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JOURNAL OF CHROMATOGRAPHY A · 2018 · IF 3.716

Poly(3-hexylthiophene) stationary phase for gas chromatographic separations of aliphatic and aromatic isomers

Jianlin Peng,Meiling Qi

This work describes the investigation of utilizing a chain-typed thiophene-based π-conjugated polymer, i . e ., poly(3-hexylthiophene) (P3HT), as the stationary phase for gas chromatography (GC). The P3HT column was statically prepared and investigated for its column efficiency, polarity, separation performance, repeatability and thermal stability. As a result, it showed moderate polarity and column efficiencies of 3260, 3310 and 3790 plates/m for 1-octanol, naphthalene and n -dodecane, respectively. As evidenced, it exhibited high-resolution performance for aliphatic and aromatic isomers, including those critical pairs such as phenanthrene/anthracene and p -/ m -benzenediol isomers. Moreover, it displayed stronger retention for alkanes, alcohols and phenols in comparison to the polysiloxane stationary phase with close polarity. Also, the P3HT column had good repeatability and reproducibility with the RSD values less than 0.05% for run-to-run, 0.17–0.54% for day-to-day and 2.7–5.2% for column-to-column, and good thermal stability up to 260 °C. This work demonstrates the promising future of the thiophene-based polymer and its derivatives in separation science.

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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2014 · IF 3.107

Binding of Aroma Compounds with Myofibrillar Proteins Modified by a Hydroxyl-Radical-Induced Oxidative System

Feibai Zhou,Mouming Zhao,Guowan Su,Weizheng Sun

The objective of this study was to investigate the influence of oxidation-induced structural modifications of myofibrillar protein on its binding ability with aroma compounds such as 2-methyl-butanal, methional, 2-pentanone, 2-heptanone, and nonanal. A method using solid-phase microextraction (SPME) combined with gas chromatography/mass spectrometry (GC/MS) was used to determine the corresponding binding ability. The binding with aroma compounds was found to be strongly affected by the oxidation levels of proteins, probably due to the varying modifications in protein structure and surface. Incubation with oxidants around or below 1 mM mainly caused the refolding of protein structure and accelerated the protein aggregation, which reduced the affinity of the aroma compounds, thus decreasing the binding ability. Nevertheless, treatment with oxidants over 2.5 mM would cause protein reaggregation and partial degradation, and thus, the subsequent modification of protein surface properties. The aggregated protein with wrinkled surfaces favored the hydrophobic interactions with aroma compounds, forming the protein-aroma compound complex, thus enhancing the resultant binding ability as evidenced by fluorescence quenching and SPME-GC/MS analysis.

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Journal of Materials Chemistry A · 2013 ·Vol. 1 ·期 47 ·15039-15045 · IF 0

Enhanced hydrogenation of olefins and ketones with a ruthenium complex covalently anchored on graphene oxide

Qingshan Zhao,Yang Li,Ru Liu,Ao Chen,Guoliang Zhang,Fengbao Zhang,Xiaobin Fan

Graphene oxide (GO) is a promising support for anchoring homogeneous metal complexes because of its two-dimensional structure, huge surface area and diversity for chemical functionalizations. In this study, a ruthenium supported catalyst has been synthesized by covalently bonding a ruthenium complex (RuCl2(PPh3)3) onto the GO surface through coordination interaction with aminosilane ligand spacers. The supported catalyst showed enhanced catalytic performance towards hydrogenation of olefins and ketones compared with the homogeneous analogue, and it could be readily recycled and reused several times without discernible loss of its activity.

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FOOD CHEMISTRY · 2013 · IF 3.334

Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China

Yunzi Feng,Yu Cai,Guowan Su,Haifeng Zhao,Chenxia Wang,Mouming Zhao

Two types of Chinese soy sauce , high-salt liquid-state fermentation soy sauce (HLFSS) and low-salt solid-state fermentation soy sauce (LSFSS), were used to investigate their differences in aroma profile by headspace solid-phase microextraction (HS-SPME) and gas chromatography-olfactometry/mass spectrometry (GC-O/MS). Results from descriptive sensory analysis showed that the alcoholic, cooked potato-like and caramel-like attributes were significantly higher in HLFSS, while LSFSS exhibited significantly higher sour and burnt attributes. In addition, aroma extract dilution analysis (AEDA) revealed 37 and 33 odour-active regions for HLFSS and LSFSS, respectively. Ethanol, 3-methyl-1-butanol, phenylacetaldehyde , 4-ethyl-2-methoxyphenol, 2-methoxy-4-vinylphenol and 3-(methylthio)propanal detected in HLFSS showed the highest flavour dilution (FD) factors, while 3-methylbutanal, phenylacetaldehyde and ethyl propanoate possessed the highest FD factors in LSFSS. Therefore, the traditional Chinese soy sauce HLFSS contained more complex volatiles and exhibited a richer aromatic profile compared with LSFSS.

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FOOD CHEMISTRY · 2014 · IF 3.259

Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test

Yunzi Feng,Guowan Su,Haifeng Zhao,Yu Cai,Chun Cui,Dongxiao Sun-Waterhouse,Mouming Zhao

Twenty-seven commercial soy sauces produced through three different fermentation processes (high-salt liquid-state fermentation soy sauce, HLFSS; low-salt solid-state fermentation soy sauce, LSFSS; Koikuchi soy sauce, KSS) were examined to identify the aroma compounds and the effect of fermentation process on the flavour of the soy sauce was investigated. Results showed that 129 volatiles were identified, of which 41 aroma-active components were quantified. The types of odorants occurring in the three soy sauce groups were similar, although their intensities significantly differed. Many esters and phenols were found at relatively high intensities in KSS, whereas some volatile acids only occurred in LSFSS. Furthermore, 23 aroma compounds had average OAVs   >   1, among which 3-methylbutanal, ethyl acetate, 4-hydroxy-2-ethyl-5-methyl-3(2 H )-furanone, 2-methylbutanal and 3-(methylthio)propanal exhibited the highest average OAVs (>100). In addition, omission tests verified the important contribution of the products resulting from amino acid catabolism to the characteristic aroma of soy sauce.

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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2014 ·Vol. 95 ·期 5 ·915-921 · IF 1.879

Characterization of volatile aroma compounds in different brewing barley cultivars

Liang Dong,Yingmin Hou,Feng Li,Yongzhe Piao,Xiao Zhang,Xiaoyu Zhang,Cheng Li,Changxin Zhao

BACKGROUND Beer is a popular alcoholic malt beverage resulting from fermentation of the aqueous extract of malted barley with hops. The aroma of brewing barley impacts the flavor of beer indirectly, because some flavor compounds or their precursors in beer come from the barley. The objectives of this research were to study volatile profiles and to characterize odor-active compounds of brewing barley in order to determine the variability of the aroma composition among different brewing barley cultivars. RESULTS Forty-one volatiles comprising aldehydes, ketones, alcohols, organic acids, aromatic compounds and furans were identified using solid phase microextraction combined with gas chromatography/mass spectrometry, among which aldehydes, alcohols and ketones were quantitatively in greatest abundance. Quantitative measurements performed by means of solvent extraction and calculation of odor activity values revealed that acetaldehyde, 2-methylpropanal, 3-methylbutanal, 2-methylbutanal, hexanal, heptanal, octanal, nonanal, 3-methyl-1-butanol, cyclopentanol, 2,3-butanedione, 2,3-pentanedione, 2-heptanone, acetic acid, ethyl acetate, 2-pentylfuran and benzeneacetaldehyde, whose concentrations exceeded their odor thresholds, could be considered as odor-active compounds of brewing barley. CONCLUSION Principal component analysis was employed to evaluate the differences among cultivars. The results demonstrated that the volatile profile based on the concentrations of aroma compounds enabled good differentiation of most barley cultivars. © 2014 Society of Chemical Industry

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JOURNAL OF CHROMATOGRAPHY A · 2016 · IF 3.926

Performance and selectivity of dicyanuric-functionalized polycaprolactone as stationary phase for capillary gas chromatography

Jianlin Peng,Yonggang Shi,Zhishuai Yang,Meiling Qi,Feng Wang

Dicyanuric-functionalized polycaprolactone (DPCL) was explored for its separation performance in gas chromatography (GC). The statically coated DPCL capillary column (0.25   mm, i.d.) showed column efficiency of 3460 plates/m determined by naphthalene at 120   °C. McReynolds constants and Abrahaḿs system constants were also determined to evaluate the polarity and possible molecular interactions of the stationary phase. As a result, DPCL column exhibited excellent separation performance for diverse types of analytes with good peak shapes. Most interestingly, it shows unique amphiphilic selectivity and high-resolution capability for both apolar to polar isomers. In addition, DPCL column had good column repeatability with the RSD values below 0.06% for run-to-run, 0.09–0.40% for day-to-day and 1.7–3.6% for column-to-column, and good thermal stability up to 280   °C. The high selectivity and resolving capability demonstrate the great advantages of the DPCL stationary phase for simultaneous determination of analytes of great variety in complex samples.

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ANALYTICAL CHEMISTRY · 2024 · IF 6.7

Developing Multiple Media Approach to Investigate Reproducible Characteristic VOCs of Lung Cancer Cells

Jijuan Zhou,Dianlong Ge,Yue Liu,Yajing Chu,Xiangxue Zheng,Yan Lu,Yannan Chu

Cellular volatile organic compound (VOC) detection is crucial for studying lung cancer biomarkers. However, the reported VOC biomarkers from the same cell line seem to be inconsistent across different research groups. It is possibly related to the variation in culture media, and the result obtained by a conventional single medium approach (SMA) depends on what medium is used in the cell experiment. This study proposes a multiple media approach (MMA) to investigate reproducible characteristic VOCs of lung cancer cells. Using solid-phase microextraction–gas chromatography–mass spectrometry (SPME-GC-MS) in combination with untargeted analysis, we conducted two independently repetitive experiments to compare lung cancer cells (A549) and normal lung cells (BEAS-2B) under three culture media conditions (RPMI 1640, DMEM, and Ham’s F12). Both experiments indicated that, compared with 62–96 VOCs obtained by the SMA, only two VOCs (3-methyl-1-butanol and 2-methyl-1-butanol) were reproducibly achieved by the MMA. Moreover, their concentrations were significantly lower in lung cancer cells than in normal cells. Further targeted analysis confirmed the downregulation trend of both VOCs in subcutaneous and primary tumor tissues from the lung cancer model mouse. The present work demonstrated that the MMA cell experiment, just like the multicenter trials for cell lines, can facilitate the discovery of reproducible characteristic VOCs. This provides a cellular experimental basis and scientific evidence for lung cancer biomarker investigation and even breath biopsy technique development.

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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

Discrimination of coal geographical origins through HS-GC-IMS assisted with machine learning algorithms in larceny case

Wenhui Lu,Chunli Ding,Mingshuo Zhu

The process of globalization and industrialization has resulted in a rise in the theft of coal and other related products, thereby becoming a focal point for forensic science. This situation has engendered an escalated demand for effective detection and monitoring technologies. The precise identification of coal trace evidence presents a challenge with current methods, owing to its minute quantity, fine texture, and intricate composition. In this study, we integrated machine learning with the identification of volatiles to accurately differentiate coal geographical origins through the application of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). The topographic distribution of volatiles in coals was visually depicted to elucidate the subtle distinctions through spectra and fingerprint analysis. Additionally, four supervised machine learning algorithms were developed to quantitatively predict the geographical origins of natural coals utilizing the HS-GC-IMS dataset, and these were subsequently compared with unsupervised models. Remarkable volatile compounds were identified through the quantitative analysis and optimal Random Forest model, which offered a rapid readout and achieved an average accuracy of 100 % in coal identification. Our findings indicate that the integration of HS-GC-IMS and machine learning is anticipated to enhance the efficiency and accuracy of coal geographical traceability, thereby providing a foundation for litigation and trials.

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Heliyon · 2024 · IF 3.4

Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef

Yimeng Ren,Longzhu Zhou,Yujie Shi,Yanan Yu,Weihai Xing,Qingyu Zhao,Junmin Zhang,Yueyu Bai,Jing Li,Chaohua Tang

Beef flavor profiles are strongly influenced by cooking methods and lipid composition. However, the effect of instant-boiling on the aroma of different beef slices was unclear. This study investigated the lipid profiles and instant-boiling volatile profiles of chuck tender (M. Supraspinatus ), sirloin (M. Longissimus dorsi ) and silverside (M. Biceps femoris ). Quantitative lipidomics identified 336 lipid molecular species, of which 84–112 were quantitatively different among the three beef slices. Sirloin had lower phosphatidylcholine, phosphatidylinositol, phosphatidylglycerol and free fatty acids than chuck tender and silverside. The unsaturated fatty acid acyl chains in phosphatidylethanolamine differed significantly. Solid phase microextraction-gas chromatography-olfactometry-mass spectrometry (SPME-GC-O-MS) identified hexanal, octanal, nonanal, decanal, (E)-2-octenal, (E)-2-nonenal, (E)-2-undecenal, (E,E)-2,4-nonadienal, (E,E)-2,4-decadienal, 1-octen-3-ol, 2-pentylfuran and acetoin as the aroma-active compounds of instant-boiled beef. Unsaturated free fatty acids and phosphatidylglycerols with unsaturated fatty acid residues positively correlated with the aroma-active compounds and might be crucial in flavor differences among the three beef slices. These findings provide greater understanding of the lipid and instant-boiling aroma-active compound profiles in chuck tender, sirloin and silverside, and reflect the suitability of different beef slices for instant-boiling from the aroma perspective.

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MOLECULES · 2025 ·Vol. 30 ·期 6 ·1238 · IF 4.6

Identification and Characterization of Volatile Organic Compounds Based on GC-IMS Technology in Different Organs of Lilium brownii var. viridulum and After Bud-Removal and Non-Bud-Removal Treatments

Xiaoling Li,Zhihui Wang,Chaowen Hou,Xiujuan Gong,Zexiang Liu,Yuhe Shi,Jianye Yan,Qiaozhen Tong

Lilium browniivar.viridulum(Longya lily) is a widely used medicinal and culinary plant in China that is valued for its potential applications and development opportunities. The bulbs of Longya lily contain a variety of active components; volatile oil, as one of the main biologically active compounds, has been widely studied, and the stems, leaves, and flowers of Longya lily are also rich in volatile organic compounds (VOCs) and related pharmacological effects, but the horizontal comparison of different organs of lily plants is lacking. In order to promote the sustainable development of resources, the composition characteristics and differences of bulbs, stems, leaves, and flowers, as well as two crop management methods (bud-removal and non-bud-removal), were comprehensively studied by GC-IMS technology in this study. Additionally, multivariate statistical analyses were used to identify the key components responsible for the observed differences among the plant organs and treatments. The research identified a total of 93 volatile organic compounds in Longya lily samples, primarily consisting of aldehydes, alcohols, ketones, and esters. If the VOCs of Longya lily are to be used as raw materials, it is advisable to choose flowers and leaves with a higher concentration of these components for harvesting. Notably, bulbs that were non-bud-removal exhibited a greater total content of volatile flavor substances compared to those that were treated with bud removal, with hexanal-D and (E)-2-hexenal-D being the most prevalent volatile organic compounds. This study provided theoretical support for the harvesting parts and crop management methods of Longya lily based on volatile organic compounds and promoted the high-quality development of the Longya lily industry.

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Processes · 2024 ·Vol. 12 ·期 7 ·1332 · IF 2.8

Impact of Drying Processes for Camellia Seeds on the Volatile Compounds of Camellia Seed Oil

Li Ma,Jing Gao,Zhen Zhang,Xiaoyang Zhu,Bolin Chen,Yongzhong Chen,Senwen Deng,Zhigang Li,Xinzhi Chen

The drying process employed for camellia seeds has a significant impact on the quality of camellia seed oil (CO), but research on its influence on the flavor of CO is limited. This study investigated the effects of two typical drying processes, sun-drying and hot-air-drying, on the volatile composition of CO using Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) technology. The results revealed that the CO obtained from hot-air-drying seeds exhibited a higher content of saturated fatty acids, while the levels of unsaturated fatty acids decreased. Additionally, the acid value and peroxide value of the CO obtained from hot-air-drying seeds were also elevated. GC-IMS analysis detected a total of 53 volatile compounds (including monomers and dimers) in the CO. Notably, aldehyde compounds exhibited the highest relative content (38.56–40.75%), followed by alcohols (32.14–38.01%), acids (4.86–14.58%), and esters (3.61–17.73%), while ketones exhibited relatively lower content (2.33–3.75%). The fingerprint profiles indicated that most of the flavor compounds exhibited differences in their content between the two samples. Specifically, the relative abundance of complex aldehyde and ester compounds was higher in the hot-air-dried sample compared to the sun-dried one, while the relative content of acid compounds decreased significantly. The relative odor activity value (ROAV) method identified hexanal as the most important key aroma component in both oil samples. The fingerprint profiles combined with principal component analysis (PCA) demonstrated that GC-IMS can effectively distinguish samples obtained from different drying treatments. Therefore, through the adjustment of drying methods, CO with various flavor characteristics can be obtained. This study provides valuable theoretical and technical references for CO production and flavor research.

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