• KSBB Journal
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• v.22 no.4
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• pp.234-238
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• 2007

We used electrospary ionization ion trap tandem mass spectrometry (ESI-IT tandem MS) to structural elucidation of three different biantennary-type glycans having zero, one, two galactoses (G0, G1, G2). The highest fragment ion in the MS/MS spectra of three glycans was produced by 0,2-ring cleavage of fucose-linked N-acetylglucosamine (GlcNAc) in reducing end. The fragment ions both from precursor ions and 0,2-ring cleaved ions ($^{0.2}An$; n=5 for G0, n=6 for G1 and G2) were not overlapped each other. As results of $MS^n$ analyses, tandem fragmentation trees of each glycans were generated and 2,4-ring cleavages ($^{2.4}A_6$) were occurred in GlcNAc linked to reducing end GlcNAc. This structural elucidation and fragmentation study of N-linked glycans by tandem mass spectrometry can be applied to structural analysis of more complicated glycans.

• Proceedings of the Korean Society of Food Hygiene and Safety Conference
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• 2001.10a
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• pp.140-140
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• 2001

A sensitive analytical method based on gas chromatograpy-mass spectrometry with a selected ion monitoring (GC/MS-SIM) with the purge-and-trap concentration and with headspace method (in limited applications) was developed for determining of epichlorohydrin in canned beverages coated with epoxy resin. The calibration curve in the range of $0.5\sim50ng$ had correlation coefficient greater than 0.998 and a detection limit of $0.l\mug/L$ was obtained using a sample volume of 20ml. The predominant ions of epichlorohydrin produced in MSD using electron ionization(EI) were m/z 57 ([M-CI]+) and 62/64 $([M-CH_2O]+)$. In survey of epichlorohydrin in thirty commercial canned beverage samples, none of them was detected.

• The Korean Journal of Pesticide Science
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• v.9 no.4
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• pp.292-302
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• 2005

Condition of Ion-Trap gas chromatography-mass spectrometry (GC-MS) for rapid screening of 206-pesticides residues in agricultural foodstuffs was optimized. As applying a wide-bore column (10 m${\times}$0.53 mm, DF 0.25 um) connected with a fused silica restrictor (0.6 m${\times}$0.1 mm), a significant retention time reduction was obtained. Additionally, the shape of peaks was sharper and higher than classical GC's and GC-MS's, which allowed lower detection limits. To easily manage many spectral data, both of Electron Ionization(EI) and Chemical Ionization(CI) techniques were adopted in screening procedure. At the following steps, MS-MS technique were used to confirm screened analytes in complicated matrices.

• Mass Spectrometry Letters
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• v.3 no.1
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• pp.10-14
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• 2012

Artificially oxidized cysteine residues in peroxiredoxin 6 (Prx6) were detected by electrospray interface capillary liquid chromatography-linear ion trap mass spectrometry after the preparation of two-dimensional gel electrophoresis (2D-GE). We used Prx6 as a model protein because it possesses only two cysteine residues at the 47th and 91st positions. The spot of Prx6 on 2D-GE undergoes a basic (isoelectric point, pI 6.6) to acidic (pI 6.2) shift by exposure to peroxide due to selective overoxidation of the active-site cysteine Cys-47 but not of Cys-91. However, we detected a tryptic peptide containing cysteine sulfonic acid at the 47th position from the basic spot and a peptide containing both oxidized Cys-47 and oxidized Cys-91 from the acidic spot of Prx6 after the separation by 2D-GE. We prepared two types of oxidized Prx6s: carrying oxidized Cys-47 (single oxidized Prx6), and other carrying both oxidized Cys-47 and Cys-91 (double oxidized Prx6). Using these oxidized Prx6s, the single oxidized Prx6 and double oxidized Prx6 migrated to pIs at 6.2 and 5.9, respectively. These results suggest that oxidized Cys-47 from the basic spot and oxidized Cys-91 from the acidic spot are generated by artificial oxidation during sample handling processes after isoelectric focusing of 2D-GE. Therefore, it is important to make sure of the origin of cysteine oxidation, if it is physiological or artificial, when an oxidized cysteine residue(s) is identified.

• Mass Spectrometry Letters
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• v.5 no.4
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• pp.115-119
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• 2014

The Brazil nut (Bertholletia excelsa - Lecythidaceae) is considered a product with high economic value, being a food widely appreciated for its nutritional qualities. Although previous studies have reported the biochemical composition of Brazil nut oil, the knowledge regarding the phospholipid composition exhibits a disagreement: the composition of fatty acids present in the structures of phospholipids is reported as being different from the composition of the free fatty acids present in the oil. In this work, solid phase extraction (SPE) was employed to provide a fast extraction of the phospholipids from Brazil nuts, in order to compare the phospholipid profile of the in nature nuts and their fatty acids precursor present in the oil. The major phospholipids were characterized by mass spectrometry approach. Their fragmentation pattern through direct infusion electrospray ionization ion-trap tandem mass spectrometry ($ESI-IT-MS^2$) proved to be useful to unequivocal characterization of these substances. High resolution (HR) experiments through ESI using a quadruple time of flight mass spectrometry (QTOF) system were performed to reinforce the identifications.

• Journal of Korean Society on Water Environment
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• v.20 no.3
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• pp.245-250
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• 2004

This study investigated the micropollutants present in raw water supplied for the several drinking water treatment plants in Seoul. The target sample waters were collected from the several sites, such as Jayang (JY), Kuui (KI), Paldang (PD) and Kangbuk (KB) at the Han-River stream. The analytical method used in this study enable us to detect about 300 kinds of chemicals commonly found in surface water at ppt level by GC-ion trap MS. In this study, the consideration on the analytic results focused on the four hazardous organics, such as benzenes, phenols, phthalates and pesticides. The numbers of each detected micropollutant were 1~8 kinds for benzenes, 1~7 kinds for phenols, 5~7 kinds for phthalates and 1~9 kinds for pesticides. For the pesticides, the higher concentration was detected in the water samples collected from PD and KB adjacent to the farming area, and at June and July, which is the busy farming season. The total concentrations of each micropollutants detected at all the sites were significantly lower than those of drinking water regulation in Korea as well as other advanced countries. However, the frequently detected micropollutants requires the steady and precise monitoring for the effective management of drinking water source.

• Asian Pacific Journal of Cancer Prevention
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• v.17 no.2
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• pp.691-695
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• 2016

Protein glycosylation is the most common posttranslational modification in mammalian cells. Aberrant protein glycosylation has been reported in various diseases, including cancer. We identified and quantified the glycan structures of O-linked glycoprotein from cholangiocarcinoma (CCA) cell lines from different histological types and compared their profiles by nanospray ionization-linear ion trap mass spectrometry (NSI-$MS^n$). Five human CCA cell lines, K100, M055, M139, M213 and M214 were characterized. The results showed that the O-linked glycans of the CCA cell lines comprised tri- to hexa-saccharides with terminal galactose and sialic acids: NeuAc1Gal1GalNAc1, Gal2GlcNAc1GalNAc1, NeuAc2Gal1GalNAc1 NeuAc1Gal2GlcNAc1GalNAc1 and NeuAc2Gal2GlcNAc1GalNAc1 All five CCA cell lines showed a similar glycan pattern, but with differences in their quantities. NeuAc1Gal1GalNAc1 proved to be the most abundant structure in poorly differentiated adenocarcinoma (K100; 57.1%), moderately differentiated adenocarcinoma (M055; 42.6%) and squamous cell carcinoma (M139; 43.0%), while moderately to poorly differentiated adenocarcinoma (M214; 40.1%) and adenosquamous cell carcinoma (M213; 34.7%) appeared dominated by $NeuA_{c2}Gal_1GalNA_{c1}$. These results demonstrate differential expression of the O-linked glycans in the different histological types of CCA. All five CCA cell lines have abundant terminal sialic acid (NeuAc) O-linked glycans, suggesting an important role for sialic acid in cancer cells. Our structural analyses of glycans may provide important information regarding physiology of disease-related glycoproteins in CCA.

• Journal of Microbiology and Biotechnology
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• v.25 no.2
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• pp.217-226
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• 2015

Metabolite profiles of seven commercial vinegars and two traditional vinegars were performed by gas chromatography time-of-flight mass spectrometry with multivariate statistical analysis. During alcohol fermentation, yeast, nuruk, and koji were used as sugars for nutrients and as fermentation substrates. Commercial and traditional vinegars were significantly separated in the principal component analysis and orthogonal partial least square discriminant analysis. Six sugars and sugar alcohols, three organic acids, and two other components were selected as different metabolites. Target analysis by ultra-performance liquid chromatography quadruple-time-of-flight mass spectrometry and liquid chromatography-ion trap-mass spectrometry/mass spectrometry were used to detect several metabolites having antioxidant activity, such as cyanidin-3-xylosylrutinoside, cyanidin-3-rutinoside, and quercetin, which were mainly detected in Rural Korean Black raspberry vinegar (RKB). These metabolites contributed to the highest antioxidant activity measured in RKB among the nine vinegars. This study revealed that MS-based metabolite profiling was useful in helping to understand the metabolite differences between commercial and traditional vinegars and to evaluate the association between active compounds of vinegar and antioxidant activity.

• Journal of Environmental Health Sciences
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• v.35 no.4
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• pp.334-342
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• 2009

Perfluorinated compounds (PFCs) have a wide range of domestic and industrial applications, but they are persistent in the environment. Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonate (PFOS) are among the metabolites of PFCs and occur at high concentration in the environment. Korea is the largest importer of PFC compounds in the world, therefore, the accumulation of these compounds is possible. In this study, the concentrations of PFOS and PFOA were determined in water samples taken from sewage treatment plants (STPs) and the Han River in Seoul, Korea. After extraction with a HLB cartridge, PFCs in the samples were analyzed by HPLC with an ion trap mass spectrometry in electrospray negative mode. Limits of detection was between 1 and 1.6 ng/l. The result showed that the concentrations of PFOS and PFOA in effluent and influent of the four STPs in Seoul were 60~570 ng/l, and not detected (nd)~254 ng/l, respectively. The levels of PFOS and PFOA were higher in the effluents which passed through the treatment process than in influent water samples which was against expectation. The concentration of PFOA and PFOS in the Han River was 60~570 ng/l and nd~254 ng/l, respectively. PFOA was detected in every sample, but PFOS was only detected in the downstreams of the Han River. This result indicates that there is comprehensive contamination of PFCs in the aquatic environment in Korea.

• Analytical Science and Technology
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• v.28 no.1
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• pp.58-64
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• 2015

This study aimed to investigate the concentration distributions and formation characteristics of trihalomethanes (THMs) in drinking water supplies to rural communities. Water samples were collected twice from 40 rural households located on the outskirts of Chuncheon city of Gangwon Province in the summers of 2010 and 2011, and urban drinking water samples were collected from 20 faucets during the same period in 2011 for comparison purpose. Water temperature, pH, and residual chlorine (total and free) concentrations were measured in the field, and samples were analyzed for dissolved organic carbon (DOC) and THM concentrations in the laboratory. The average DOC concentrations in rural water samples were not greatly different between groundwater (n = 20) and surface water (n = 20) which were used as sources for drinking water (1.81 vs. 1.91 mg/L). However, the average concentrations of total THMs (TTHMs) in groundwater ($9.77{\mu}g/L$) were much higher than those in surface water ($2.85{\mu}g/L$) and similar to those in urban drinking water samples ($10.8{\mu}g/L$). Unlike urban water supply, rural water (particularly groundwater) contained more brominated THM species such as dibromochloromethane (DBCM), suggesting its relatively high content of bromide ion (Br-). This study showed that rural water supplies have different THM formation characteristics from urban water supplies, probably due to their differences in source water quality properties.