MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Qiuyu Wang,Maoyuan Hu,Wanke Zhou,Junchun Guo,Sheng Li,Xiaoli Xiong,Jinglin Li
ZIF-derived N,P,S-HCNFs provide a porous electroactive interface for TBHQ sensing. • Single- and dual-doped controls with DFT support cooperative heteroatom regulation. • Two linear ranges of 0.9–12 and 12–127 μM were achieved with a 0.075 μM LOD. • Reliable TBHQ quantification was demonstrated in spiked edible-oil samples. • Extra Trees enables validated auxiliary calibration in complex oil matrices. Tert-butylhydroquinone (TBHQ) is a widely used synthetic phenolic antioxidant, and its excessive use in edible oils raises food-safety concerns. Herein, N, P, and S tri-doped hollow carbon nanofibers (N,P,S-HCNF) with interconnected porous channels were fabricated via an electrospinning–pyrolysis strategy. The hollow architecture and heteroatom-induced defects provide abundant electroactive sites and facilitate electron/mass transfer, enabling sensitive electrochemical oxidation of TBHQ. The N,P,S-HCNF/CP sensor exhibited two linear response ranges of 0.9–12 μM and 12–127 μM, with a detection limit of 0.075 μM. Acceptable selectivity, reproducibility, and storage stability were obtained. Single- and dual-doped controls combined with DFT calculations provided mechanistic insight into the enhanced TBHQ adsorption and interfacial electron transfer of N,P,S-HCNF, including preferential interactions involving the phenolic hydroxyl groups. An externally validated Extra Trees calibration model was further employed as an auxiliary strategy to reduce matrix-related prediction bias, integrating hollow carbon nanofiber engineering, multielement heteroatom regulation, mechanistic analysis, and data-driven quantification for TBHQ electrochemical determination in edible oils. A defect-rich N,P,S-doped hollow carbon nanofiber interface enabled sensitive electrochemical oxidation of TBHQ, while DFT supported favorable adsorption and interfacial charge redistribution and machine learning provided auxiliary calibration for improved quantification in edible-oil matrices. Download: Download high-res image (128KB) Download: Download full-size image
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Dan Wang,Le Zhang,Jing Zeng,Shenling Wang,Wangwang Li,Yuanlong Sun,Wenqin Wu,Zhi-Quan Tian,Zhaowei Zhang
Tert-butylhydroquinone (TBHQ) is easily overused or illegally added to edible oil and attracts a growing concern because of its cytotoxic, liver-damaging, and carcinogenic effects. Thus, a sensitive and intelligent point-of-care testing (iPOCT) method is developed to fulfill the on-site monitoring. This iPOCT method depended on a fluorescent immunochromatographic assay within 15 min. Under optimization, the limit of quantification (LOQ) was calculated as 0.03 μg mL-1. The iPOCT method provided a low limit of detection (LOD) of 0.02 μg mL −1 , a wide linear range of 0.03–100 μg mL −1 , and great selectivity. Recoveries by the spiking experiments ranged from 97.4% to 103.5% with relative standard deviations (RSDs) of 2.4%–4.9% in soybean, peanut, rapeseed, and corn oil samples. The results showed that the iPOCT method is highly consistent with the high-performance liquid chromatography (HPLC) method.
研究领域:
分析化学
·
食品科学
·
生物技术
·
环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Agricultural Science & Technology
·
2025
·
IF 2.9
Huiqian Wang,Dongru Wang,Qiuping Zheng,Yuan He,Qian Yang,Jiani Du,Jiawei Wang,Xinhua Zhan
Polyvinyl chloride microplastics (PVC-MPs) pollution is drawing increasing attention, especially due to concerns about the environmental safety of the diverse additives that they contain. To date, few ecotoxicity data are available for PVC MP-derived chemicals. Here, wheat (Triticum aestivum L.) seedling roots were used to comparatively evaluate the toxicity of three commonly studied PVC MP-derived chemicals (2,4-dimethyl-6-s-hexadecylphenol─Irganox 1076 and tris (2,4-ditert-butylphenyl) phosphate─Irgafos 168-ox, and erucamide─Eru). These chemicals were evaluated individually and in combination. Exposure to these chemicals caused dose-dependent reductions in root dry weight (0.39%–19.29%) and root length (0.11%–8.15%). While Irganox 1076 and Eru had minimal impact on root activity and the antioxidant system, Irgafos 168-ox and its mixture induced significant elevations of antioxidant enzymes (SOD, CAT, and APX) activities and antioxidants (AsA and GSH) concentrations in the roots, enhancing the antioxidant level. Our findings indicate that the coexposure of PVC MP-derived chemicals exerts an additive effect on antioxidant response inhibition. Irgafos 168-ox showed stronger effects with the maximum toxic concentration of 10 mg L–1, whether alone or in additive mixtures, due to its higher potential for root accumulation and oxidative stress induction. These results highlight the need for further research into ecological risks of PVC MP-derived chemicals, particularly under combined exposure scenarios.
研究领域:
环境科学
·
植物生理学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2024
·
IF 4
Mengqi Xu,Jun Li,Yanlan Bi,Jie Song,Chenyu Fu
A GC-MS method was investigated for simultaneous determination of TBHQ and its transformation products (TBBQ, MAHQ) in fats and oils. Three substances were determined with good linearity of 0.15–100.00 μg/mL (R 2 > 0.9982); low LODs (0.05, 0.17, and 0.10 μg/mL) and the LOQs (0.15, 0.52, and 0.30 μg/mL). The recoveries of the three substances ranged from 93.28 % to 104.64 %. The method is sensitive and reproducible and meets the requirements of the methodology. The initial addition of TBHQ can be assessed with a recovery of > 90 % based on three substances, and the recovery could be closer to the initial addition of TBHQ if more transformation productions of TBHQ were identified with further in-depth study in the future. Compared to reported HPLC methods, the method realizes accurate quantitative detection of TBHQ and its transformation products, which can address the discrepancies between upstream and downstream enterprises in the food industry regarding the amount of TBHQ addition. This method allows downstream companies to precisely control the addition level in order to meet the requirements (maximum of 200 mg/kg based on oil content) regulated by National Standards as well as provide theoretical support for the scientific understanding and application of TBHQ in food industry.
研究领域:
分析化学
·
食品科学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2017
·
IF 4.529
Dezhi Yang,Xiaolan Li,Dongling Meng,Meng Wang,Yaling Yang
A magnesium–aluminum layered double hydroxides coated on magnetic nanoparticles (Fe 3 O 4 @MgAl-LDHs NPs) combined with the supramolecular solvents (SUPRASs) as the magnetic supramolecular fluids were successfully applied to the extraction and determination of four phenolic compounds (Bisphenol-A (BPA), bisphenol-AF (BPAF), tetrabromobisphenol-A (TBBPA) and 4-tert-octylphenol (4-TOP)). Magnetic supramolecular fluids (ferrofluids) composites were prepared through adding the mixture of n -octanol and tetrahydrofuran in distilled water as the supramolecular solvents into the solution containing magnetic Fe 3 O 4 @MgAl-LDHs NPs. Under the optimized conditions, the calibration curve was obtained in range of 5–1000 μg L −1 . The limits of detection (S/N = 3) for BPA, BPAF, TBBPA and 4-TOP, were obtained for 0.54, 0.48, 0.37 and 0.63 μg L −1 , respectively. The intra-day and inter-day precision (RSDs %) for bisphenols (BPs) and 4-TOP at 100 and 300 μg L −1 were in the range of 4.0–7.8. The enrichment factors were between 16 and 24.
研究领域:
分析化学
·
环境科学
·
纳米技术
·
食品科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2023
·
IF 7.7
Junyan Wei,Shengnan Zhang,Ruixue Guo,Ahmed A. Allam,Jamaan S. Ajarem,Naif G. Altoom,Afzal Ahmed Dar,Ruijuan Qu,Zongli Huo,Feng Zhu
In plastic, a 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenol (UV328) ultraviolet light absorber is a common additive. When using sodium hypochlorite (NaClO) to disinfect plastic, UV328 may react with NaClO. For this work, we investigated the transformation behavior of UV328 in polyethylene (PE) plastic by NaClO. The reaction rate increased with the initial free active chlorine (OCl − ) concentration and the decrease of the initial UV328 concentration. At room temperature (25 °C) to lower temperatures (0 °C), OCl − could transform UV328, and the reaction activation energy was fitted as 31.10 kJ/mol. Replacement of the plastic carrier (change to polypropylene) had no effect on the reaction process. A total of 12 intermediates were identified, and calculations based on density functional theory (DFT) were used to assist in rationalizing the product structure. Chlorination, hydroxylation, coupling, and bond cleavage were speculated as the main transformation pathways. Dichloroacetic acid (DCAA) and trichloroacetic acid (TCAA) were the only two measured disinfection by-products in the system, and their concentration were 18.33 and 18.19 μg/g, respectively. The toxicity prediction by Toxicity Estimation Software Tool (T.E.S.T) illustrated that the toxicity of the transformation products was higher overall than that of UV328 during the reaction. This work can help to deepen the understanding of the transformation behavior of UV328 in PE plastic in NaClO solution.
✓ 已验证
产品关联
DOI
高影响因子
Materials Today Energy
·
2023
·
IF 9.3
Taotao Hu,Hongming Hou,Jin Peng,Qiaofeng Wu,Jialong He,Hua Yu,Rui Liu,Tian Hou,Xiangqing Zhou,Meng Zhang,Xiaolong Zhang,Xinchun Yang,Yuanmiao Sun,Xuanhua Li,Yang Bai
NiO x plays a vital role in fabricating efficient and stable inverted perovskite solar cells (PSCs). However, the relatively low conductivity and inefficient hole extraction of NiO x hole transport layer (HTL) due to the low Ni 3+ /Ni 2+ ratio limit its use in high-efficiency PSCs. Here, we report a facile strategy to remarkably enhance the electrical conductivity and hole extraction capability of NiO x HTL by simply introducing the small molecule 4- tert -butylpyridine ( t BP) as additive in the NiO x precursor solution. It is revealed that the t BP efficient improves the charge selectivity of the NiO x interface, inducing the preferable p-type carrier concentration on the surface. Consequently, more oxygen is involved in the process of Ni 2+ to Ni 3+ conversion, and the resulting t BP: NiO x HTL exhibits significantly enhanced hole extraction and transport property. In addition, a thin layer of LiF is applied to passivate the surface of NiO x , which enables improved hole migration ability by the dipole effect of LiF and reduced trap state density of the surface. The inverted PSCs (0.16 cm 2 ) fabricated with t BP: NiO x HTL delivers an enhanced efficiency of 20.2% relative to the control devices (17.5%). t BP: NiO x devices with a large area of 1 cm 2 are also demonstrated, which achieve a decent efficiency of 16% with excellent long-term stability.
✓ 已验证
产品关联
DOI
高影响因子
FOOD CONTROL
·
2021
·
IF 5.548
Zeyi Wu,Qin Ye,Jinshuang Wang,Ningxiang Yu,Xiaohua Nie,Chaosheng Xia,Xianghe Meng
Chicken breast, a food rich in protein, was deep-fried in soybean oil (SBO) at 140, 175 and 190 °C for 20 continuous batches, and the profiles of acid value (AV), peroxide value (PV), 2-tert-Butyl-1,4-dihydrobenzoquinone (TBHQ), and 2-tert-Butyl-1,4-benzoquinone (TBBQ) in SBO and fried chicken breast were determined. The results suggested that frying at 140 °C produced increased conversion of TBHQ to TBBQ and oxidation of the frying oil than at 175 °C, which was close to that found at 190 °C. The highest TBBQ peak concentration of 2.89 ± 0.12 and 13.88 ± 0.27 mg/kg for fried chicken breast and frying oil corresponded to the 7th and 6th frying batch at 140 °C, respectively. The experimental results on determination of the AV, PV, moisture and the content of oxygen in frying oil suggested that more moisture and oxygen were retained in oil when frying at 140 °C than that at 175 °C, which may explain the over-conversion of TBHQ to TBBQ when frying at low temperature. The results on aeration frying and water injection frying experiments indicated that moisture and oxygen had a great impact on the oxidation of TBHQ in frying oil.
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2018
·
IF 2.631
Qingsong Li,Bing Jia,Liping Wang,Mengmeng Yan,Hai Liu,Yingmin Yu
The liquid-liquid equilibrium (LLE) data for the water + 2,2,3,3-tetrafluoro-1-propanol + isopropyl ether/tert-butyl methyl ether ternary systems were measured at 298.2 K and 308.2 K under 101.3 kPa. The distribution coefficients and separation factors were employed to assess the capacity of solvents to extract 2,2,3,3-tetrafluoro-1-propanol from aqueous solution. Meanwhile, the reliability of the experimental data was confirmed using the Bachman and Hand equations. The NRTL and UNIQUAC models were used to correlate the experimental data and relevant binary interaction parameters were regressed. The root mean square deviations (RMSD) of the NRTL and the UNIQUAC models were less than 0.5%, which indicate that the experimental LLE data can be successfully correlated by both models.
✓ 已验证
产品关联
DOI
高影响因子
Polymers
·
2026
·Vol. 18
·期 2
·165
·
IF 4.9
Tianyi Zhou,Jiawei Song,Gerald Guerin
Reversible addition-fragmentation chain transfer mediated polymerization-induced self-assembly (RAFT-PISA) offers an efficient approach for the preparation of polymeric nanomaterials, giving access not only to common structures such as spheres, worm-like micelles and vesicles, but also to much more complex meso-objects. However, when the core forming block polymer possesses a high glass transition temperature (Tg), like poly(methyl methacrylate) or polystyrene (PS), high-order morphologies are particularly difficult to achieve since the glassy core can prevent polymer chain reorganization during PISA. To overcome this issue, we chose to perform visible light-initiated RAFT-PISA of poly(tert-butyl acrylate)-block-polystyrene (PtBA-b-PS) in solvent systems with varying degrees of polarity. More specifically, we prepared different mixtures of diisopropyl ether and ethanol and chose PtBA as macro-CTA due to its broad range of solubility. By varying the ratio between ethanol and diisopropyl ether, we could observe a transition from spherical micelles to vesicles via intermediate structures (e.g., necklace-like micelles, network-like micellar aggregates and wedding rings). This result was particularly remarkable since the experiments were performed near room temperature. We believe that these multiple morphologies were induced by the interactions between the solvent and the corona and the change in swelling of the polystyrene core with styrene monomer that facilitated its rearrangement. We anticipate that this approach could be applied to other polymeric systems with high Tgs.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Applied Catalysis O: Open
·
2024
·
IF 0
Ya-Song Lin,Hui-Zi Han,Xiao-Qi He,Xian-Tai Zhou
A highly efficient and selective protocol for the oxidation of alkyl aromatics with tert -butyl hydroperoxide (TBHP) oxidant over platinum meso -tetraphenylporphyrin (Pt( II )TPP) was developed. Various alkyl aromatics were selectively converted to ketones smoothly with yields higher than 90% under the optimized conditions. Kinetic studies revealed that the oxidation was first-order with respect to the substrate, and the activation energy ( E a ) was 50.8 kJ mol −1 . Moreover, a mechanism involving high-valence platinum species and free radicals was proposed.
研究领域:
有机化学
·
催化化学
·
物理化学
✓ 已验证
DOI
ACS Omega
·
2026
·Vol. 11
·期 35
·53469-53476
·
IF 5.2
Lu Xin,Yuan Fangfang,Han Xiaojie,Qin Tingting,Wang Qianqian,Li Zengli,Ge Chuanjun,Shi Wenqing,Bai Haijiao,Wang Pei
Desmopressin, a synthetic
analog of vasopressin widely used in
the treatment of diabetes insipidus and bleeding disorders, is a representative
disulfide-containing peptide therapeutic prepared by Fmoc-based solid-phase
peptide synthesis (SPPS). Its unique sequence architecture, particularly
the spatial proximity between the N-terminal mercaptopropionic acid
residue Mpa(1) and the Tyr(2) residue, provides a distinct structural
environment for investigating sequence-dependent side reactions during
peptide manufacturing. The tert- butyl ( t- Bu) protecting group is widely employed for side-chain protection
in Fmoc-based solid-phase peptide synthesis (SPPS). However, under
certain reaction conditions, the highly reactive t- Bu + carbocation generated during acidic deprotection can
participate in nonspecific alkylation, leading to challenging process-related
impurities. In this study, we investigated a unique and highly site-selective
+56 Da impurity observed during side-chain deprotection. High-resolution
MS/MS analysis unambiguously identified this species as a site-selective
product arising from the migration of t- Bu from the
Tyr(2) side chain to the thiol group of Mpa(1). Based on the structural
features of desmopressin, in particular, the spatial proximity between
Tyr(2) and Mpa(1), we propose that the formation of this impurity
most plausibly proceeds via a vicinal-thiol-induced intramolecular
migration mechanism, which competes significantly with the conventional
diffusion-controlled carbocation intermediate intermolecular pathway.
Strengthening the scavenger conditions failed to eliminate this impurity,
further supporting the intramolecular migration mechanism induced
by vicinal thiol. This finding accounts for the observed site selectivity
that cannot be explained by the conventional carbocation intermediate
pathway alone. Guided by these mechanistic insights, we re-evaluated
the necessity of Tyr side-chain protection and proposed a “source-elimination”
strategy. Experimental validation demonstrated that the use of unprotected
Fmoc-Tyr-OH (free phenolic hydroxyl) completely suppressed the formation
of the t- Bu migration impurity and improved the crude
peptide purity to 93.5%. Overall, this study elucidates the formation
mechanism of t- Bu migration impurities and provides
a broadly applicable, mechanism-driven strategy for process optimization
in solid-phase peptide synthesis. While this study focuses on the
desmopressin system, the findings highlight a proximity-driven reactivity
pattern that may be relevant to other thiol-containing peptide sequences.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）