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Environmental Science and Ecotechnology · 2021 · IF 0

Insight into the role of binding interaction in the transformation of tetracycline and toxicity distribution

Bo Yang,Xin Cheng,Yongli Zhang,Wei Li,Jingquan Wang,Hongguang Guo

The transformation of free state organic micro-pollutants (MPs) has been widely studied; however, few studies have focused on mixed and bound states MPs, even though numerous ionizable organic MPs process a strong tendency to combine with dissolved organic matters in aquatic environments. This study systemically investigated the distribution and toxicity assessment of tetracycline (TET) transformation products in free, mixed and bound states during UV, UV/H 2 O 2 , UV/PS and CNTs/PS processes. A total of 33 major transformation products were identified by UPLC-Q-TOF-MSMS analysis, combining the double bond equivalence and aromaticity index calculations. The binding interaction would weaken the attack on the dimethylamino (-N(CH 3 ) 2 ) group and induce the direct destruction of rings A and B of TET through the analysis of 2D Kernel Density changes and density functional theory (DFT) calculations. Toxicity assessment and statistics revealed that the intermediate products with medium molecular weight (230≤ m / z  ≤ 380) exhibited higher toxicity, which was closely related to the number of the rings in molecular structures (followed as 2»3 > 1≈4). A predicted toxicity accumulation model (PTAM) was established to evaluate the overall toxicity changes during various oxidation processes. This finding provides new insight into the fate of bound MPs during various oxidation processes in the natural water matrix.

CAS / MDL: 71-00-1 67-56-1 75-65-0
研究领域: 环境科学 · 毒理学 · 化学
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JOURNAL OF FOOD SCIENCE · 2020 ·Vol. 85 ·期 5 ·1450-1461 · IF 2.479

Extraction for profiling free and bound phenolic compounds in tea seed oil by deep eutectic solvents

Xiaoqin Wang,Wencong Jia,Guoyin Lai,Lijuan Wang,María del Mar Contreras,Daomao Yang

Bound phenolic compounds have rarely been reported in vegetable oils and this may be due to little research about the extraction. Deep eutectic solvents (DESs), recently applied in the extraction of phenolic compounds as alternatives to organic solvents, were adopted in the extraction of free and bound phenolic compounds from tea seed oil in this work. First, the phenolic compounds were analyzed by ultra-high-performance liquid chromatography with quadrupole-time-of-flight and triple-quadrupole tandem mass spectrometry (UHPLC-Q-TOF-MS/MS) for characterization and UHPLC-QqQ-MS/MS for quantification and 25 phenolic compounds were found to exist in both free and bound forms. Then, DESs were screened for extraction of free and bound phenolic compounds from tea seed oil as the pretreatment for analysis and the results showed that hydrogen bond donors (HBDs) and temperature significantly affected the extraction efficiency of DESs. Finally, free phenolic compounds (83.91 µg/g) and bound phenolic compounds (25.71 µg/g), extracted by the DES with glycerol as HBD at 50 °C, were 51.0% and 93.2% higher than those extracted by methanol/water (60%, v/v), respectively. This work not only advanced the basic data of phenolic compounds in tea seed oil but also explored an efficient extraction method for scientific analysis of free and bound phenolic compounds.

研究领域: 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Untargeted metabolomics reveals the formation pathways of bound sulfite in sodium metabisulfite-soaked Hemerocallis citrina Baroni

Jianing Li,Zheng Zhou,Qi Wu,Zhaofang Liu,Lin Zhu,Shuhong Ye,Yan Ding

Hemerocallis citrina Baroni (HC) is usually soaked with sodium metabisulfite solution after harvest to keep its freshness. However, this will introduce bound sulfites with potential safety risks. In this study, formation pathways of bound sulfite in HC were explored using ultra-high performance liquid chromatography-Q-Exactive HF mass spectrometry (UHPLC-QE-MS) and statistical analysis. The results indicated that the chemical composition of HC changed the most at soaking times of 6–8 h and concentrations of 1.00–2.50 mg/mL. Primary metabolites and phenols in secondary metabolites were greatly affected during soaking. 71 compounds were identified in HC and 8 characteristic markers including 3 bound sulfites were screened which can be used to distinguish between non-soaked HC (NSHC) and sodium metabisulfite-soaked HC (SSHC). Among the 19 commercial HC samples analyzed, 79 % had been treated with sulfites. Mass spectrometry data further revealed two pathways of formation of bound sulfite in HC: one is the sulfonation of amino acids at the amino, the content initially increased with sulfite soaking time and concentration and then decreased until it disappeared; the other is that the addition of aldehyde at the carbonyl, the content increased continuously with sulfite soaking concentration. This study provides insight into bound sulfite formation in HC post‑sodium metabisulfite treatment.

CAS / MDL: 7681-57-4
研究领域: 食品科学 · 分析化学 · 植物代谢
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Foods · 2024 ·Vol. 13 ·期 11 ·1704 · IF 4.7

Extractions, Contents, Antioxidant Activities and Compositions of Free and Bound Phenols from Kidney Bean Seeds Represented by ‘Yikeshu’ Cultivar in Cold Region

Lei Zhu,Chuan Zhan,Xinchu Yu,Xixi Hu,Sibo Gao,Yanqing Zang,Di Yao,Changyuan Wang,Jingyu Xu

To thoroughly understand the profile of phenolic phytochemicals in kidney bean seeds cultivated in a cold region, the extractions, contents, antioxidant activities, compositions of free and bound phenols in the seed coat and cotyledon, and also relevant color attributes, were investigated. The results indicated that ultrasound-assisted extraction was an efficient method for free phenols. The bound phenols in seed coat and cotyledon were released more efficiently by alkali-acid and acid-alkali sequential hydrolysis, respectively. Under the optimized extractions, total phenols (TPC), flavonoids (TFC), and anthocyanins (TAC) ranged in 7.81–32.89 mg GAE/g dw, 3.23–15.65 mg RE/g dw, and 0–0.21 mg CE/g dw in the whole seeds of the five common kidney beans. There was a big difference in phenolic distribution between red and white seeds. From whole seed, the phenols in the four red cultivars mainly existed in free state (78.84%) and seed coat (71.56%), while the phenols in the white ‘Sark’ divided equally between free (51.18%) and bound (48.82%) states and consisted chiefly in cotyledon (81.58%). The correlation analyses showed that the antioxidant activities were significantly and positively correlated with TPC and TFC. The phenolic attributes were closely associated with the color of the seed coat. Red seeds had higher total contents of phenols than white seeds. TAC had a positively significant correlation with redness. Brightness and yellowness showed a negatively significant correlation with TPC, TFC, and antioxidant capacities, which were necessarily linked with redness degree and spot in red seeds. The spotted red ‘Yikeshu’ with the most outstanding performance on phenolic attributes was selected to analyze phenolic compounds with UHPLC-QE-MS. Among the 85 identified phenolics, 2 phenolic acids and 10 flavonoids were dominant. The characteristic phenolics in free and bound states were screened in both seed coat and cotyledon, respectively. The available information on the phenolic profile may expand the utilization of kidney beans as a nutritional ingredient in the food industry.

CAS / MDL: 631-61-8 64-19-7
研究领域: 食品科学 · 植物化学 · 营养学
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Foods · 2025 ·Vol. 14 ·期 17 ·3055 · IF 5.1

Process Optimization for Polyphenol Extraction from Macroalgae Residues and Assessment of Their Compositions, Antioxidant Activities, and Glycosidase Inhibition

Xianxian Luo,Hao Chen,Jiayi Mi,Xinyan Li,Ziheng Wu,Yan Jiang,Xiufang Dong

Macroalgae are often used to produce sodium alginate, but their by-products have not been fully utilized. This study aimed to optimize the extraction of bound polyphenols (BPs) from Macrocystis pyrifera (L.) residues, analyze the composition of free polyphenols (FPs) and BPs, and evaluate their antioxidant activities and ability to inhibit glycosidase activity. The optimal conditions for extracting BPs achieved by the response surface method were as follows: 50 °C, a solid–liquid ratio of 1:50, an alkaline hydrolysis time of 2.38 h, and a NaOH concentration of 8 mol/L. Polyphenol content determination results indicated that FPs had significantly higher total polyphenols (13.02 ± 0.05 μg GAE/mg) and phlorotannin (3.44 ± 0.04 μg PE/mg) than BPs (6.57 ± 0.07 μg GAE/mg and 1.32 ± 0.20 μg PE/mg). HPLC/ESI-QTOF-MS showed distinct profiles: FPs had one polyhydroxy phenol, nine flavonoids, and four additional compounds, whereas BPs had five flavonoids and four other compounds. Antioxidant activity was found to be higher in FPs than in BPs (DPPH: 3.03 vs. 1.79 μg TE/mg; FRAP: 19.40 vs. 7.43 μg TE/mg). Furthermore, FPs exhibited 4.59- and 11-fold higher inhibition capacity toward α-amylase and α-glucosidase, respectively, compared to BPs. The results provide valuable basic data for the application of macroalgae residues in the marine biological industry and reveal their potential hypoglycemic ability.

CAS / MDL: 1956-10-1
研究领域: 海洋生物技术 · 食品化学 · 天然产物研究 · 工艺优化 · 生物活性物质
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FOOD CHEMISTRY · 2021 · IF 7.514

Black tea aroma formation during the fermentation period

Qincao Chen,Yin Zhu,Yafang Liu,Yang Liu,Chunwang Dong,Zhi Lin,Jie Teng

The present study aimed to systematically investigate black tea aroma formation during the fermentation period. In total, 158 volatile compounds were identified. Of these, most amino acid-derived volatiles (AADVs) and carotenoid-derived volatiles (CDVs) showed significant increases, while fatty acid-derived volatiles (FADVs) and volatile terpenoids (VTs) displayed diverse changes during the fermentation period. During this time, fatty acids, amino acids, carotenoids, and glycosidically bound volatiles (GBVs, especially primeverosides) were found to degrade to form aroma components. Further, equivalent quantification of aroma showed that the intensity of green scent was notably decreased, while the intensities of sweet and floral/fruity scents were greatly increased and gradually dominated the aroma of tea leaves. AADVs and CDVs were shown to make greater contributions to the formation of sweet and floral/fruity scents than VTs. Our study provides a detailed characterization of the formation of sweet and floral/fruity aromas in black tea during the fermentation period.

研究领域: 食品科学 · 农学 · 化学
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Journal of Water Process Engineering · 2025 · IF 6.7

Bicarbonate ions enhanced surface Fe(II) regeneration and peroxymonosulfate activation on stainless-steel scrubber cathode for BPA degradation

Danni Deng,Rong Chen,Qianqian Zhong,Binbin Xiong,Jia Deng,Na Zhang,Shiwei Xie

Bicarbonate ions (HCO 3 − ), commonly present in natural water sources, exert complex influences on peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs). This study investigates the role of HCO 3 − in a novel electrochemical system using a stainless-steel scrubber cathode (SSSC) for PMS activation. The buffering effect of HCO 3 − shifts the dominant Fe(II) species from dissolved Fe 2+ ions to surface-bound Fe(II) (≡Fe(II)) within the HCO 3 − /PMS/SSSC system. Furthermore, HCO 3 − promotes ≡Fe(II)/≡Fe(III) redox cycling on the SSSC surface. These synergistic effects significantly enhance PMS activation, generating singlet oxygen ( 1 O 2 ) and Fe IV O as the primary oxidants responsible for BPA degradation. Identification of degradation intermediates elucidated two dominant pathways: hydroxylation and radical coupling. Toxicity assessment of these intermediates confirmed reduced environmental risks. The SSSC exhibited long-term stability and effective performance in real water matrices, demonstrating its practical applicability.

研究领域: 环境科学 · 电化学 · 水处理 · 高级氧化技术 · 材料科学
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JOURNAL OF HAZARDOUS MATERIALS · 2019 · IF 7.65

The stabilizing mechanism of cadmium in contaminated soil using green synthesized iron oxide nanoparticles under long-term incubation

Jiajiang Lin,Fengxin He,Binglin Su,Mengqiang Sun,Gary Owens,Zuliang Chen

Despite numerous studies having been conducted on the stabilization of heavy metal contaminated soil, our understanding of the mechanisms involved remains limited. Here green synthesized iron oxide nanoparticles (GION) were applied to stabilize cadmium (Cd) in a contaminated soil. GION not only stabilized soil Cd, but also improved soil properties within one year of incubation. After GION application both the exchangeable and carbonate bound Cd fractions decreased by 14.2–83.5% and 18.3–85.8% respectively, and most of the Cd was translocated to the residual Cd fraction. The application of GION also strongly altered soil bacterial communities. In GION treatments, the abundance of Gemmatimonadetes, Proteobacteria, and Saccharibacteria increased which led to a shift in the dominant bacterial genera from Bacillus to Candidatus koribacter . The variation in bacteria confirmed the restoration of the contaminated soil. The most abundant bacterial genus and species found in GION treatments were related to (i) plant derived biomass decomposition; (ii) ammoxidation and denitrification; and (iii) Fe oxidation. GION application may enhance the formation of larger soil aggregates with anaerobic centers and coprecipitation coupled Fe (II) oxidization, ammoxidation and nitrite reduction followed by Fe mineral ripening may be involved in Cd stabilization. The predominant stabilization mechanism was thus coprecipitation-ripening-stabilization.

研究领域: 环境科学 · 土壤学 · 纳米技术 · 微生物学
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