• Bulletin of the Korean Chemical Society
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• v.33 no.12
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• pp.3963-3970
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• 2012

Headspace (HS) and headspace solid-phase microextraction (HS-SPME) were studied for extracting volatile organic compounds (VOCs) from whole blood, with chemical and instrumental variables being optimized for maximum sensitivity: incubation at $60^{\circ}C$, equilibration for 30 min, pH 11, and 2 mL injection volume. Both techniques provided accurate analyses, with detection limits of 0.05-0.1 ng $mL^{-1}$ and 0.05-0.5 ng $mL^{-1}$. HS showed better sensitivity, reproducibility, and analysis times than HS-SPME. Overall levels of chloroform in whole blood were found to be 0.05-5.84 ng $mL^{-1}$; detected levels of benzene were 0.05-2.20 ng $mL^{-1}$.

• Analytical Science and Technology
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• v.23 no.4
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• pp.414-422
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• 2010

In forensic examinations of question document, analysis about inks components and the dating of ink entries is often of considerable importance and forensic examination of inks is principally concerned with the classification and comparison of chemically complex mixtures. The authenticity about inks analysis of a questioned document may be examined through the analysis of inks used to TLC, HPLC/MS, GC/MS, LDI/MS. We collected 56 difference types of black ballpoint pen inks manufactured from 5 country groups. We identified major 6 species volatile organic components (VOCs), ethylbenzene ($0.089-0.244\;{\mu}g$/mL), o-xylene ($0.072-0.331\;{\mu}g$/mL), m,p-xylene ($0.062-0.318\;{\mu}g$/mL), benzene ($0.003-0.173\;{\mu}g$/mL), 1,1-dichloroethylene ($0.003-0.295\;{\mu}g$/mL), toluene ($0.007-0.484\;{\mu}g$/mL) using HS-SPME GC/MS. The results of this study indicated that determined VOCs of black ballpoint pen inks could make a discriminating tool of inks analysis for forensic question document and can supply methodology for classification and identification of between ballpoints pen inks.

• Food Science and Preservation
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• v.30 no.3
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• pp.492-501
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• 2023

In this study, we wanted to understand the impact of different decaffeination processes on aroma compounds of coffee. Therefore, we analyzed differences in physical characteristics and volatile aroma compounds profiles of regular coffee (RC), Swiss water process decaffeinated coffee (SWDC), and supercritical CO₂ decaffeinated coffee (SCDC) after roasting the coffee beans. The electronic nose analysis identified RC and SCDC as different groups which indicates that these groups volatile aroma compound compositions were different. The principal component analysis of volatile compound patterns identified using an electronic nose indicated that there was a large difference in volatile compounds between RC, which was not decaffeinated, and both decaffeinated SWDC and SCDC. The major aroma compounds of RC, SWDC and SCDC were propan-2-one and hexan-2-one which are ketone, and hexanal and (E)-2-pentenal which are aldehyde and 3-methyl-1-butanol which is an alcohol. After roasting, the composition of major volatile compounds appearing in the beans was similar, but the relative odor intensity was different. We identified 28 volatile aroma compounds from RC, SWDC, and SCDC using headspace-solid phase microextraction-gas chromatography/mass spectrometry (HS-SPME-GC/MS), and analyzed 10 major compounds that were present in high abundance, including furfural, 2-furanmethanol, 2,5-dimethylpyrazine, and 2-ethyl-3-methylpyrazine.

• Journal of Environmental Science International
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• v.19 no.12
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• pp.1447-1454
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• 2010

In this study, the detection limits of lower fatty acids in air were investigated by using Dynamic SPME(Solid Phase Micro-Extraction), i.e. improved Head Space - SPME method(HS-SPME). This Dynamic SPME, called SPDE(Solid Phase Dynamic Extraction), is the analytical method for volatile compounds in air with the extraction by using a stainless steel needle of which inner surface is coated with adsorption material and following the gas chromatographic analysis by inserting the needle into a injection port of GC and subsequently, desorption of the volatile compounds into a gas-chromatographic column. Extraction was carried out by passing the sample air through the needle with a suction pump which has been used for a detection tube. The result of measurement for the 6 lower fatty acids showed that the detection limits ranged from 0.10 ppm to 0.44 ppm and the linear correlation coefficients were over 0.99. Relative standard deviations obtained from 5 analytical repetition of a ca. 1.6 ppm standard mixture were in the range of 1.87%~2.47%. This method has been shown to be a adequate for the measuring C2~C5 fatty acids in air in the concentrations of over several hundreds ppb.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2003.09a
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• pp.458-461
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• 2003

Solid-phase microextraction (SPME) and gas chromatography/headspace techniques(HS) and flame ionization detection (GC/FID) have been combined for determination of very polar compounds in water, including the widely used gasoline oxygenates and by-products. A relatively simple extraction method using a CAR/PDMS(75${\mu}{\textrm}{m}$) SPME fiber was optimized for the routine analysis of gasoline oxygenates and by-products in groundwater and reagent water. A sodium chloride concentration of 25%(w/w) combined with an extraction time of 20 min provided the greatest sensitivity while maintaining analytical efficiency Replicate analyses in fortified reagent and groundwater spiked with microgram per liter concentrations of gasoline oxygenates and by-products indicate quantitative and reproducible recovery of these and related oxygenate compounds. Method dynamic range was 50$\mu\textrm{g}$ L-1 to 3000$\mu\textrm{g}$ L-1 for gasoline oxygenates and by-products.

• Bulletin of the Korean Chemical Society
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• v.25 no.2
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• pp.271-279
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• 2004

The aroma component of Hallabong peel has been characterized by GC-MS with two different extraction techniques: solid-phase trapping solvent extraction (SPTE) and headspace solid-phase microextraction (HSSPME). Aroma components emitted from Hallabong peel were compared with those of other citrus varieties: lemon, orange and grapefruit by SPTE and GC-MS. d-Limonene (96.98%) in Hallabong was the main component, and relatively higher peaks of cis- ${\beta}$-ocimene, valencene and -farnesene were observed. Other volatile aromas, such as sabinene, isothujol and ${\delta}$-elemene were observed as small peaks. Also, principal components analysis was employed to distinguish citrus aromas based on their chromatographic data. For HSSPME, the fiber efficiency was evaluated by comparing the partition coefficient ($K_{gs}$Kgs) between the HS gaseous phase and HS-SPME fiber coating, and the relative concentration factors (CF) of the five characteristic compounds of the four citrus varieties. 50/30 ${\mu}$m DVB/CAR/PDMS fiber was verified as the best choice among the four fibers evaluated for all the samples.

• Mass Spectrometry Letters
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• v.8 no.1
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• pp.18-22
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• 2017

Products containing any one or more of 26 fragrance allergens likely to cause contact allergies, are required under the 2008 domestic cosmetic law to be labeled when their concentrations exceed a certain range. This study focuses on the comparison and development of analytical methods based on headspace-solid phase micro extraction (HS-SPME) and liquid-liquid extraction (LLE) methods followed by GC-MS/MS for 24 of the fragrance allergens excepting for two natural materials in water samples. Using the developed HS-SPME method, 15 of the 24 fragrance allergens were analyzed and 9 compounds which have relatively low $logK_{OW}$ values (below about 2.5) were not extracted, and the correlation coefficient ($r^2$) of the calibration curve for quantification showed linearity of 0.9969 or more, and the method detection limits (MDL) and the limits of quantification (LOQ) were $0.078{\sim}0.582{\mu}g/L$ and $0.261{\sim}1.940{\mu}g/L$, respectively. In the case of using the optimized LLE method, all 24 fragrance allergens were analyzed, and the correlation coefficient ($r^2$) of the calibration curve for quantification showed linearity of 0.9957 or more, MDL and LOQ were $0.020{\sim}0.138{\mu}g/L$ and $0.065{\sim}0.440{\mu}g/L$, respectively.

• Korean Journal of Food Science and Technology
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• v.40 no.3
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• pp.271-276
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• 2008

In this study, volatile compounds were isolated from traditional and commercial fermented soybean pastes according to different heating temperatures (room temperature, $50^{\circ}C$, $100^{\circ}C$) using headspace-solid phase microextraction (HS-SPME). The compounds were then analyzed by gas chromatography-mass spectrometry (GC-MS). A total of 51 volatile components, including 18 esters, 3 alcohols, 6 acids, 8 pyrazines, 5 volatile phenols, 6 aldehydes, and 5 miscellaneous compounds, were identified. Esters and acids such as ethyl hexadecanoate, acetic acid, and 2/3-methyl butanoic acid were the largest groups among the quantified volatiles. By applying principal component analyses to the GCMS data sets, differences were observed in the volatile components of the soybean pastes as to the different heating temperatures. A large variation was shown between the volatile components of the traditional and commercial soybean pastes by increasing the heating temperature. Commercial samples had significantly higher levels of longer chain ethyl esters, aldehydes, and thermal degradation products such as maltol and 2-acetyl pyrrole, while traditional samples showed higher concentrations of acids and pyrazines.

• Journal of the Korean Society of Marine Environment & Safety
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• v.18 no.2
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• pp.85-93
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• 2012

We study on the distribution characteristics of antifouling agents such as Sea-nine 211, Irgarol 1051, Diuron using HS-SPME method in southwestern coast of Korea. Short half-life of Sea-nine 211 was distributed in very low concentrations and/or below detection limits in all of the sampling points, both water and sediments samples. Irgarol 1051 was detected to have the highest concentration respectively $6.98{\mu}g/L$, 28.50 ng/g-dry wt in the seawater and sediments, and regional distribution characteristics did not appeared. Strong bioaccumulation and long half-life of Diuron was distributed higher concentration than in all sampling point and was analyzed to have the highest concentration(3882.22 ng/g-dry wt) Mo7(Mokpo)'s sediment. Irgarol 1051 and Diuron distributed in the shipbuilding industry and ship marina are located just at the point to found in high concentrations. In addition, the distribution of the antifouling agent materials were lower in concentration than in inner bay to outter bay in sediments. Antifouling agent materials from these results were contaminated high potential from port and shipbuilding industry located in inner bay.

• Analytical Science and Technology
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• v.30 no.2
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• pp.68-74
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• 2017

The volatile components in 'Fuji' apple were effectively determined by a headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS). A total of 48 volatile components were identified and tentatively characterized based on National Institute of Standards and Technology (NIST) MS spectra library and the Kovats GC retention index I (RI). The harvested Fuji apples were divided into two groups: 1-methylcyclopropene (1-MCP) treated and non-treated (control) samples for finding important indicators between two groups. The major volatile components of both apples were 2-methylbutyl acetate, hexyl acetate, butyl 2-methylbutanoate, hexyl butanoate, hexyl 2-methylbutanoate, hexyl hexanoate and farnesene. No significant differences of these major compounds between 1-MCP treated and non-treated apples were observed during 1 month storage. Interestingly, the amount of off-flavors, including 1-butanol and butyl butanoate, in 1-MCP treated apples decreased over 5 months, and then increased after 7 months. However, non-treated apples did not show significant changes for off-flavors during 7 month storage (p<0.05). The non-treated apples also contained the higher levels of two off-flavors than 1-MCP treated apples. These two compounds, 1-butanol and butyl butanoate, can be used as quality indicators for the quality evaluation of Fuji apple.