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Gas Chromatography in Food Analysis

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Food Chemistry".

Deadline for manuscript submissions: closed (10 February 2022) | Viewed by 31917

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Dr. Zhentian Lei

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Metabolomics Center, Department of Biochemistry, University of Missouri, Columbia, MO 65211, USA
Interests: metabolomics; biochemistry; biological mass spectrometry; food chemistry; wood chemistry
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Dear Colleagues,

Gas chromatography (GC) is widely used in food analysis, owing to its high separation power. Combined with a wide range of detectors, such as the flame ionization detector (FID) and mass spectrometer (MS), it has become a major analytical platform for both the quantitative and qualitative analysis of food components; additives; and contaminants, such as pesticides, herbicides, veterinary drugs, and packaging materials. It is also used in food quality control, authentication, and food adulteration detection. In addition, GC is the method of choice for food volatile or aroma analysis. The development of the two-dimensional gas chromatography technique (GC × GC) has further enhanced GC separation capabilities, and the ever-increasing GC-MS spectral libraries allow for the confident identification of more components from complex food matrices. GC has become an indispensable analytical technique in food analysis, and is expected to continue to play an important role in food research and analysis. Thus, it is beneficial for researchers to publish and share their work on application of GC in food analysis.

This Special Issue, titled “Gas Chromatography in Food Analysis”, will focus on application of GC in food analysis. Specific topics include, but are not limited to, GC and/or GC-MS method development and application in food analysis.

Dr. Zhentian Lei
Guest Editor

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Keywords

gas chromatography
mass spectrometry
food analysis
chemical analysis
volatiles

Related Special Issue

Chromatography in Food Analysis in Molecules

Published Papers (9 papers)

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Research

17 pages, 1685 KiB

Open AccessArticle

Characterization of Korean Distilled Liquor, Soju, Using Chemical, HS-SPME-GC-MS, and Sensory Descriptive Analysis

by Hyoung-Uk Choi, Tae-Wan Kim and Seung-Joo Lee

Molecules 2022, 27(8), 2429; https://doi.org/10.3390/molecules27082429 - 09 Apr 2022

Cited by 2 | Viewed by 2510

Abstract

The volatile compounds and sensory profiles of 18 different types of distilled soju, chosen with regard to various raw materials and distillation methods (atmospheric vs. vacuum), were explored using headspace solid-phase microextraction (HS-SPME) with gas chromatography-mass spectrometry (GC-MS) and descriptive analysis. General chemical properties such as pH, total acidity (TA), total soluble solids (°Brix), and lactic acid concentration were also determined. A total of 56 volatile compounds, comprising 31 esters, 11 alcohols, 1 acid, 4 aldehydes, 3 ketones, and 6 miscellaneous compounds, were identified. From the principal component analysis (PCA) of the volatile data, samples made using atmospheric distillation such as MSO and PJU showed a clear difference from decompressed distillation samples. Based on the PCA of the sensory data, there was also a clear distinction between samples by their distillation method. To explore relationships among chemical, volatile, and sensory data sets, multiple factor analysis (MFA) was applied. Yeasty and earthy flavors showed a close relationship with 1-nonanol, octatonic acid, and longer-chain esters such as ethyl phenylacetate and ethyl tetradecanoate, and with chemical parameters such as TA, °Brix, and lactic acid. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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16 pages, 3826 KiB

Open AccessArticle

Distinguishing between Decaffeinated and Regular Coffee by HS-SPME-GC×GC-TOFMS, Chemometrics, and Machine Learning

by Yun Zou, Meriem Gaida, Flavio A. Franchina, Pierre-Hugues Stefanuto and Jean-François Focant

Molecules 2022, 27(6), 1806; https://doi.org/10.3390/molecules27061806 - 10 Mar 2022

Cited by 23 | Viewed by 3878

Abstract

Coffee, one of the most popular beverages in the world, attracts consumers by its rich aroma and the stimulating effect of caffeine. Increasing consumers prefer decaffeinated coffee to regular coffee due to health concerns. There are some main decaffeination methods commonly used by commercial coffee producers for decades. However, a certain amount of the aroma precursors can be removed together with caffeine, which could cause a thin taste of decaffeinated coffee. To understand the difference between regular and decaffeinated coffee from the volatile composition point of view, headspace solid-phase microextraction two-dimensional gas chromatography time-of-flight mass spectrometry (HS-SPME-GC×GC-TOFMS) was employed to examine the headspace volatiles of eight pairs of regular and decaffeinated coffees in this study. Using the key aroma-related volatiles, decaffeinated coffee was significantly separated from regular coffee by principal component analysis (PCA). Using feature-selection tools (univariate analysis: t-test and multivariate analysis: partial least squares-discriminant analysis (PLS-DA)), a group of pyrazines was observed to be significantly different between regular coffee and decaffeinated coffee. Pyrazines were more enriched in the regular coffee, which was due to the reduction of sucrose during the decaffeination process. The reduction of pyrazines led to a lack of nutty, roasted, chocolate, earthy, and musty aroma in the decaffeinated coffee. For the non-targeted analysis, the random forest (RF) classification algorithm was used to select the most important features that could enable a distinct classification between the two coffee types. In total, 20 discriminatory features were identified. The results suggested that pyrazine-derived compounds were a strong marker for the regular coffee group whereas furan-derived compounds were a strong marker for the decaffeinated coffee samples. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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13 pages, 936 KiB

Open AccessArticle

Method Development and Validation for Omega-3 Fatty Acids (DHA and EPA) in Fish Using Gas Chromatography with Flame Ionization Detection (GC-FID)

by Suryati Muhammad Alinafiah, Azrina Azlan, Amin Ismail and Nor-Khaizura Mahmud Ab Rashid

Molecules 2021, 26(21), 6592; https://doi.org/10.3390/molecules26216592 - 30 Oct 2021

Cited by 12 | Viewed by 4061

Abstract

Gas chromatography with flame ionization detection (GC-FID) has often been used to quantify fatty acids in fish. This study validated the common method for determining omega-3 fatty acids (DHA and EPA) in the raw and cooked warm-water fish, selayang, using GC-FID for subsequent evaluation on EPA and DHA retention using the Weibull model. The EPA and DHA were separated using a high-polarity capillary GC HP-88 column (60 m length, 0.25 mm ID, 0.2 μm DF) with a total run time of 45.87 min. The method was validated in linearity, precision, accuracy, specificity and sensitivity based on ICH requirements. In addition, it was found that the method had a high recovery rate (>95%) and good precision (RSD ≤ 2%) with overall RSDs ranging below 0.001% for both omega-3 PUFA. In conclusion, this method identified and quantified fatty acids and omega-3 accurately and precisely and can be used effectively for routine FAME analysis in fish samples. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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14 pages, 2070 KiB

Open AccessArticle

An Optimized SPME-GC-MS Method for Volatile Metabolite Profiling of Different Alfalfa (Medicago sativa L.) Tissues

by Dong-Sik Yang, Zhentian Lei, Mohamed Bedair and Lloyd W. Sumner

Molecules 2021, 26(21), 6473; https://doi.org/10.3390/molecules26216473 - 27 Oct 2021

Cited by 10 | Viewed by 2584

Abstract

Solid-phase microextraction (SPME) was coupled to gas chromatography mass spectrometry (GC-MS) and a method optimized to quantitatively and qualitatively measure a large array of volatile metabolites in alfalfa glandular trichomes isolated from stems, trichome-free stems, and leaves as part of a non-targeted metabolomics approach. Major SPME extraction parameters optimized included SPME fiber composition, extraction temperature, and extraction time. The optimized SPME method provided the most chemically diverse coverage of alfalfa volatile and semi-volatile metabolites using a DVB/CAR/PDMS fiber, extraction temperature of 60 °C, and an extraction time of 20 min. Alfalfa SPME-GC-MS profiles were processed using automated peak deconvolution and identification (AMDIS) and quantitative data extraction software (MET-IDEA). A total of 87 trichome, 59 stem, and 99 leaf volatile metabolites were detected after background subtraction which removed contaminants present in ambient air and associated with the fibers and NaOH/EDTA buffer solution containing CaCl₂. Thirty-seven volatile metabolites were detected in all samples, while 15 volatile metabolites were uniquely detected only in glandular trichomes, 9 only in stems, and 33 specifically in leaves as tissue specific volatile metabolites. Hierarchical cluster analysis (HCA) and principal component analysis (PCA) of glandular trichomes, stems, and leaves showed that the volatile metabolic profiles obtained from the optimized SPME-GC-MS method clearly differentiated the three tissues (glandular trichomes, stems, and leaves), and the biochemical basis for this differentiation is discussed. Although optimized using plant tissues, the method can be applied to other types of samples including fruits and other foods. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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13 pages, 1836 KiB

Open AccessArticle

Volatile Composition and Biological Activity of Jordanian Commercial Samples of R. coriaria L. Fruits

by Rajashri R. Naik, Ashok K. Shakya, Benedetta Ferri, Ghaleb A. Oriquat, Luisa Pistelli and Nawfal A. M. Numan

Molecules 2021, 26(18), 5691; https://doi.org/10.3390/molecules26185691 - 20 Sep 2021

Cited by 4 | Viewed by 1811

Abstract

The present paper reports the GC-HS-SPME analysis of volatile emission and GC-MS analysis of chemical composition of essential oil of R. coriaria fruits of eight different samples of R. coriaria L. fruits (“sumac” folk name), collected from Jordanian agricultural field and the local market. The analyses show an important variability among the Sumac samples probably due to the origin, cultivation, harvesting period, drying, and conservation of the plant material. The main class of component present in all samples was monoterpenes (43.1 to 72.9%), except for one sample which evidenced a high percentage of sesquiterpene hydrocarbons (38.5%). The oxygenated monoterpenes provided a contribution to total class of monoterpenes ranging from 10.1 to 24.3%. A few samples were rich in monoterpene hydrocarbons. Regarding the single components present in all the volatile emissions, β-caryophyllene was the main compound in most of the analyzed samples, varying from 34.6% to 7.9%. Only two samples were characterized by α-pinene as the main constituent (42.2 and 40.8% respectively). Essential oils were collected using hydro-distillation method. Furfural was the main constituent in almost all the analyzed EOs (4.9 to 48.1%), except in one of them, where β-caryophyllene was the most abundant one. β-caryophyllene ranged from 1.2 to 10.6%. Oxygenated monoterpenes like carvone and carvacrol ranged from 3.2–9.1% and 1.0–7.7% respectively. Cembrene was present in good amount in EO samples EO-2 to EO-8. The antioxidant capacities of the fruit essential oils from R. coriaria were assessed using spectrophotometry to measure free radical scavenger 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical and inhibition of β-carotene bleaching (BCB). The essential oils from the fruits of the different samples of R. coriaria exhibited the MIC value ranging from 32.8 to 131.25 µg/mL against S. aureus ATCC 6538 and 131.25 to 262.5 µg/mL against E. coli ATCC 8739. The MIC values of ciprofloxacin were 0.59 and 2.34 µg/mL against S. aureus ATCC 6538 and E. coli ATCC 8739, respectively. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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14 pages, 1608 KiB

Open AccessArticle

A Comparative Study of the Chemical Composition by SPME-GC/MS and Antiradical Activity of Less Common Citrus Species

by Sara Vitalini, Marcello Iriti, Vittorio Vinciguerra and Stefania Garzoli

Molecules 2021, 26(17), 5378; https://doi.org/10.3390/molecules26175378 - 04 Sep 2021

Cited by 16 | Viewed by 3907

Abstract

Citrus secondary metabolites, such as terpene compounds, are very important for human health due to their bioactivity including anti-inflammatory, anti-cancer, and antioxidant effects. In this work, for the first time, the volatile chemical composition of peels and juices from four different Citrus species (C. junos, Citrus × aurantium, C. aurantium ‘Bizzarria’ and C. medica ‘Florentina’, commonly known as Yuzu jeune, Oni Yuzu, Bizzarria orange and Florence cedar, respectively) was investigated by Solid-Phase Microextraction-Gas Chromatography/Mass Spectrometry (SPME-GC/MS) technique and the antiradical activity was also examined. The results showed that limonene and γ-terpinene were the main volatile substances detected both in the juices and in the peels, followed by other minority compounds responsible for the phyto-complex of the unique aromas which characterize each individual analyzed Citrus species. Principal component analysis (PCA), performed on volatile compounds, showed both some correlation as well as a clear separation between the juice and the peel of each species. Among them, Oni Yuzu juice was found to be the richest in total polyphenols and flavonoids while its capacity to scavenge ABTS^•+ and DPPH^• radicals was similar to that of Yuzu Jeune and Bizzarria orange. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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12 pages, 1154 KiB

Open AccessArticle

Fatty Acid Analysis, Chemical Constituents, Biological Activity and Pesticide Residues Screening in Jordanian Propolis

by Rajashri R. Naik, Ashok K. Shakya, Ghaleb A. Oriquat, Shankar Katekhaye, Anant Paradkar, Hugo Fearnley and James Fearnley

Molecules 2021, 26(16), 5076; https://doi.org/10.3390/molecules26165076 - 21 Aug 2021

Cited by 14 | Viewed by 2867

Abstract

Propolis is a resinous natural product collected by honeybees (Apis mellifera and others) from tree exudates that has been widely used in folk medicine. The present study was carried out to investigate the fatty acid composition, chemical constituents, antioxidant, and xanthine oxidase (XO) inhibitory activity of Jordanian propolis, collected from Al-Ghour, Jordan. The hexane extract of Jordanian propolis contained different fatty acids, which are reported for the first time by using GC-FID. The HPLC was carried out to identify important chemical constituents such as fatty acids, polyphenols and α-tocopherol. The antioxidant and xanthine oxidase inhibitory activities were also monitored. The major fatty acid identified were palmitic acid (44.6%), oleic acid (18:1∆⁹cis, 24.6%), arachidic acid (7.4%), stearic acid (5.4%), linoleic acid (18:2∆^9–12cis, 3.1%), caprylic acid (2.9%), lignoceric acid (2.6%), cis-11,14-eicosaldienoic acid (20:2∆^11–14cis, 2.4%), palmitoleic acid (1.5%), cis-11-eicosenoic acid (1.2%), α–linolenic acid (18:3∆^9–12–15cis, 1.1%), cis-13,16-docosadienoic acid (22:2∆^13–16cis, 1.0%), along with other fatty acids. The major chemical constituents identified using gradient HPLC-PDA analysis were pinocembrin (2.82%), chrysin (1.83%), luteolin-7-O-glucoside (1.23%), caffeic acid (1.12%), caffeic acid phenethyl ester (CAPE, 0.79%), apigenin (0.54%), galangin (0.46%), and luteolin (0.30%); while the minor constituents were hesperidin, quercetin, rutin, and vanillic acid. The percentage of α-tocopherol was 2.01 µg/g of the lipid fraction of propolis. Antioxidant properties of the extracts were determined via DPPH radical scavenging. The DPPH radical scavenging activities (IC₅₀) of different extracts ranged from 6.13 to 60.5 µg/mL compared to ascorbic acid (1.21 µg/mL). The xanthine oxidase inhibition (IC₅₀) ranged from 75.11 to 250.74 µg/mL compared to allopurinol (0.38 µg/mL). The results indicate that the various flavonoids, phenolic compounds, α-tocopherol, and other constituents which are present in propolis are responsible for the antioxidant and xanthine oxidation inhibition activity. To evaluate the safety studies of propolis, the pesticide residues were also monitored by LC-MS-MS 4500 Q-Trap. Trace amounts of pesticide residue (ng/mL) were detected in the samples, which are far below the permissible limit as per international guidelines. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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15 pages, 1402 KiB

Open AccessArticle

New Insights on Volatile Components of Vanilla planifolia Cultivated in Taiwan

by Chih-Hsin Yeh, Kai-Yi Chen, Chia-Yi Chou, Hsin-Yi Liao and Hsin-Chun Chen

Molecules 2021, 26(12), 3608; https://doi.org/10.3390/molecules26123608 - 12 Jun 2021

Cited by 8 | Viewed by 4619

Abstract

Vanilla (Vanilla planifolia) is a precious natural flavoring that is commonly used throughout the world. In the past, all vanilla used in Taiwan was imported; however, recent breakthroughs in cultivation and processing technology have allowed Taiwan to produce its own supply of vanilla. In this study, headspace solid-phase microextraction (HS-SPME) combined with GC-FID and GC-MS was used to analyze the volatile components of vanilla from different origins produced in Taiwan under different cultivation and processing conditions. The results of our study revealed that when comparing different harvest maturities, the composition diversity and total volatile content were both higher when the pods were matured for more than 38 weeks. When comparing different killing conditions, we observed that the highest vanillin percentage was present after vanilla pods were killed three times in 65 °C treatments for 1 min each. From the experiment examining the addition of different strains, the PCA results revealed that the volatiles of vanilla that was processed with Dekkera bruxellensis and Bacillus subtilis was clearly distinguished from which obtained by processing with the other strains. Vanilla processed with B. subtilis contained 2-ethyl-1-hexanol, and this was not detected in other vanillas. Finally, when comparing the vanillin percentage from seven different regions in Taiwan, vanilla percentage from Taitung and Taoyuan Longtan were the highest. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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16 pages, 3179 KiB

Open AccessArticle

Headspace Solid-Phase Microextraction Analysis of Volatile Components in Peanut Oil

by Kai-Min Yang, Louis Kuoping Chao, Chin-Sheng Wu, Zih-Sian Ye and Hsin-Chun Chen

Molecules 2021, 26(11), 3306; https://doi.org/10.3390/molecules26113306 - 31 May 2021

Cited by 24 | Viewed by 3134

Abstract

Peanut oil is favored by consumers due to its rich nutritional value and unique flavor. This study used headspace solid-phase microextraction (HS-SPME) combined with gas chromatography (GC) and gas chromatography–mass spectrometry (GC-MS) to examine the differences in the peanut oil aroma on the basis of variety, roasting temperatures, and pressing components. The results revealed that the optimal conditions for extracting peanut oil were achieved through the use of 50/30 μm DVB/CAR/PDMS fibers at 60 °C for 50 min. The primary compounds present in peanut oil were pyrazines. When peanuts were roasted, the temperature raised from 120 °C to 140 °C and the content of aldehydes in peanut oil increased; however, the content of aldehydes in No. 9 oil at 160 °C decreased. The components of peanut shell oil varied depending on the peanut variety. The most marked difference was observed in terms of the main compound at the two roasting temperatures. This compound was a pyrazine, and the content increased with the roasting temperature in hekei oils. When the roasting temperature was lower, No. 9 oil contained more fatty acid oxidation products such as hexanal, heptanal, and nonanal. When the roasting temperature increased, No. 9 oil contained more furfural and 5-methylfurfural. Heren oil was easier to oxidize and produced nonanal that possessed a fatty aroma. Full article

(This article belongs to the Special Issue Gas Chromatography in Food Analysis)

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