MOLECULES
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2022
·Vol. 27
·期 14
·4393
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IF 4.927
Chao Li,Huiying Wan,Xinlong Wu,Jiaxin Yin,Limin Zhu,Hanjiang Chen,Xinbo Song,Lifeng Han,Wenzhi Yang,Heshui Yu,Zheng Li
Volatile organic compounds (VOCs) are the main chemical components ofSchizonepetae Spica(SS), which have positive effects on the quality evaluation of SS. In this study, HS-SPME-GC-MS (headspace solid-phase microextraction-gas chromatography-mass spectrometry) and HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) were performed to characterize the VOCs of SS from six different regions. A total of 82 VOCs were identified. In addition, this work compared the suitability of two instruments to distinguish SS from different habitats. The regional classification using orthogonal partial least squares discriminant analysis (OPLS-DA) shows that the HS-GC-IMS method can classify samples better than the HS-SPME-GC-MS. This study provided a reference method for identification of the SS from different origins.Keywords:volatile organic compounds;Schizonepetae Spica;HS-SPME-GC-MS;HS-GC-IMS;OPLS-DA
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MOLECULES
·
2022
·Vol. 27
·期 10
·3253
·
IF 4.927
Qian Zhang,Chukwunonso P. Okoli
A new solid-phase extraction (SPE) method for the extraction, enrichment, and analysis of eight polybrominated diphenyl ethers (PBDEs) in water was developed. The current approach involves using a cross-linked starch-based polymer as an extraction adsorbent and determining the PBDE analytes of interest using gas chromatography-mass spectrometry in negative chemical ionization mode (GC-NCI-MS). The starch-based polymer was synthesized by the reaction of soluble starch with 4,4′-methylene-bis-phenyldiisocyanate as a cross-linking agent in dry dimethylformamide. Various parameters impacting extraction efficiencies, such as adsorbent quantity, sample volumes, elution solvents and volumes, and methanol content, were carefully optimized. The 500 mg of starch-based polymer as an adsorbent used to extract 1000 mL of spiked water, presented high extraction recoveries of eight PBDEs. The linearity of the extraction process was investigated in the range of 1–200 ng L−1for BDE-28, 47, 99, 100, and 5–200 ng L−1for BDE-153, 154, 183, and 209, with coefficients of determination (r2) exceeding 0.990 for all PBDEs. The limits of detection (LODs) ranged from 0.06 to 1.42 ng L−1(S/N = 3) and the relative standard deviation values (RSD) were between 3.6 and 9.5 percent (n= 5) under optimum conditions. The method was successfully used to analyze river and lake water samples, where it exhibited acceptable recovery values of 71.3 to 104.2%. Considering the excellent analytical performance and comparative cost advantage, we recommend the developed starch-based SPE method for routine extraction and analysis of PBDEs in water media.Keywords:PBDEs;starch-based polyurethane polymer;SPE;GC-NCI-MS
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Sustainable Chemistry and Pharmacy
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2022
·
IF 5.464
Yao Chen,Fangxiang Xu,Mingmei Pang,Xiangzi Jin,Huihao Lv,Zuguang Li,Mawrong Lee
In recent years, deep eutectic solvents (DESs) as green and sustainable solvents have been widely used in the effective extraction of natural products. Usually, DESs are synthesized by heating and stirring method which takes a long time and energy. In this case, a microwave assisted preparation technique was used to form DESs for saving time and energy. And the DESs as pretreatment solvents were combined with microwave-assisted hydrodistillation (MAHD) for the extraction of essential oils (EOs) from the clove buds in this work. The maximum essential oils yield of 4.60% was obtained with the microwave power of 600 W, the pretreatment time of 5 min and the hydrodistillation time of 40 min using a deep eutectic solvent composed of choline chloride and lactic acid (molar ratio with 1:2). In addition, the essential oil was analyzed by gas chromatography-mass spectrometry (GC-MS), a total of 40 compounds were identified. Compared with MAHD, water-based MAHD and traditional hydrodistillation (HD), the content and composition of essential oil extracted by DES-based MAHD were higher. Thus, the combination of deep eutectic solvents with a microwave-assisted technique in this study provided an eco-friendly way of extracting essential oils.
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Journal of Analytical Methods in Chemistry
·
2021
·
IF 2.193
Guanjun Nan,Lina Zhang,Zhengzheng Liu,Yu Liu,Yan Du,Hongwen Zhao,Hongxia Zheng,Rong Lin,Guangde Yang,Shaohua Zheng
Eupatorium fortunei Turcz. is a widely used Chinese herbal medicine in China. In this study, a gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS) method was developed and validated to simultaneously determine the contents of p-cymene, thymol, neryl acetate, and β-caryophyllene in roots, stems, and leaves of Eupatorium fortunei Turcz. harvested at different growth periods. All four constituents could be detected in leaves, three could be detected in stems except β-caryophyllene, and only thymol could be detected in roots. The order of the total contents of four constituents in different parts was leaves > stems > roots. It indicated that the leaves could be the proper medicinal parts of Eupatorium fortunei Turcz. The content of four constituents in leaves varied a lot among different growth periods and showed an M-shaped change trend with the growth of Eupatorium fortunei Turcz. The four constituents accumulated to the highest values in early July followed by mid-September. Accordingly, the best harvest time of Eupatorium fortunei Turcz. is early July and mid-September.
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FOOD CHEMISTRY
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2024
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IF 8.5
Jingjing Liu,Yin Wan,Yanru Chen,Haowei Fan,Mengxiang Li,Qihai Jiang,Guiming Fu
Simultaneous inoculation of non- Saccharomyces cerevisiae during the alcoholic fermentation process has been found to be an effective strategy for enhancing wine flavor. This study aimed to investigate the effect of Torulaspora delbrueckii NCUF305.2 on the flavor of navel orange original brandy (NOOB) using E–nose combined with HS–SPME–GC–MS. The results showed a significant increase ( p < 0.05) in the sensitivity of NOOB to W5C, W3C, W1S, and W3S sensors by mixed fermentation (MF). Esters in NOOB increased by 4.13%, while higher alcohols increased by 21.93% ( p < 0.001), terpenes and others increased by 52.07% and 40.99% ( p < 0.01), respectively. Notably, several important volatile compounds with relative odor activity values above 10 showed an increase. Sensory analysis revealed that a more pronounced citrus-like flavor and higher overall appearance scores were found in MF than in pure fermentation (PF). These findings offer valuable theoretical guidance for enhancing the quality of fruit brandies.
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INDUSTRIAL CROPS AND PRODUCTS
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2024
·
IF 5.6
You Zhou,De Qiang Qin,Min Xing Zhang,Miao Sun,Lu Sheng Wan,Jing Sheng Chen
Metabolomics approaches are becoming a powerful analytical technique for exploring bioactive molecules in essential oils. The prevalence of imported red fire ants affected the environment, biodiversity of wildlife, infrastructure, and hypersensitivity reactions of people. Due to public health and environmental issues, essential oils as environmentally friendly alternatives to synthetic chemical insecticides in fire ant management have attracted great attention. However, there is a lack of an objective strategy suitable for identifying bioactive molecules that can guarantee the quality of essential oil biopesticides . Therefore, a metabolomics approach with four main steps, including bioassays, GC MS analysis of chemical constitution, construction of multivariate OPLS and univariate Pearson correlation statistical models, and feature selection, was proposed in this study to verify its potential to find bioactive molecules in essential oils that are effective against red imported fire ants. The fumigation mortalities of 20 commercial essential oils ranged from 0 to 100%. A total of 296 mass features were deconvoluted, and 121 of them were identified. Then, 52 potential bioactive molecules were selected by both VIP > 1.0 and P < 0.05. Finally, 6 of these potential bioactive molecules, (+)− 2-bornanone,.beta.-pinene, eucalyptol , isoborneol, linalool , and L-.alpha.-terpineol, have shown good fumigation toxicity against minor and/or major red imported fire ant workers. This study has, in certain aspects, supported the feasibility of this metabolomics approach. It could be helpful for natural molecules to be alternatives to synthetic chemical insecticides, leading to more environmentally friendly and sustainable management policies for red imported fire ants.
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Food Chemistry-X
·
2024
·
IF 6.5
Qiao Huang,Ying Liu,Lei Tian,Fuqiang Xiong,Zongjun He,Yanhui Zhao,Shuangquan Xiang,Xianping Qiu,Jianshen Yu,Tongwei Guan
By examining and analyzing bran-free fermented Baijiu (BFB) with varying storage periods (0–20 years), it was observed that the overall concentration of volatile compounds initially increases and subsequently decreases over time. Furthermore, BFB exhibited more kinds of long chain esters, higher concentration of acetals, and reduced furfural content. The process of cellaring can enhance the aged, sweet, and fruity aroma of BFB. 16 flavor compounds, including 1,1-diethoxyethane, ethyl dodecanoate, and ethyl hexadecanoate, can be used as markers for vintage BFB, and electronic sensory technology was capable of discerning BFB in different years. The results of redundancy analysis (RDA) showed a positive correlation between metals and aldehydes, esters, and ketones, while indicating a negative correlation with acids and alcohols. Al, Fe, and Ca underwent the most significant changes during storage period, and they were positively correlated with differential substances, such as benzaldehyde, vanillin, ethyl isovalerate, and ethyl palmitate ( P < 0.01).
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LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
·
IF 6
Huinan Zhai,Wenjiang Dong,Yumei Tang,Rongsuo Hu,Xinxin Yu,Xiaoai Chen
In this study, coffee samples from seven primary processing methods—traditional dry processing (CG), dry processing I (GA), dry processing II (GB), traditional wet processing (CS), honey processing I (MA), honey processing II (MB), and honey processing III (MC)—underwent comprehensive investigation using HS-SPME/GC-MS and HS-GC-IMS. A total of 81 and 96 VOCs were identified by GC-MS and GC-IMS, respectively. The differences in VOCs among various primary processing samples were observed. The results demonstrated increased volatilization of coffee flavor substances due to anaerobic fermentation. CG, GA, and GB samples exhibited high levels of fruity, floral, and sweet aromas. Conversely, honey processing methods (MA, MB, and MC) enhanced the caramel, roasted aroma, and buttery flavor of coffee samples. PCA and PLS-DA successfully categorized coffee beans based on their aroma properties. These findings indicated that honey processing, combined with drying, significantly influenced coffee bean VOCs, enhancing caramel, roasted aroma, and buttery flavor—crucial for the characteristic volatile metabolites of Yunnan arabica coffee beans.
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Food Chemistry-X
·
2025
·
IF 8.2
Haining Guan,Wenxiu Zhang,Yanli Tian,Siqi Leng,Shifa Zhao,Dengyong Liu,Xiaoqin Diao
The research utilized a combination of gas chromatography–mass spectrometry (GC–MS), gas chromatography-ion mobility spectrometry (GC-IMS), and E -nose to examine the impact of fat addition on the aroma profile of chicken white soup. The concentration of volatile flavor compounds in the white soup significantly increased with rising fat addition. A total of 105 volatile compounds were detected in the soup through GC–MS, and 72 by GC-IMS. Moreover, adding 2 % fat could effectively enhance the aroma of the chicken soup, and the soup exhibited the highest concentration of free amino acids (211.29 μg/mL) and nucleotides (27.55 mg/100 mL). However, the taste activity value of 5′-nucleotides was below 1, suggesting that fat addition had minimal impact on the umami taste of white soup. The study demonstrates that appropriate fat supplementation can enhance the aroma of chicken white soup and lays a theoretical groundwork for the advancement of premium-quality chicken white soup with rich aroma.
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FOOD RESEARCH INTERNATIONAL
·
2025
·
IF 8
Zhiqiang Zheng,Weiwei Wu,Zhihui Wang,Peng Zhang,Bangxing Ma,Yan Huang,Weijiang Sun
Cocoa aroma is a pleasant and highly market-accepted aroma type in white tea, yet its underlying key aroma components remain unclear. In this study, sensory quantitative descriptive analysis (QDA), gas chromatography–mass spectrometry (GC–MS), gas chromatography-olfactometry (GC-O), molecular docking , and aroma addition tests were employed to elucidate the aroma characteristics and aroma profile of cocoa aroma white tea (CCWT), traditional white tea (WT) and cocoa beans (CC), and then construct a comprehensive aroma flavor wheel. It was observed that CCWT consists of a composite aroma dominated by Cocoa aroma, accompanied by flowery, sweet, and herbal aroma. Ten compounds were identified as key aroma constituents in CCWT, including linalool , nerol , and β-ionone. Notably, isovaleraldehyde , 2-methylbutyraldehyde, and phenylacetaldehyde were identified as the primary aroma components contributing to the cocoa aroma. Molecular docking results revealed that 3 key aroma components generate cocoa aroma through hydrogen bonding and hydrophobic interactions with olfactory receptors , with binding energies of less than −4 kcal/mol. The addition tests indicated that isovaleraldehyde and 2-methylbutyraldehyde primarily contribute to the cocoa aroma in CCWT, while phenylacetaldehyde likely enhances this aroma through synergistic effects with other compounds. This research provides essential scientific support for enhancing white tea quality and guiding product development. A solid foundation has been established to facilitate sustainable growth of the broader tea industry.
研究领域:
食品科学
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感官科学
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分析化学
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分子生物学
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茶叶化学
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香气化学
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Foods
·
2025
·Vol. 14
·期 13
·2305
·
IF 5.1
Dongbing Yu,Yu Gu
The evaluation of aroma-active profiles in dry-cured hams is crucial for determining quality, flavor, consumer acceptance, and economic value. This study characterized the volatile compounds in five varieties of dry-cured hams using gas chromatography-mass spectrometry-olfactometry (GC-MS-O) and an electronic nose (E-Nose). In total, 78 volatile compounds were identified across five varieties of dry-cured hams. A total of 29 compounds were recognized as aroma-active compounds. Odor description, intensity, and hedonic assessment were employed to evaluate these compounds. Black Hoof Cured Ham and Special-grade Xuan-Zi Ham contained higher levels of favorable compounds such as nonanal, 5-butyldihydro-2(3H)-furanone, and 2,6-dimethylpyrazine, contributing to sweet and popcorn-like notes. In contrast, Fei-Zhong-Wang Ham and Liang-Tou-Wu Ham exhibited higher proportions of off-odor compounds with lower hedonic scores. A principal component analysis clearly separated the five hams based on their aroma-active profiles, and a correlation analysis between E-Nose sensor responses and GC-MS-O data demonstrated a strong discriminatory ability for specific samples. These findings offer valuable insights into the chemical and sensory differentiation of dry-cured hams and provide a scientific basis for quality control, product development, and future improvements in E-Nose sensor design and intelligent aroma assessment.
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Food Chemistry-X
·
2025
·
IF 8.2
Huan Liu,Shuqi Zhao,Jingyu Li,Xinhe Zhang,Wenjing Li,Chanchan Sun,Chengyu Zeng,Cheng Li,Jiangyan Yu,Fengxue Zhang,Junke Li
The change of aroma fingerprint and its corresponding precursors during pork roasting remains unclear. The formation of key aroma compounds in roasted pork was determined through multidimensional mass spectrometry. The results indicated that the roasted pork exhibited pronounced roasty, fatty, meaty, sweet, and grassy notes. Thirty-nine key aroma compounds were identified, such as 2-ethyl-3,5-dimethylpyrazine, ( E, E )-2,4-nonadienal, and 1-octen-3-ol. Particularly, the pyrazines and unsaturated aldehydes were key contributors to the roasty and fatty aromas, respectively. The linoleic acid and oleic acid served as critical precursors for the generation of carbonyls and alcohols. The glucose, arginine, glycine, and alanine were essential precursors for the formation of pyrazines. Notably, the 1-octen-3-ol emerged as a key marker discriminating different roasting durations. The structural unfolding of proteins facilitated both the generation and retention of key odorants. These findings provided new insight for targeted regulation and quality control of aroma development in roasted meat products.
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