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BIOMEDICAL CHROMATOGRAPHY · 2026 ·Vol. 40 ·期 7 ·e70526 · IF 1.7

Combining Online HPLC-ABTS Screening With Machine Learning to Predict the Bioactivity of Antioxidant Components in Pandani Tectorii Radix et Rhizoma

Shu-Zhen Chen,Yong-Lin Ma,Dong-Xiao Li,Lian-Lin Yang,Ji-Wen Wang,Qian-Qian Hu,Hong-Liang Ma

This study developed an online HPLC-ABTS method to screen antioxidant phenolic acids in Pandani tectorii radix et rhizoma (PT) from 20 geographical origins. Six common constituents were screened and assigned by standards: neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, isochlorogenic acid B, isochlorogenic acid A, and isochlorogenic acid C. Using these six components as variables, four regression models were constructed to predict ABTS radical scavenging rate: support vector regression (SVR), decision tree regression, K-nearest neighbors (KNN) regression, and extreme gradient boosting (XGBoost) regression. From 80 samples, 64 were used for model development, and 16 were reserved for hold-out validation. Model selection employed 5-fold, nested, and leave-one-out cross-validations, complemented by permutation tests and learning curve analysis. The SVR model performed best, with nested CV R 2 = 0.9298, RMSE = 4.1207, MAE = 2.2313, and an optimism gap of 0.0137. After final tuning (C = 100, gamma = 0.1, and epsilon = 0.5), it achieved R 2 = 0.9000, RMSE = 4.0602, and MAE = 2.2986 on the hold-out set. This efficient and accurate method enables simultaneous screening of antioxidant constituents and prediction of radical scavenging activity, providing a new technical tool and scientific basis for PT quality evaluation.

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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Enhanced diclofenac elimination in Fe(II)/peracetic acid process by promoting Fe(III)/Fe(II) cycle with ABTS as electron shuttle

Jinbin Lin,Yuye Hu,Junyang Xiao,Yixin Huang,Mengyun Wang,Haoyu Yang,Jing Zou,Baoling Yuan,Jun Ma

Fe(II)/peracetic acid (Fe(II)/PAA) process exhibits a great potential in abatement of micropollutants because of the fast reaction between Fe(II) and PAA. Similar to Fenton system, the slow reduction from Fe(III) to Fe(II) leads to the high dosage of Fe(II) in Fe(II)/PAA process. This study introduced 2,2′-azino-bis(3-ethylbenz- -othiazoline-6-sulfonate) (ABTS) as electron shuttle to improve the oxidation capacity of Fe(II)/PAA process by accelerating the redox cycle of Fe(III)/Fe(II). ABTS/Fe(II)/PAA process possessed high elimination efficiency of diclofenac in acidic conditions. Alcohols quenching experiments confirmed that ABTS •+ was the primary reactive species responsible for diclofenac elimination, although Fe IV O 2+ and carbon-centered radicals (R-O • ) also existed in ABTS/Fe(II)/PAA process. ABTS •+ was generated via various pathways, including the reactions of ABTS with Fe(III), Fe IV O 2+ and R-O • . ABTS was not an ideal electron shuttle because R-O • could decompose partial ABTS •+ to sulfoxides and sulfones. Two possible degradation pathways of diclofenac were proposed based on the detected transformation products. ABTS/Fe(II)/PAA process was highly-efficient for diclofenac elimination in underground water and reservoir water, while high concentration of humic acid had inhibition effect on diclofenac degradation. The present study provides a promising way to alleviate the intrinsic drawbacks of Fe(II)/PAA process and might advance its potential application in water treatment.

CAS / MDL: 15307-86-5 28752-68-3
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Food Analytical Methods · 2014 ·Vol. 8 ·期 6 ·1556-1564 · IF 1.802

Acetylcholinesterase-Free Colorimetric Detection of Chlorpyrifos in Fruit Juice Based on the Oxidation Reaction of H2O2 with Chlorpyrifos and ABTS2− Catalyzed by Hemin/G-Quadruplex DNAzyme

Liu Tao,Zhang Xiao,Hao Jianpeng,Zhu Wenxin,Liu Wei,Zhang Daohong,Wang Jianlong

Herein, we for the first time report an acetylcholinesterase (AChE)-free colorimetric method for the detection of chlorpyrifos (CP), which is based on the oxidation reaction of H 2 O 2 with CP and 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS 2− ) catalyzed by hemin/G-quadruplex DNAzyme. In the absence of CP, ABTS 2− is directly oxidized by H 2 O 2 with hemin/G-quadruplex DNAzyme as a biocatalyst to produce the blue-green-colored free radical anion (ABTS ·− ), accompanied with an obvious UV-visible absorbance at 418 nm. However, the amount of H 2 O 2 used in H 2 O 2 -DNAzyme-ABTS 2− system will be decreased if CP is first reacted with H 2 O 2 , leading to the decrease of the amount of ABTS ·− and a change in the UV-visible absorbance of ABTS ·− at 418 nm. Thus, an indirect dependence relation between CP concentration and the absorbance of ABTS ·− at 418 nm could be constructed and used for CP detection. Under optimal conditions, the detection range of the method is 0.04–1 μg/mL, with a detection limit of 0.01 μg/mL. Application of the method in real juice samples shows good analytical features in terms of recoveries (95–107.5 %), the relative standard deviation (RSD) (0.6–4.7 %), rendering it as an attractive candidate to current methodologies for the determination of CP.

CAS / MDL: 90-05-1 16009-13-5
研究领域: 分析化学 · 环境科学 · 食品安全
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NEW JOURNAL OF CHEMISTRY · 2022 ·Vol. 46 ·期 25 ·12372-12380 · IF 3.925

A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2

Juan Chai,Luohao Yuan,Shiwei Wang,Tong Li,Mingxue Wu,Zhiwei Huang,Hongfeng Yin

Three metal–organic frameworks {[Cu6(L1)4(DMF)(H2O)2·5H2O]}n (1), {Cu3(L1)2(phen)2(H2O)}n (2) and {[Cu8(μ3-OH)3(L2)4(NO3)(H2O)5]·3H2O}n (3) utilizing nitrogen-containing heterocyclic carboxylate bifunctional ligands (L1 = 5-(4-carboxypyridin-3-yl)isophthalic acid and L2 = 2-(5-carboxypyridin-2-yl)terephthalic acid) were self-assembled hydrothermally and characterized. MOFs 1–3 possess 3D networks which consist of three different types of Cu clusters {Cu2O2(OCO)4}, {Cu2O2N4(OCO)2} and {Cu4O10(OCO)4}, respectively. MOFs 1–3 efficiently catalyze the oxidation of cycloalkanes under mild conditions. Besides, the synthesized MOFs 1–3 exhibited high peroxidase-like activity and could be utilized to catalyze the oxidation of 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid ammonium salt) (ABTS) to produce green color in the presence of hydrogen peroxide (H2O2). The steady-state kinetics experiments of the oxidation of ABTS catalyzed by MOFs 1–3 were carried out, and the kinetic parameters were obtained. The results indicated that the affinity of MOFs 1–3 towards H2O2 and ABTS was higher than that of the natural horseradish peroxidase (HRP). The as-prepared MOF 1 can be applied for the colorimetric detection of H2O2 with a wide linear range of 0.5 to 200 μM and a limit of detection (LOD) of 0.097 μM. Therefore, the novel Cu-MOFs could be regarded as promising artificial enzyme mimics in catalysis, sensors and environment analysis.

研究领域: 材料科学 · 生物化学 · 分析化学
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2024 · IF 2.8

Rapid discovery of natural antioxidants in Hypericum japonicum: Dual roles of the liquid phase mobile phase as extraction and separation solvent

Zheng-ming Qian,Meng-qi Wu,Jing Chen,Qi Huang,Deng-yun Fan,De-qiang Li

Hypericum japonicum is a traditional folk medicine with various bioactivities such as hepatoprotective, antioxidant, and anti-tumorous. The antioxidant effect of H. japonicum is one of the most prominent effects due to its responsibility for many of its activities. To clarify active natural substance, the antioxidant properties of H. japonicum were preliminarily assessed by ferric reducing–antioxidant power (FRAP), 2,2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS) and Oxygen radical absorbance capacity (ORAC), as well as superoxide dismutase (SOD). Then, a straightforward and effective method named online liquid extraction-high performance liquid chromatography combined with ABTS antioxidant assay and mass spectrometry (OLE-HPLC-ABTS/Q-TOF-MS) was developed to swiftly and directly discover the antioxidants in H. japonicum . Using mobile phase as extraction and separation reagent, coupled with online activity analysis and compounds identification by high-resolution MS, the online system enables rapid screening of natural antioxidant bioactives from complex mixture. By using it, a total of 9 compounds including flavonoids and phenolic acids characterized by retention time, precise mass, and fragmentation ions in MS/MS spectra showed antioxidant action. Finally, the antioxidant and SOD activity of main found active compounds were validated by in vitro experiment assay and molecular docking. In summary, these results suggested that H. japonicum could be considered as a potential source of natural antioxidants, and the online integrated system might become a promising candidate for the natural antioxidants discovery in the future.

研究领域: 药用植物学 · 分析化学 · 药理学
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Journal of Food Measurement and Characterization · 2021 ·Vol. 15 ·期 5 ·3873-3883 · IF 2.431

Comparison of the chemical-antioxidant profiles of different parts of Citrus reticulata Blanco (Rutaceae) based on OLE-HPLC-DAD-MS/MS-ABTS assay

Qian Zheng-ming,Huang Qi,Feng Xiao-long,Li De-qiang

Given the safety of synthetic antioxidants, people are increasingly inclined to develop and use natural antioxidants. However, rapid screening and identification of active ingredients from the complex systems of natural products is one of the major challenges for the modernization of traditional Chinese medicine. In this study, online extraction-high performance liquid chromatography-diode array detection-quadrupole time-of-flight mass spectrometry coupled with ABTS antioxidant assay (OLE-HPLC-DAD-QTOF-MS/MS-ABTS), in which sample preparation, separation, detection and antioxidant assay were integrated in a single step, was used to rapidly identify antioxidant components from the different parts of Citrus reticulata , including its peels, leaves, vascular bundies and seeds. After method validation (system adaptability, extraction yield and repeatability), the four samples of different botanical parts were analyzed. As a result, among 49 found chromatographic peaks, 33 peaks displayed varying degrees of antioxidant activity and 39 peaks were tentatively or unambiguously identified based on their retention time, UV spectrum and mass spectrometry information and the comparison with reference substance and data in literature, including 10 phenolic acids, 9 polymethoxy flavonoids, 7 flavonoid- O -glycosides and 13 other ingredients. It is concluded that the established method is simple, fast, and reliable, which not only saves the materials and solvents as well as time, but also reduces the risk of degradation of chemical components during the extraction process, suitable for rapid screening and identification of antioxidant components of complex mixture.

CAS / MDL: 7727-21-1
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INDUSTRIAL CROPS AND PRODUCTS · 2014 · IF 3.208

Total phenolic contents of 33 fruits and their antioxidant capacities before and after in vitro digestion

Guan-Lin Chen,Song-Gen Chen,Ying-Ying Zhao,Chun-Xia Luo,Juan Li,Yong-Qing Gao

In order to provide new information on the antioxidant activities before and after in vitro digestion of selected fruits for consumers, nutritionists, and food policy makers, total phenolic contents and antioxidant capacities of 33 fruits were evaluated by Folin–Ciocalteu method, 2,2-diphenyl-1-picrylhydrazyl radical scavenging activity assay (DPPH), Ferric reducing antioxidant power assay (FRAP), and ABTS •+ radical cation scavenging activity (ABTS) assay, respectively. The correlations between DPPH, FRAP, ABTS values and total phenolic contents were also evaluated. The results showed that different fruits had diverse antioxidant capacities and the variation was very large. Before the gastric and duodenal phases of in vitro digestion, there was a high positive correlation between the DPPH, FRAP, ABTS values, and total phenolic contents. After the digestion, however, the correlations between the results and the total phenolic contents were poor. Four fruits, plum (sanhua) ( Prunus salicina Lindl), red bayberry ( Myrica rubra (Lour.)), plum (green) ( P. salicina Lindl), and mango (shuixian) ( Mangifera indica Linn) showed the strongest antioxidant activities they were before or after the digestion, which implied that these fruits were important natural sources for preventing oxidative stress diseases.

CAS / MDL: 3682-35-7 28752-68-3
研究领域: 食品科学 · 营养学 · 生物化学
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SENSORS AND ACTUATORS B-CHEMICAL · 2016 · IF 4.758

Colorimetric detection of hydrogen sulfide based on terbium-G-quadruplex-hemin DNAzyme

Gonge Tang,Cailan Zhao,Jie Gao,Hongliang Tan

It is of great importance to simply and sensitively detect hydrogen sulfide (H 2 S) because of its role in various physiological processes as well as its inherent toxicity. In this work, a colorimetric method for H 2 S detection was developed by employing terbium-G-quadruplex-hemin (Tb/G4-hemin) DNAzyme as a peroxidase mimic, which can catalyze H 2 O 2 -mediated oxidation of 2,2′-azinobis (3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) to produce radical cation (ABTS + ). Compared with the G4-hemin DNAzyme promoted by K + and Na + , Tb/G4-hemin DNAzyme exhibits a higher catalytic activity. In the presence of Ag + , the peroxidase-like activity of Tb/G4-hemin DNAzyme can be inhibited significantly owing to the disruption of G-quadruplex structure. However, the addition of H 2 S can effectively suppress such negative behavior by competitive binding with Ag + , leading to the recovery of the peroxidase-like activity of Tb/G4-hemin DNAzyme, which can be reflected by an increase in absorbance signal of ABTS + . The absorbance of ABTS + was enhanced linearly with increasing H 2 S concentration from 20   nM to 2   μM. The detection limit for H 2 S is 13   nM, which is much lower than most of previous methods. Moreover, the proposed method possesses the features of simple preparation, easy reproducibility and good biocompatibility. Given the fine performances and striking properties, we believe that the Tb/G4-hemin DNAzyme would have a great promise for analytical applications.

CAS / MDL: 70-18-8 1313-84-4
研究领域: 分析化学 · 生物化学 · 分子生物学
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Journal of Environmental Chemical Engineering · 2023 · IF 7.7

Rapid spectrophotometric determination of peroxydisulfate in water via oxidative coloration of 2,2′azino-bis(3-ethylbenzothiazoline)-6-sulfonate (ABTS) using ferrous ion as catalyst

Yixin Huang,Jing Zou,Jiawen Li,Hongfang Ma,Siying Chen,Lingying Chen,Xiaobin Liao,Jun Ma

In this study, a rapid, sensitive and reliable spectrophotometric method for peroxydisulfate (PDS) determination in water was established. The proposed spectrophotometric method was based on the oxidation of 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonate) (ABTS) to form stable and green-colored ABTS radical (ABTS • + ) by ferrous ion (Fe(II))-catalyzed PDS. The formed ABTS • + performed well linear relationship with PDS concentration (R 2 > 0.999) in the range of 0–60 μM at four wavelengths of 415, 650, 732, and 820 nm under optimized conditions. The proposed Fe(II)-ABTS spectrophotometric method was highly sensitive with the absorptivity of 3.595 × 10 4 M −1 cm −1 , 1.530 × 10 4 M −1 cm −1 , 1.945 × 10 4 M −1 cm −1 and 1.768 × 10 4 M −1 cm −1 at four detection peaks of 415, 650, 732 and 820 nm, respectively. Additionally, the proposed Fe(II)-ABTS spectrophotometric method possessed well anti-interference capacity to common natural water constituents and was reliable to determine PDS concentration in water. What’s more, the proposed Fe(II)-ABTS spectrophotometric method was successfully applied in monitoring the change of PDS concentration during the degradation of diclofenac in heat-activated PDS process. In a word, the proposed Fe(II)-ABTS spectrophotometric method could be employed as a promising approach for the rapid and accurate measurement of PDS in water, and this study provided a new perspective for the measurement of PDS by the visible spectrophotometry .

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CHEMOSPHERE · 2021 · IF 7.086

Multi-wavelength spectrophotometric determination of peracetic acid and the coexistent hydrogen peroxide via oxidative coloration of ABTS with the assistance of Fe2+ and KI

Jinbin Lin,Junyang Xiao,Hengyu Cai,Yixin Huang,Jiawen Li,Haoyu Yang,Tao Li,Jing Zou

In this study, a multi-wavelength spectrophotometric method for simultaneous determination of peracetic acid (PAA) and coexistent hydrogen peroxide (H 2 O 2 ) was presented. This method was based on the oxidation of 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) with the assistance of Fe 2+ /KI to produce a stable green radical (ABTS ●+ ), which could be determined at four characteristic peaks (i.e., 415 nm, 650 nm, 732 nm, and 820 nm). The absorbances of ABTS ●+ at four peaks were well linear (R 2  > 0.999) with concentrations of both total peroxides (PAA + H 2 O 2 ) and PAA in the range of 0–40 μM under optimized conditions. The sensitivities for determining total peroxides at 415 nm, 650 nm, 732 nm and 820 nm were determined to be 4.248 × 10 4  M −1  cm −1 , 1.682 × 10 4  M −1  cm −1 , 2.132 × 10 4  M −1  cm −1 , and 1.928 × 10 4  M −1  cm −1 , respectively. For determining PAA, the corresponding sensitivities were 4.622 × 10 4  M −1  cm −1 , 1.895 × 10 4  M −1  cm −1 , 2.394 × 10 4  M −1  cm −1 and 2.153 × 10 4  M −1  cm −1 , respectively. The concentration of coexistent H 2 O 2 was gained by deducting PAA concentration from total peroxides concentration. The ABTS method was accurate enough to determine PAA concentration in natural water samples. Moreover, the ABTS method was successfully used to determine the changes of PAA and coexistent H 2 O 2 and to distinguish their role on naproxen degradation in heat-activated PAA process. Overall, the ABTS method could be used as an alternative method for the convenient, rapid and sensitive determination of PAA and the coexistent H 2 O 2 in water samples.

CAS / MDL: 7681-11-0 28752-68-3
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FITOTERAPIA · 2024 · IF 2.5

Flavonoid glycosides from the leaves of Michelia champaca

Meihong Liu,Yongxia Jia,Haihui Xie

Michelia champaca L. (Magnoliaceae) was cultivated in large scale for flowers as cosmetic raw materials, whereas the value of its leaves remains to be discovered. Our chemical study on the leaves yielded four new flavonol diglycosides, champaflavosides A–D ( 1 – 4 ), together with twenty-three known flavonoid glycosides ( 5 – 27 ). Their structures were determined by spectroscopic and chemical methods. Compounds 5 – 21 and 23 – 27 were not previously reported from the genus Michelia , and kaempferol 3- O -rutinoside ( 22 ) was obtained from this species for the first time. All the compounds were evaluated for antioxidant activity by four in vitro assays. Compounds 3 – 12 and 20 showed more potent 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity than l -ascorbic acid ( l -AA). Compounds 2 – 23 , 25 , and 27 exhibited 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) (ABTS) radical cation scavenging activity superior to l -AA. The ferric reducing antioxidant powers (FRAP) of compounds 2 – 13 , 17 , and 19 were higher than l -AA. Further, eighteen compounds demonstrated cellular reactive oxygen species (ROS) scavenging activity, of which champaflavoside D ( 4 ), rhamnetin 3- O -neohesperidoside ( 8 ), quercetin 3- O -(6- O - E - p -coumaroyl)-neohesperidoside ( 9 ), and liquiritin ( 27 ) were more potent than curcumin. The results revealed that the renewable leaves of M. champaca are a rich source of flavonoids and antioxidants.

CAS / MDL: 921-60-8 56570-89-9
研究领域: 药用植物学 · 生物化学 · 植物化学
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JOURNAL OF AOAC INTERNATIONAL · 2025 · IF 1.7

Screening of antioxidant alkaloid components in Tinosporae Radix by response surface method, characteristic chromatogram, antioxidant analysis and molecular docking

Tang Dianchao,Jin Chen,Gan Liqin,Zhong Lanlan,Wang Zexi,Liu Qiqiong,Yang Yiling,Liu Ling,Huang Huilian

BackgroundTinosporae Radix is a valuable plant with applications in medicinal and edible fields. Alkaloids are one of the main active components of Tinosporae Radix, showing prominent antioxidant activity and great potential in healthcare fields.ObjectiveResponse surface method was applied to determine the optimal enrichment process of total alkaloids of Tinosporae Radix (TRTA). Antioxidant alkaloid components were screened by characteristic chromatogram, antioxidant analysis and molecular docking, so as to provide the basis for Tinosporae Radix to develop as a medicinal and edible homologous plant and antioxidant products.MethodsIn this study, a single-factor investigation experiment and a response surface optimization experiment were used to determine the optimal enrichment process of D101 macroporous resin. High-performance liquid chromatography (HPLC) was employed to establish the characteristic chromatogram of TRTA, after which chemometrics was applied to evaluate the data. The antioxidant activity of TRTA was assessed using DPPH and ABTS assays. Grey relational analysis was applied to explore the spectrum-effect relationship, and molecular docking techniques were combined to predict targets of antioxidant activity.ResultsThe best enrichment process of total alkaloids is presented as follows: water removal 3 BV, 10% ethanol removal 3 BV, and 30% ethanol elution 3 BV. And all four identified alkaloid components contributed to the antioxidant activity of TRTA, potentially processing binding interactions with multiple antioxidant protein targets, including TNF, NO-1 and XOD.ConclusionsAlkaloids significantly contributed to the antioxidant activity of TRTA, with columbamine and palmatine playing particularly prominent roles. And the antioxidant activity of TRTA is likely exerted through a complex multi-component, multi-target mechanism, involving the coordinated action of various alkaloid components and multiple biological targets.HighlightsThe optimized enrichment process demonstrated remarkable efficiency in concentrating total alkaloids from Tinosporae Radix. This study contributes significantly to the formulation of its quality control methods.

CAS / MDL: 7727-21-1
研究领域: 植物化学 · 分析化学 · 药理学 · 计算生物学
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