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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2023 ·Vol. 103 ·期 15 ·7631-7642 · IF 4.1

Simultaneous qualitative and quantitative analyses of volatile components in Chinese honey of six botanical origins using headspace solid-phase microextraction and gas chromatography–mass spectrometry

Dongshuang Liang,Haosong Wen,Yaxuan Zhou,Taohong Wang,Guangqun Jia,Zongyan Cui,Adan Li

Background Honey aroma is one of its most important properties and it depends on the qualitative and quantitative composition of the volatile compounds. The volatile profile of honey could reveal its botanical origin to avoid a false characterization. Thus, it is of great significance to honey authentication. This study developed and validated a headspace solid-phase microextraction and gas chromatography–mass spectrometry (HS-SPME-GC–MS) method for simultaneous qualitative and quantitative analyses of 34 volatile components in honey. The developed method was applied to 86 honey samples from six different botanical origins, including linden honey, rape honey, jujube honey, vitex honey, lavender honey and acacia honey. Results The volatile fingerprints and quantitative results were simultaneously obtained by using the full scan and selected ion monitoring (SCAN+SIM) MS scanning mode. The limits of quantification (LOQs) and limits of detection (LODs) of 34 volatile compounds were in the ranges of 1–10 ng/g and 0.3–3 ng/g, respectively. And the spiked recoveries ranged between 70.6% and 126.2%, with the relative standard deviations (RSDs) not higher than 45.4%. A total of 98 volatile compounds were found with relative contents determined, and the 34 volatile compounds were determined with absolute concentrations. Based on the volatile fingerprints and the contents of volatile compounds, honey samples from six botanical origins were well classified by principal component analysis and orthogonal partial least-squares discrimination analysis. Conclusions The HS-SPME-GC–MS method was successfully applied to achieve the volatile fingerprints of six types of honey and to quantitatively analyze 34 volatile compounds with satisfying sensitivity and accuracy. Chemometrics analysis showed significant correlations between honey types and volatiles. These results reveal the characteristics of volatile compounds in six types of unifloral honey and provide some supports for honey authentication. © 2023 Society of Chemical Industry.

研究领域: 食品科学 · 分析化学
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ARCHIVES OF MICROBIOLOGY · 2024 ·Vol. 206 ·期 3 ·1-17 · IF 2.3

Analysis of antimicrobial biological activity of a marine Bacillus velezensis NDB

Wang Ze,Zhang Wenwen,Wang Ziyan,Zhang Zhixuan,Liu Yan,Liu Songyi,Wu Qiaoli,Saiding Emilaguli,Han Jiaojiao,Zhou Jun,Xu Jiajie,Yi Xianghua,Zhang Zhen,Wang Rixin,Su Xiurong

A new strain of Bacillus velezensis NDB was isolated from Xiangshan Harbor and antibacterial test revealed antibacterial activity of this strain against 12 major pathogenic bacteria. The whole genome of the bacterium was sequenced and found to consist of a 4,214,838 bp circular chromosome and a 7410 bp circular plasmid. Furthermore, it was predicted by AntiSMASH and BAGEL4 to have 12 clusters of secondary metabolism genes for the synthesis of the inhibitors, fengycin, bacillomycin, macrolactin H, bacillaene, and difficidin, and there were also five clusters encoding potentially novel antimicrobial substances, as well as three bacteriocin biosynthesis gene clusters of amylocyclicin, ComX1, and LCI. qRT-PCR revealed significant up-regulation of antimicrobial secondary metabolite synthesis genes after 24 h of antagonism with pathogenic bacteria. Furthermore, MALDI-TOF mass spectrometry revealed that it can secrete surfactin non-ribosomal peptide synthase and polyketide synthase to exert antibacterial effects. GC-MS was used to analyze methanol extract of B. velezensis NDB, a total of 68 compounds were identified and these metabolites include 16 amino acids, 17 acids, 3 amines, 11 sugars, 11 alcohols, 1 ester, and 9 other compounds which can inhibit pathogenic bacteria by initiating the antibiotic secretion pathway. A comparative genomic analysis of gene families showed that the specificity of B. velezensis NDB was mainly reflected in environmental adaptability. Overall, this research on B. velezensis NDB provides the basis for elucidating its biocontrol effect and promotes its future application as a probiotic.

研究领域: 微生物学 · 分子生物学 · 生物技术
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Food Analytical Methods · 2020 ·Vol. 14 ·期 3 ·616-630 · IF 2.667

Gas Chromatography-Mass Spectrometry Analysis as a Tool to Reveal Differences Between the Volatile Compound Profile of Royal Jelly Produced from Tea and Pagoda Trees

Qi Dandan,Ma Chengying,Wang Wenwen,Zhang Licui,Li Jianke

Royal jelly produced by nurse bees from tea tree (tea royal jelly) is a special bee product in China and it is popular with consumers owing to its multiple healthcare functions. However, the volatile compound profile of tea royal jelly has not been investigated. To obtain a comprehensive understanding of volatile compound profile of tea royal jelly, a method based on headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME/GC-MS) and chemometric analysis was applied. Moreover, two royal jelly samples produced from pagoda tree were also investigated to reveal the difference in volatile compounds between royal jelly produced from tea tree and other plants. A total of 66 volatile compounds were identified in tea royal jelly, including 16 alkanes, 14 aldehydes, 9 alcohols, 9 ketones, 8 esters and lactones, 5 phenols, 2 organic acids, and 3 other compounds, and most of them were discovered in royal jelly for the first time. Notably, α -ionone, an important aroma compound in tea, was first identified in tea royal jelly. Moreover, the result of chemometric analysis indicates a significant difference on volatile compound profile between royal jelly produced from tea and pagoda trees. To sum up, 35 differential compounds were identified and they could well distinguish royal jelly samples. Our data offers the first characterization of volatile compound profile of tea royal jelly and significantly expands the knowledge of volatile compounds in royal jelly. It is potentially useful as a new approach to distinguish royal jelly produced from different botanical origins. Graphical abstract

CAS / MDL: 100-51-6 100-52-7
研究领域: 食品科学 · 化学分析 · 蜂产品研究
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SENSORS AND ACTUATORS B-CHEMICAL · 2024 · IF 8

A general method for trace substance detection based on cross-correlation theory

Ziyi Wang,Ruimin Song,Weigen Chen,Jianxin Wang,Pinyi Wang,Zifeng Ming,Zhixian Zhang

In order to improve the limit of detection (LOD) of trace substances, a general signal analysis and processing method based on cross-correlation theory is proposed, including correlation detection methods and multi-channel signal modified methods. In this paper, both methods were validated on Raman and GC-MS detection, trace substance in insulating oil (dibenzyl disulfide) is introduced as an example, and verification test of multi-substances detection is also conducted. More generally, the cross-correlation theory based method can be applied to all detection based on spectral peak areas. After applying this method, the LOD can be considerably improved. The traditional detection method based on linear fitting between characteristic peak area and trace substance concentration is implemented as a benchmark. The LOD of Raman detection in traditional way is 338.51 ppm, The LOD of GC-MS detection in traditional way is 317.26 ppb. The correlation detection results show that the LOD of Raman spectroscopy and GC-MS are respectively increased by 1.90/2.76 times compared with traditional way. And when the multi-channel signal modified method is introduced, the qualitative LOD of Raman detection reaches 9.8 ppm (number of channel is 100), the qualitative LOD of GC-MS detection reaches 39.1 ppb (number of channel is 10). Comparative study with conventional noise reduction methods have also been carried out, and the results show that correlation detection and multi-channel signal modified method are superior to them.

研究领域: 分析化学 · 信号处理 · 光谱学
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INDUSTRIAL CROPS AND PRODUCTS · 2022 · IF 6.449

Mechanochemical-assisted extraction of essential oils from Citrus aurantium L. var. amara Engl.

Peixi Zhu,Mengya Hao,Feng Su,Wenhao Xu,Qihong Zhang,Weike Su,Erwin Adams

Mechanochemistry is a process that could convert mechanical energy into the substance's internal energy to induce changes. In the current study, mechanochemistry was employed for the first time to extract the essential oil from Citrus aurantium L . var. amara Engl . Materials and reagents were ground at high speed in a planetary ball mill and exposed to solvent extraction. To achieve the best extraction from Citrus aurantium L . var. amara Engl . , the following parameters were selected: 5% fumed silica A200 as solid reagent, ball milling at 300 r/min for 10 min and extraction with n-hexane (1 g/5 mL) during 30 min. These settings gave an essential oil yield of 6.60 ± 0.20%. This is 26 times higher than by hydrodistillation (0.25 ± 0.03%) and more than 3 times higher compared to reflux extraction (2.08 ± 0.16%). The extracts obtained by the three approaches were analysed applying GC-MS. A total of 65 components was identified, including 60 by mechanochemical-assisted extraction, 27 by hydrodistillation and 49 by reflux extraction. Furthermore, scanning electron microscopy was used to observe the changes in material surface structure by the effect of mechanochemical-assisted extraction.

研究领域: 植物学 · 化学工程 · 药用植物研究
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POLYMER TESTING · 2020 · IF 3.275

Study on pyrolysis behaviors of L-tyrosine-based phthalonitrile resin

Tao Zhou,Hang Xiao,Weifeng Peng,Bo Liang,Yao Liu,Jiangbo Lv,Jianghuai Hu,Ke Zeng,Gang Yang

The pyrolysis behaviors of l -tyrosine-based phthalonitrile(TPN) resin were investigated by thermogravimetric-Fourier transform infrared spectrometry-mass spectrometry (TG-FTIR-MS) and Pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS). The small molecules produced during pyrolysis process of TPN resin were tracked in real time by TG-FTIR-MS. The larger molecules ( m / z  > 40) from fast pyrolysis at 900 °C of the TPN resin using Py-GC/MS were identified. From TG-FTIR-MS and Py-GC/MS results, the production pathways of pyrolysis products such as CO 2 , CO, NH 3 , benzonitrile and phenol were analyzed. The possible pyrolysis mechanism of TPN resin under non-oxidizing gaseous environment was proposed. The results of this study provide the useful information for designing the molecular structure of l -tyrosine-based polymers which possessing high thermal stability.

研究领域: 材料科学 · 化学工程
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JOURNAL OF MOLECULAR STRUCTURE · 2022 · IF 3.841

Photochemical transformations of 2, 6-dichlorophenol and 2-chlorophenol with superoxide ions in the atmospheric aqueous phase

Mengyu Zhu,Jun Lu,Linchang Dong,Shuheng Hu,Shuchuan Peng,Chengzhu Zhu

The possible photochemical transformation pathways of chlorophenols (2, 6-dichlorophenol and 2-chlorophenol) with superoxide anion radical (O 2 ·− ) were studied by steady-state irradiation and 355 nm laser flash photolysis technique. O 2 ·− was generated by irradiating riboflavin O 2 -saturated solution with an UVA light (maximum at 365 nm). The steady-state experimental results suggested that the transformation efficiency of chlorophenols improved with the increase of the initial riboflavin concentration and solution initial pH value, while the increase of chlorophenols concentration would inhibit the photochemical reaction. The second-order rate constant of the reaction of O 2 ·− with 2, 6-DCP phenoxyl radical (2, 6-DCP · ) and 2-CP phenoxyl radical (2-CP · ) were determined as (8.39 ± 0.99) × 10 9 L mol −1 s −1 and (5.17 ± 0.68) × 10 9 L mol −1 s −1 by laser flash photolysis techniques, respectively. The transformation of chlorophenols was accompanied by the formation of Cl − induced by superoxide radicals after the mixed riboflavin and chlorophenols solution with UVA irradiation. The main conversion products of the reaction between 2, 6-DCP and O 2 ·− were identified by GC-MS, as 2-chlorophenol, 2, 6-dichloro-1, 4-benzoquinone, 2, 6-dichloro-hydroquinone and 3-chlorocatechol, while 2-CP with O 2 ·− was 2-chloro-1, 4-benzoquinone, 2-chlorohydroquinone and phenol, respectively. The transformation pathways of 2, 6-DCP and 2-CP with O 2 ·− were also proposed.

研究领域: 环境科学 · 化学
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FOOD CHEMISTRY · 2025 · IF 9.8

Sensory wheel construction and key flavor compounds characterization of black tea milk tea beverages

Chen Yang,Kaikai Wei,Minghui Xu,Zhaojun Wang,Chuanjian Cui,Qianying Dai,Guijie Chen,Ruyan Hou

This study investigated the sensory characteristics of black tea milk teas (BTMTS) and explored their key aroma qualities. Through sensory evaluation, the mouthfeel, taste, and aroma profiles of BTMTS were identified, and the sensory wheel for BTMTS was constructed. Combining three aroma extraction methods (SPME, SBSE, SAFE), the volatile components of milk tea were comprehensively extracted. A total of 47 volatile compounds were identified using GC–MS and GC-O, with flavor dilution factors ranging from 1 to 512. Additionally, 21 compounds were confirmed as aroma-active (OAV ≥ 1). Through recombination and omission studies, 19 key aroma-active compounds were identified, including geraniol, trans-β-ionone, dimethyl sulfide, linalool, δ-decalactone, etc. Alcohols, ketones, aldehydes, esters, and acids provided violet, honey, rose, almond-like, coconut candy, cheese, and creamy characteristics in BTMTS. This research offers valuable insights into the flavor characterization and evaluation of BTMTS.

研究领域: 食品科学 · 分析化学
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Non-target and target quantitative metabolomics with quantitative aroma evaluation reveal the influence mechanism of withering light quality on tea aroma and volatile metabolites evolution

Jinjie Hua,Xizhe Zhu,Wen Ouyang,Yaya Yu,Ming Chen,Jinjin Wang,Haibo Yuan,Yongwen Jiang

Withering is the first and key process that influences tea quality, with light quality being a key regulatory factor. However, effects of withering light quality (WLQ) on transformation and formation pathways of tea aroma and volatile metabolites (VMs) remain unclear. In the present study, four WLQs were set up to investigate their effects on tea aroma and VMs. The results showed that blue and red light reduced the grassy aroma and improved the floral and fruity aroma of tea. Based on GC–MS/MS, 83 VMs were detected. Through VIP, significant differences, and OAV analysis, 13 key differential VMs were screened to characterize the differential impacts of WLQ on tea aroma. Further analysis of the evolution and metabolic pathways revealed that glycoside metabolism was the key pathway regulating tea aroma through WLQ. Blue light withering significantly enhanced glycosides hydrolysis and amino acids deamination, which was beneficial for the enrichment of floral and fruity VMs, such as geraniol, citral, methyl salicylate, 2-methyl-butanal, and benzeneacetaldehyde, as well as the transformation of grassy VMs, such as octanal, naphthalene, and cis -3-hexenyl isovalerate, resulting in the formation of tea floral and fruity aroma. The results provide theoretical basis and technical support for the targeted processing of high-quality tea.

CAS / MDL: 110-38-3
研究领域: 农业科学 · 食品科学 · 植物生理学
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Amphiphilic core–shell magnetic adsorbents for efficient removal and detection of phthalate esters

Yi Hao,Yuan Gao,Luyao Gao,Yulian He,Yingying Niu,Sameer Hussain,Ruixia Gao,Lisa D. Pfefferle,M. Shahid,Sicen Wang

A new class of amphiphilic magnetic adsorbents (denoted as Fe 3 O 4 -GPS-A) is fabricated by functionalization of the Fe 3 O 4 surface with six different amphiphilic silanizing agents that are specifically tailor-made to the chemical structure of PAEs. The resulting Fe 3 O 4 -GPS-A exhibit different contact angles due to the significant changes in functional groups, as revealed by 1 H NMR and FTIR spectroscopy. Among six Fe 3 O 4 -GPS-A, Fe 3 O 4 -DOA and Fe 3 O 4 -OAN exhibit a fast adsorption process (within 60 min) and high adsorption capacity for dibutyl phthalate (DBP) and dioctyl phthalate (DOP), two commonly used phthalate esters (173.7 mg g −1 for DOP and 104.4 mg g −1 for DBP), in conjunction with fast magnetic responsiveness and good thermal stability. The adsorption performance of Fe 3 O 4 -DOA and Fe 3 O 4 -OAN were well-maintained even after ten cycles. Besides, the adsorption mechanism was investigated through adsorption fitting models and theoretical calculations, which inferred that the interactions between adsorbent and adsorbate are mainly based on hydrophobic interactions along with secondary non-covalent contacts. Finally, the adsorbents combined with GC–MS analyses were applied to monitor DBP and DOP in the lake water samples. This work not only opens up a strategy for amphiphilic modification of magnetic adsorbents, but also provides a new avenue in their application for phthalate esters detection.

研究领域: 环境科学 · 材料科学
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Plants-Basel · 2023 ·Vol. 12 ·期 2 ·308 · IF 4.5

Volatile Metabolome and Aroma Differences of Six Cultivars of Prunus mume Blossoms

Ting Li,Xi Zhao,Xueli Cao

Prunus mumeis a traditional Chinese plant with high ornamental and application values due to its very early blooming and unique fragrance. Long-term breeding and cultivation have resulted in a variety ofP. mumeblossoms and have made their exploitation more possible. Existing studies on the volatile metabolome and aroma ofP. mumeblossoms are limited. In this study, six extensively planted cultivars ofP. mumeblossoms, including Gulihong (GLH), Yudie (YD), LvE (LE), Dongfang Zhusha (DFZS), Jiangmei (JM), and Gongfen (GF), were investigated for their differences in terms of volatile metabolome, as well as their aroma characteristics based on the strategies and methods of metabolomics. The volatile metabolites were analyzed using HS-SPME-GC-MS technique. A total of eighty-nine compounds were detected and sixty-five of them were tentatively identified, including thirty-seven phenylpropanoids/benzenes, seventeen fatty acid derivatives, ten terpenoids, and one other compound. YD contains the most volatile metabolites in terms of number and amounts, which impart more abundant aromas to this cultivar. Fifteen differential compounds were screened through the untargeted metabolic analysis of twenty-nine samples by principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA), while nine compounds were screened based on the odor activity value (OAV) analysis of the sixty-five identified compounds. GLH and GF, JM and LE were found to be more similar to each other based on chemometrics analysis of both volatile contents and OAVs, while YD and DFZS were markedly different from other cultivars. Six main metabolites, including benzaldehyde, methyl benzoate, benzyl acetate, eugenol, (E)-cinnamic alcohol, and 4-allylphenol, together with 2-nonenal, 3,4-dimethoxytoluene, and trans-β-Ionone were screened as differential compounds, owing to their higher contents and/or lower olfactory threshold, which endow an almond, cherry, phenolic, wintergreen, cananga odorata, floral, jasmine, hyacinth, cinnamon, clove, woody, medicinal, and violet fragrance to each variety, and greatly contribute to the aroma differences of six cultivars ofP. mumeblossom.Keywords:aroma;HS-SPME-GC-MS;Prunus mumeblossom;untargeted metabolomics;volatile metabolome

研究领域: 植物学 · 代谢组学 · 农学
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FOOD CHEMISTRY · 2023 · IF 8.8

Selection and quantification of volatile indicators for quality deterioration of reheated pork based on simultaneously extracting volatiles and reheating precooked pork

Zhijie Liu,Yiqun Huang,Shanshan Kong,Junjian Miao,Keqiang Lai

This study was to screen and quantify characteristic volatiles tied to the quality deterioration of reheated pork via simultaneously reheating (75 °C, 30 min) and collecting headspace volatiles of precooked pork (100 °C, 10 min; stored: 0 °C, 0–14 d) for GC–MS analysis. The concentrations of hexanal (6.05 ± 0.86–12.05 ± 0.44 mg/kg), ( E )-2-octenal (1.54 ± 0.16–3.07 ± 0.08 mg/kg), ( E,E )-2,4-heptadienal (1.52 ± 0.44–2.58 ± 0.31 mg/kg) and 8 other selected volatiles in reheated pork increased as the storage time of the precooked counterparts increased. The increase rate of hexanal was 2.9–199 times faster than that of other volatiles based on zero-order reaction fitting ( R 2  = 0.876–0.997). Results from clustering analysis of these volatiles were consistent with their formation pathways tied to lipid autooxidation . This simple approach, reheating and collecting volatiles of precooked meat concurrently, introduces a new possibility for standardizing volatile analysis of precooked meats required being reheated before consumption.

研究领域: 食品科学 · 分析化学
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