $66.4\;M_{\odot}$ The mass spectrum follows a power law, dN/dM ${\propto}\;M^{-\alpha}$ with a power index of ${\alpha}=1.91{\pm}0.13$. The virial masses of clumps are in the range of $10{\sim}100M_{LTE}$ and so these clumps are considered to be gravitationally unbound.

Statistical Properties of Flare Variability, Energy, and Frequency in Low-Mass Stars

  • Chang, Seo-Won;Byun, Yong-Ik
    • The Bulletin of The Korean Astronomical Society
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    • v.36 no.1
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    • pp.29.2-29.2
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    • 2011
  • Although stellar flares have a long history of observations, there are few concrete understanding about underlying physical processes and meaningful correlations with other stellar properties. Most of previous observations dealt with only a small number of sample stars, and therefore not sufficient to support generalized statistical studies. Based on one-month long MMT time-series observations of the open cluster M37, we monitored light variations of nearly 2,500 M-dwarf stars and successfully identified 606 flare events from 422 stars. This is a rare attempt to estimate true flare rates and properties among many stars of the same age and mass group. For each flare, we considered both observational and physical parameters including flare shape, duration before and after the peak, baseline magnitude before and after the peak, peak magnitudes, total energy and peak energy, etc. We find significant correlations between some of key parameters over a wide range of energy ($Er=10^{32}{\sim}10^{36}ergs$). For instance, regardless of stellar luminosities, the energy power spectrum of flares can be approximated by a power law (${\beta}=0.83-0.97$). This suggests that flares follow similar physical mechanisms for atmospheric heating and cooling among these low-mass stars. From this MMT data set, we derived an average flaring rate of $0.019 hr^{-1}$ among flare stars and $0.003 hr^{-1}$ for all M-dwarf candidates. We will report the details of our analysis and discuss physical implications.

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Polystyrene Biodegradation Using Zophobas morio

  • Choe, In-Hak;Gi, Ye-Rim;Yang, Su-Jeong;Lee, Seo-Ha;Lee, Ui-Jeong;Lee, Jun-Hyeop;Jeong, Tae-Ho
    • Proceedings of the Korean Environmental Sciences Society Conference
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    • 2020.10a
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    • pp.208-208
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    • 2020
  • The aim of this study was to investigate changes in the weight of Zophobas morio larvae and mass of polystyrene foam when the larvae were fed polystyrene for 27 days. Fourier-transform infrared (FTIR) spectrometry was used to determine whether the polystyrene was broken down by the larvae. Forty Z. morio larvae (four replicates with 10 larvae per replicate) were reared in a chamber under controlled conditions with polystyrene foam blocks as their sole diet. The weight of the Z. morio larvae and mass of the polystyrene foam decreased as a function of time. The average weight of the larvae and mass of the polystyrene foam blocks decreased by 16.3 and 6.5%, respectively, over the 27-day period. The FTIR spectrum of Z. morio larvae fed with polystyrene foam did not reveal the unique peaks associated with polystyrene. In conclusion, this study suggests the possibility of using Z. morio larvae as a management technology for degrading waste plastics without a negative environmental effect. Key words : FTIR spectra, plastic biodegradation, polystyrene foam, Zophobas morio larvae.

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Determination and confirmation of the carbendazim residue in soybean sprout (콩나물중 살균제 carbendazim 잔류분의 정량 및 확인)

  • Kim, Young-Gook;Park, Jong-Tae;Hong, Suk-Soon
    • The Korean Journal of Pesticide Science
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    • v.2 no.3
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    • pp.79-84
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    • 1998
  • Tandem HPLC and atmospheric pressure chemical ionization(APcI) LC/MS method was used for the determination and confirmation of carbendazim residues in soybean sprout. Fluorescence(FL) detector was connected in tandem with the ultraviolet(UV) detector for dual detection of the carbendazim residue at the excitation and emission wavelength of 280 nm and 310 nm, respectively. The limit of detection for carbendazim was $0.1{\mu}g/kg$ sample. Recoveries of carbendazim from fortified soybean sprout at 0.5, 1.0 and 2.0 ppm were averaged 89.1%. Mass spectrometry using a APcI source confirmed the carbendazim residue in the soybean sprout sample. Fragmentation pattern on the APcI LC/MS spectrum of carbendazim was simpler than that from electron impact(EI) mass spectrum. Carbendazim produced 3 major ions including m/z 133, m/z 159 and m/z 191($M^{+}$). This method was sensitive enough to provide reliable and reproducible results for practical applications.

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