• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.21 no.3
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• pp.199-205
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• 2011

This paper proposes a framework to predict the mechanical fault of hot rolling mill system (HRMS). The optimum process of HRMS is usually identified by the rotating velocity of working roll. Therefore, observing the velocity of working roll is relevant to early know the HRMS condition. In this paper, we propose the framework which consists of two methods namely spectrum matrix which related to case-based fast Fourier transform(FFT) analysis, and three dimensional condition monitoring based on novel visualization. Validation of the proposed method has been conducted using vibration data acquired from HRMS by accelerometer sensors. The acquired data was also tested by developed software referred as hot rolling mill facility analysis module. The result is plausible and promising, and the developed software will be enhanced to be capable in prediction of remaining useful life of HRMS.

• Analytical Science and Technology
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• v.13 no.6
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• pp.789-801
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• 2000

This analysis was conducted for PCDDs/PCDFs in sediment by isotope dilution HRGC/HRMS method. From the result, the mean recovery of surrogate standard was in the range of 70.1-80.8%. Among the distribution of 2, 3, 7, 8-substituted isomers, the concentration of OCDD represented almost 40.6-78.5% of total concentration and that of OCDF showed 6.6-14.7% and 1, 2, 3, 4, 6, 7, 8-HpCDD showed 5.1-7.7%. The portion of PCDDs represented 62.4-86.9% of total PCDDs/PCDFs. In the TEQ concentration 1, 2, 3, 4, 7, 8-PeCDF concentration represented 22.7-35.6 % of total TEQ concentration.

• Analytical Science and Technology
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• v.12 no.6
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• pp.550-557
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• 1999

This Analysis was conducted for 13 toxic-PCBs having TEF value among 209 PCBs isomers in sediment by isotope dilution HRGC/HRMS method. From the result, the recovery of surrogate standard was in the range of 71~99%. The concentration range for 13 toxic-PCBs in sediment was found to be 0.84~2.49 ng/g, among them the concentration levels of 2,2',3,3',4,4',5-HpCB(IUPAC No. 170) and 2,2',3,4,4',5,5'-HpCB(IUPAC No. 180) represented almost 50% of total concentrarion and that of 2,3,4,4,5-PeCB(IUPAC No. 114) showed over 10%. The TEQ concentration levelwas in the range of 0.38~2.63 pg-TEQ/g and 3,3',4,4',5-PeCB(IUPAC No. 126) concentration represented over 50% of total TEQ concentration.

• Journal of Environmental Analysis, Health and Toxicology
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• v.21 no.4
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• pp.243-251
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• 2018

Pharmaceuticals in wastewater effluents have been recognized as emerging pollutants threatening freshwater organisms. To extend understanding for bioaccumulation and toxicity in those organisms, information on biotransformation products (or metabolites) and their metabolic pathway are crucial. The aim of the present study is to identify and elucidate metabolites of pharmaceuticals formed in exposed organisms using suspect and nontarget screening approach using LC-HRMS. As the target pharmaceuticals, carbamazepine, ketoprofen, metoprolol, propranolol, and verapamil were selected whereas Daphnia magna and Gammarus pulex were used as test organisms. After 24h exposure, metabolites formed in the organisms were identified using LC-HRMS. The structures of metabolites were elucidated via analysis of MS/MS fragment pattern and the comparison with fragment database. As the results, a total of 10 metabolites were identified for 5 parent compounds (C253/C356 for carbamazepine, K211 for ketoprofen, M256 for metoprolol, P218/P276/P306 for propranolol, V196/V291/V441 for verapamil). Among them, the presence of C253 and V291 was confirmed using standard materials. Most of the identified metabolites were formed through oxidative reactions such as hydroxylation, N-demethylation, and dealkylation. Cysteine conjugation (phase II reaction) metabolite (C356) for carbamazepine was found in daphnia. The metabolic pathway of verapamil showed similar metabolic pathways and metabolic pathways for both species. Although the toxicological information on the identified metabolites could not be confirmed, the molecular structure information of the proposed metabolites can be used for future evaluation and prediction of toxicity.

• Animal Bioscience
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• v.37 no.5
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• pp.918-928
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• 2024

Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R² >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

• Journal of Environmental Analysis, Health and Toxicology
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• v.21 no.4
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• pp.304-315
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• 2018

Located in Gimhae, Hwapo is the biggest riverine wetland in the province of Gyeongsangsam-do, Korea, and is a major habitat for various species. However, it is suspected that various pollutants enter the wetlands from agricultural and industrial areas. This study identifies major organic pollutants in this wetland and their sources using high performance liquid chromatography-high resolution mass spectrometry during one summer season. Forty-five substances were selected for quantitative analysis using target screening, and other non-selected compounds were screened using suspect and non-target screening methods. The results were that 21 and 17 targeted substances were detected in July and August, respectively. Major pollutants in July and August were oxadiazon (July: 17-220 ng/L, August: 66-460 ng/L), carbendazim (July: 10-110 ng/L, August: 64-520 ng/L), caffeine (July: 33-1,100 ng/L, August: 56-580 ng/L), and niflumic acid (July: 23-75 ng/L, August: 42-290 ng/L). Sampling sites S4 in July and S2 in August were the major inflow points. Ten substances (tricyclazole, hexaconazole, diuron, fexofenadine, irbesartan, simetryn, cimetidine, valsartan, tebuconazole, and benzotriazole) and four metabolites (valsartan acid, azoxystrobin acid, TEB_M324c, and 2-aminobenzimidazole) were tentatively identified through suspect and non-target screening, respectively.

• Analytical Science and Technology
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• v.18 no.3
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• pp.232-240
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• 2005

The total PCBs level in the transformer insulation oil samples using GC/ECD and HRGC/HRMS were ranged from 0.087 to $223.6{\mu}g/g$ and ranged from N.D. to $154.04{\mu}g/g$, respectively. The calculated TEQ values were ranged from 0.00067 to 6.8 ng WHO-TEQ/g. Among the samples, 6 samples showed higher than 2 ppm concentration (specific waste criterion of Korea). A variety in the concentration of total PCBs were observed between ECD and HRMS analysis. This is maybe due to quantification mehtod. The Aroclor 1248 wasn't present in the samples. The distribution pattern of Co-PCB congeners showed that the ratio of monoortho substituted congeners were higher than non-ortho substituted congeners. Among that, PCB-167 congener was predominant. In addition, the distribution of Co-PCBs congeners was different with that of flue gas and ambient air samples as well as commercial PCB formulations (Aroclor, Kanechlor).

• Journal of the Korean Chemical Society
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• v.38 no.11
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• pp.819-826
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• 1994

This study described a simple, rapid and cost effective analytical technique for the ultra-trace analysis of dioxins in environmental samples. Liquid-Liquid extraction methods were used for the initial extraction and enrichment of the analyte. Subsequent clean-up procedures were achieved by using strong cation exchanger, silica and Florisil cartridges. Extracts were analysed by HRGC/HRMS-SIM. The efficiency of these analytical methods was tested by recovery and selectivity for elimination of interferences such as phenols, pesticides and PCBs in each step. The mean recovery of 1,2,3,4-TCDD spiked at 10 ppt in sea water was about 92(${\pm}$1.6)%. This analytical method was applied to Kwangyang sea water and 4.5pg/L of 2,3,7,8-TCDD was determined.

• Analytical Science and Technology
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• v.16 no.4
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• pp.325-332
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• 2003

To analyze co-planar PCBs in food, the isotopic dilution method by high resolution gas chromatography/high resolution mass spectrometry was applied. Among 209 PCB congeners, 12 congeners (#77, #81, #126, #169, #105, #114, #118, #123, #156, #157, #167 and #189) were chosen as target compounds that were toxic congeners re-assessed by WHO in 1998. Milk and milk products including cheese and butter were collected as food samples. Samples were homogenized, spiked with the known amount of the standard mixture and extracted. After extraction, extracts were cleaned up by sulfuric acid impregnated silica gel, purified on silica gel and alumina column chromatography and then analyzed by HRGC/HRMS. As results, the overall recoveries were ranged from 83% to 106% and the limit of detection was about 0.1 pg/g at signal/noise>3. Levels of targets in the selected food samples were 0.001~0.107 pgWHO-TEQ/g.

• Mass Spectrometry Letters
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• v.7 no.3
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• pp.69-73
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• 2016

High-resolution quadrupole-Orbitrap mass spectrometry (HRMS), with high-resolution (> 10,000 at full-width at half-maximum) and accurate mass (< 5 ppm deviation) capabilities, plays an important role in the structural elucidation of drug metabolites in the pharmaceutical industry. ML106, a derivative of imidazobenzimidazole, decreased melanin content and tyrosinase activity in a dose-dependent manner. Here, we investigated the phase 1 metabolic pathway of ML106 using HRMS in human liver microsomes (HLMs) and recombinant cDNA-expressed cytochrome P450 (CYP). After the incubation of ML106 with pooled HLMs and recombinant cDNA-expressed CYP in the presence of NADPH, five phase 1 metabolites, including three mono-hydroxylated metabolites (M1-3) and two di-hydroxylated metabolites (M4 and M5), were investigated. The metabolite structures were postulated by the elucidation of protonated mass spectra using HRMS. The CYP isoforms related to the hydroxylation of ML106 were studied after incubation with recombinant cDNA-expressed CYP. Here, we identified the phase 1 metabolic pathway of ML106 induced by CYP in HLMs.