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MICROCHEMICAL JOURNAL · 2026 · IF 5.2

Enhanced selective enrichment of hydroxylated polycyclic aromatic hydrocarbons from biological samples using 4-carboxy-3-fluorophenylboronic acid-functionalized magnetic sorbents with UHPLC-MS/MS detection

Yun Wu,Shuting Yang,Yanqun Yang,Lijuan Long,Shuixin Ding,Chunyan Su,Linchun Bao,Qianchun Zhang

A novel magnetic nanocomposite (FPB@PEI@PDA@Fe 3 O 4 ) was synthesized for selective enrichment of HPAHs. • The MSPE-UHPLC-MS/MS method was developed to quantify nine trace HPAHs in urine and serum. • The Langmuir model governs adsorption, involving π–π, hydrogen bonding, electrostatic, and boronate affinity interactions. Hydroxylated polycyclic aromatic hydrocarbons (HPAHs) are bioaccumulative and environmentally persistent contaminants, recognized for their significant carcinogenic potential. However, accurate analysis remains challenging due to the inherent complexity of biological matrices (e.g., high protein content and numerous interfering compounds) and the ultra-trace concentrations (ng/L or pg/L levels) at which HPAHs typically occur. The efficient isolation of these analytes therefore requires a specially designed sorbent capable of strong interactions with HPAHs. To address this challenge, we designed and synthesized a novel magnetic adsorbent, 4-carboxy-3-fluorophenylboronic acid-functionalized polyethylenimine-coated polydopamine@Fe 3 O 4 (FPB@PEI@PDA@Fe 3 O 4 ), for use in magnetic solid-phase extraction (MSPE). Leveraging the properties of this novel material, an efficient MSPE-ultra-high pressure liquid chromatography-mass spectrometry method was developed to isolate and quantify nine HPAHs in urine and serum, with high sensitivity and selectivity, a wide linear range (0.0050–10 μg/L), and low detection limits (1.5–40 ng/L). To validate its applicability for human biomonitoring, urine and serum samples were analyzed, and four HPAHs, 1-naphthol, 9-phenanthrol, 1-phenanthrol, and 4-phenanthrol, were identified and quantified. The method exhibited satisfactory accuracy and precision, with recoveries of 80.3%–114% and relative standard deviations of 2.4%–13%. These results enable further understanding of the distribution and potential risks of HPAHs, and the method facilitates more accurate human health assessment and environmental monitoring. Download: Download high-res image (135KB) Download: Download full-size image

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MICROCHEMICAL JOURNAL · 2026 · IF 5.2

Aggregation- enhanced SERS of 3-MPA/4-MPY modified au concave Nanocubes coupled with CNN-PLS algorithm for quantitative detection of soluble Hg2+ in cinnabar

Kai Hu,Wuliji Hasi,Guoqiang Fang,Siqingaowa Han

Cinnabar, with low water solubility and poor oral absorption, poses challenges in toxicity assessment. Relying solely on total mercury leads to overestimation, making detection of soluble Hg 2+ essential. This study presents a surface-enhanced Raman scattering (SERS) strategy using Au concave nanocubes (Au CNC) modified with 3-mercaptopropionic acid (3-MPA) and 4-mercaptopyridine (4-MPY), combined with a data-augmented convolutional neural network-partial least squares regression (CNN-PLS) model, for quantifying soluble Hg 2+ in cinnabar and its preparations. 3-MPA binds Hg 2+ , inducing Au CNC aggregation and enhances the SERS signal, while 4-MPY improves sensitivity. To overcome insufficient data in practical, data augmentation was used to expand the SERS dataset, and the performance of CNN, PLS, and CNN-PLS models was compared before and after augmentation. The results indicate that the data-augmented CNN-PLS model performed best, with a coefficient of determination (R 2 ) of 0.999 in the range of 0.001–1 μg/mL and a Mean Squared Error of Prediction (MSEP) of 0.0001. This method was applied to quantify Hg 2+ leaching from cinnabar and four cinnabar-containing preparations after 12 h of immersion in artificial gastric juice. The mean Hg 2+ concentrations from three cinnabar batches were 0.691, 0.557, and 0.546 μg/mL, while for the preparations, the concentrations were 0.085, 0.047, 0.038, and 0.023 μg/mL. These results showed excellent agreement with atomic fluorescence spectrometry (AFS), confirming the method's reliability and accuracy. This simple, accurate, and safe approach offers a novel solution for mercury safety assessment in cinnabar and its preparations, with significant potential for traditional Chinese medicine safety evaluation and environmental monitoring.

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2025 · IF 5.4

Regulation mechanism of selective adsorption-hydration effects in chalcopyrite-molybdenite flotation separation using 2-iminothiazolidin-4-one (ITO) as chalcopyrite depressant: Experimental and DFT studies

Xiangwen Lv,Anruo Luo,Xiong Tong,Jianhua Chen,Sheng Jian,Hejie Ouyang

The development of environmentally benign depressants with high selectivity remains a critical challenge in sustainable copper-molybdenum flotation separation. To overcome the limitations of conventional toxic reagents (e.g., cyanides and sulfides), this study introduces 2-iminothiazolidin-4-one (ITO) as a novel chalcopyrite depressant. Through integrated experimental characterization and density functional theory (DFT) simulations, we systematically investigated ITO's selective depression mechanism. Micro-flotation experiments confirmed ITO's ability to preferentially suppress chalcopyrite while maintaining molybdenite floatability. Surface analysis via Fourier-transform infrared spectroscopy (FT-IR), time-of-flight secondary ion mass spectrometry (TOF-SIMS), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) demonstrated that the thiazolidine (-N-C S) and imino (=NH) groups coordinate with surface copper/iron (Cu/Fe) ions to form stable chelates on chalcopyrite, exhibiting stronger adsorption stability than ethyl xanthate. In contrast, only weak physical adsorption occurs on molybdenite surfaces. The carbonyl group (C O) was further found to enhance chalcopyrite hydrophilicity through hydrogen-bonding interactions with water molecules, as supported by contact angle measurements. This work establishes a molecular design strategy for green flotation reagents by leveraging functional group synergism, providing fundamental insights into mineral surface reactivity regulation for strategic metal resource recovery.

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Food Bioscience · 2025 · IF 5.9

6,7-Dimethoxy-3H-Quinazolin-4-One as a dual-function inhibitor of polyphenol oxidase and bacteria: biological evaluation, mode of action, and anti-browning studies

Xiu-Zhen Li,Jin-Rui Qiao,Yi-Rui Wu,Dong-Yan Zhou,Yu-Dan Shi,Shu-Meng Zhu,Qiu-Han Bai,Xiao-Lei Xia,Wei-Ming Chai

This research investigated the inhibitory effect and mechanism of 6,7-dimethoxy-3H-quinazolin-4-one (DMQ) on polyphenol oxidase (PPO) and bacteria ( Escherichia coli and Staphylococcus aureus ), as well as its anti-browning properties on fresh-cut apples. The findings demonstrated that DMQ potently inhibited PPO activity with an IC 50 of 98 ± 3 μmol L −1 . Subsequently, the inhibitory mechanism of DMQ against PPO was elucidated through enzyme kinetics, fluorescence analysis, as well as computer molecular simulation. The results revealed that the interaction between DMQ and PPO led to structural elongation and relaxation of the enzyme, and influenced the microenvironment of amino acid residues at the binding region. These changes modified secondary structure and molecular conformation of PPO, ultimately resulting in the reduction of catalytic activity. Antibacterial experiments demonstrated that DMQ exhibited remarkable antibacterial properties by enhancing cell membrane permeability in E . coli and S . aureus , contributing to cellular contents leakage and bacterial cell death. Furthermore, DMQ delayed the enzymatic browning of fresh-cut apples by controlling phenolic metabolism. In particular, it was confirmed by cytotoxicity and stability tests that DMQ was safe at experimental concentrations and had good thermal stability and photostability. These discoveries offered a theoretical framework for the potential application of DMQ in food preservation.

CAS / MDL: 60-00-4 90-05-1
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2022 ·Vol. 30 ·期 12 ·34636-34648 · IF 5.19

Magnetic covalent organic framework for the adsorption of silver nanoparticles and recycled as surface-enhanced Raman substrate and high-efficiency catalysts for 4-nitrophenol degradation

Zheng Zhijuan,Xu Ke,Lu Feifei,Zhong Baohua,You Lijun,Xiong Weijie,Tang Ting,Wang Shaoyun

A magnetic covalent organic framework Fe 3 O 4 @BM was prepared with melamine and 4–4′-biphenyldialdehyde as monomers and used as adsorbent for Ag NP removal. Fe 3 O 4 @BM was characterized by zeta potential analysis, transform infrared spectrometry, X-ray diffraction, thermogravimetric analysis, contact angle, and N 2 adsorption–desorption. Fe 3 O 4 @BM possessed plentiful amino groups, positive potential, and rapid separation performance, making it a promising adsorbent for silver nanoparticles. The adsorption process followed the pseudo-second-order kinetic equation and Langmuir isotherm model. The maximum adsorption capacity of Ag NPs calculated by the Langmuir isotherm model was 544.9 mg/g. The adsorption product Fe 3 O 4 @BM@Ag could be recycled and efficiently catalyze the degradation of 4-nitrophenol within 6 min. Meanwhile, the recycled Fe 3 O 4 @BM@Ag could also be used as a surface-enhanced Raman substrate for DTNB detection, and the limit of detection of DTNB reached as low as 10 –7  mol/L. This work prepared a promising adsorbent Fe 3 O 4 @BM for Ag NP adsorption and provided a sustainable approach for the recycling of the adsorption product Fe 3 O 4 @BM@Ag.

CAS / MDL: 66-98-8 69-78-3
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JOURNAL OF MEMBRANE SCIENCE · 2022 · IF 10.53

A novel poly (4-methyl-1-pentene)/polypropylene (PMP/PP) thin film composite (TFC) artificial lung membrane for enhanced gas transport and excellent hemo-compatibility

Yiwen Wang,Yang Liu,Qiu Han,Haibo Lin,Fu Liu

Extracorporeal membrane oxygenation is a technique that provides short-term supports to the heart and lungs. It removes CO 2 from the blood and provides enough oxygen, which is a huge help in the fight against COVID-19. As the key component, the artificial lung membranes have evolved in three generations including silicon, polypropylene and poly (4-methyl-1-pentene). Herein, we for the first time design and fabricate a novel poly (4-methyl-1-pentene)/polypropylene (PMP/PP) thin film composite (TFC) membrane with the anticoagulant coating composed of poly (sodium 4-styrenesulfonate) and cross-linked poly (vinyl alcohol). Poly (sodium 4-styrenesulfonate) provides sulfonic acid groups to inhibit the coagulant factors (FVIII and FXII), and cross-linked poly (vinyl alcohol) increase the stability of the anticoagulant coating and further improve the hydrophilicity via abundant hydroxyl groups to depress the protein adsorption. Long-term anticoagulant property was demonstrated by whole human blood for 28 days. Blood compatibility was evaluated by hemolysis rate, anticoagulation activity (APTT, TT and PT), complement activation, platelet activation and contact activation. Pure CO 2 , O 2 and N 2 permeation rates were determined to evaluate the mass transfer properties of PMP/PP TFC membranes. Gas permeation results revealed that gas permeation flux increased in the TFC membranes because of the decrease of crystallinity. Overall, the so prepared PMP/PP membrane shows good CO 2 /O 2 selectivity and blood compatibility as novel TFC artificial lung membrane.

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CHEMICAL ENGINEERING SCIENCE · 2022 · IF 4.889

Advantages of tandem versus simultaneous operation: The case of isomerization/hydrogenation of terpinolene epoxide to Terpinen-4-ol using a Ni/TiO2-SiO2 bifunctional catalyst

Jie Liu,Jianhao Cui,Lei Chen,Jingjing Chen,Huidong Zheng,S. Ted Oyama

The conversion of terpinolene epoxide to terpinen-4-ol is a desirable chemical transformation for the production of a valuable intermediate. This paper describes a one-pot, two-step system for the reaction that uses a bifunctional Ni/TiO 2 -SiO 2 catalyst with isomerization and hydrogenation capabilities. The TiO 2 -SiO 2 serves to isomerize the starting epoxide. The Ni component works to hydrogenate the allylic double bond. The tandem system achieves a high 64% yield of terpinen-4-ol. X-ray diffraction analysis showed that TiO 2 -SiO 2 was a mixed binary oxide, and Fourier transform infrared spectroscopy of adsorbed pyridine suggested that acid sites were mainly Lewis acid sites. Electron microscopy showed that the Ni/TiO 2 -SiO 2 catalyst consisted of spherical particles comprising a titanosilicate phase with highly dispersed zero-valent Ni or anatase on the surface. Additionally, there was strong interaction between Ni and the TiO 2 -SiO 2 mixed oxides. Control kinetic experiments demonstrated that the tandem use of the catalysts was more effective than simultaneous operation.

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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Interface charge induced self-assembled (Co(OH)2)4@La(OH)3 heterojunction derived from Co4-MOF@La(HCO2)3 to boost oxygen evolution reaction

Le Gao,Yawen Li,Guifang Li,Jiaqi Huo,Lishan Jia

Interface engineering as an effective material modification method can regulate local corresponding interfacial geometry and electronic structures, thus enabling a higher intrinsic activity for the oxygen evolution reaction (OER). Herein, we carefully designed p-p heterojunction precursor Co4-MOF@La(HCO 2 ) 3 with internal electric field through electrostatic adherence, which then in-situ transformed into p-p type heterojunction electrocatalyst (Co(OH) 2 )4@La(OH) 3 under KOH activation strategy. The one-step in-situ conversion of (Co(OH) 2 )4@La(OH) 3 generated the interface with significant difference in metal atomic radius and exhibits fascinating nanostructures, which enhances the specific surface area and increases the number of active sites compared with the parent material. Impressively, the obtained material (Co(OH) 2 )4@La(OH) 3 demonstrates satisfying electrocatalytic activity in OER with a low overpotential of only 233 mV to reach a current density of 20 mA cm −2 , and excellent stability for 50 h at 10 mA cm −2 in alkaline medium. In-situ Raman technique indicates that multivalent Co centers are the true active sites during the OER process. Based on density functional theory (DFT) calculation results, La atoms possess empty d orbitals, which are beneficial to facilitate charge transfer from Co to La at the heterojunction interface. Meanwhile, the introduction of La atoms changes the coordinated environment around the adjacent atoms at the interface, which induces the upshift of the d-band center for Co atoms and increases the binding strength of the adsorbed oxygen intermediate.

CAS / MDL: 100-21-0
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Journal of Materials Chemistry A · 2020 ·Vol. 8 ·期 42 ·22065-22074 · IF 11.301

An efficient Li+-doping strategy to optimize the band alignment of a Cu2ZnSn(S,Se)4/CdS interface by a Se&LiF co-selenization process

Hongling Guo,Gang Wang,Rutao Meng,Yali Sun,Siyu Wang,Shengli Zhang,Jianyu Wu,Li Wu,Guangxing Liang,Hui Li,Yi Zhang

A Li+-doping strategy is a promising route for achieving highly efficient Cu2ZnSn(S,Se)4 (CZTSSe) photovoltaic devices with a large grain absorber layer, high p-type carrier concentration and good band alignment at the Cu2ZnSn(S,Se)4/CdS interface. However, Li+-doped CZTSSe solar cells based on in situ and pre-deposition doping strategies reported thus far generally suffer from massive lithium losses and sodium rejection due to the soda-lime glass substrate. Therefore, simultaneously fulfilling the goals of simple and efficient Li+-doping remains a major technical challenge, which may be addressed, as we demonstrate here, with the development of a Se&LiF co-selenization process. By engineering the band alignment of the Cu2ZnSn(S,Se)4/CdS interface through the Se&LiF co-selenization process, an encouraging efficiency of 11.63% with an open-circuit voltage deficit of 0.583 V has been reached. Furthermore, the crystallinity of the absorber layer and the distribution of copper are improved, and a more copper-poor CZTSSe surface is formed. This novel Li+-doping strategy introduces a new approach towards the goal of high-performance CZTSSe solar cells compatible with a simple manufacturing process and excellent performance.

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JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY · 2020 ·Vol. 327 ·期 1 ·175-188 · IF 1.137

A novel magnetic functionalized m-carboxyphenyl azo calix[4]arene symmetric sulfide derivative: synthesis and application as a selective adsorbent for removal of U (VI)

Luo Jiaqi,Xu Yuli,Zhu Qiqi,Zhang Kang,Chen Fang,Yu Xiuwu,Huang Zhao,Xiao Fangzhu,Peng Guowen

A novel adsorbent magnetic functionalized m-carboxyphenyl azo calix[4]arene symmetrical sulfide derivative (Fe 3 O 4 /M-CCSSD) was fabricated by a series of simple reactions and characterized by FT-IR and SEM. The effects on U (VI) adsorption process were investigated at several conditions. The calculated data disclose that the adsorption process of U (VI) by Fe 3 O 4 /M-CCSSD is an endothermic spontaneous process, which well fits with the pseudo-second-order kinetic and Freundlich isotherm model. In the most favorable conditions, accounting for approximately 89% of U (VI) was removed. In addition, Fe 3 O 4 /M-CCSSD showed high selectivity for U (VI) and exceptional reusability.

CAS / MDL: 98-54-4
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FOOD CHEMISTRY · 2020 · IF 6.306

Sodium 4-styrenesulfonate functionalized nanofibers mat as 96-well plate solid–phase extraction adsorbent for quantitative determination of multiple β-agonists residues in pork samples

Jiankun Cao,Sihui Liang,Hao Zhang,Qian Xu,Wenliang Ji

In this work, sodium 4-styrenesulfonate functionalized polyacrylonitrile nanofibers mat (SS/PAN NFM) was firstly prepared and applied as 96-well plate solid–phase extraction adsorbent for quantitative determination of seven β-agonists residues in pork samples. The functional modification endowed the SS/PAN NFM with superior adsorption performance for target β-agonists. The adsorption process is spontaneous (Δ G  < 0), the initial adsorption rate can reach 6.03–9.09 mg/g/min and the maximum adsorption capacity is calculated to be 48.3 mg/g at 298 K. Moreover, SS/PAN NFM can be reused for 12 times without degradation in adsorption capability. Combined with UPLC–MS/MS, the limits of detection can reach 0.006–0.24 μg/kg, the recoveries ranged from 87.2% to 111% and the relative standard deviations of intra-day and inter-day precisions were in the scope of 1.75%–11.6% and 5.08%–13.5%, respectively. The obtained results fully demonstrated the practicability of this method in preventing the hazard of β-agonists residues.

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MICROCHEMICAL JOURNAL · 2020 · IF 3.594

Analyte-triggered autoacceleration of 4-mercaptophenylboronic acid-mediated aggregation of silver nanoparticles for facile and one-step ratiometric colorimetric method for detection of ascorbic acid

Shengnan Wei,Xuechen Wang,Bo Pang,Hang Li,Xuening Shi,Chao Zhao,Juan Li,Juan Wang

A simple, fast, one-step method is described for ratiometric colorimetric detection of ascorbic acid (AA) based on 4-mercaptophenylboronic acid (4-MPBA) and silver nanoparticles (AgNPs). In the presence of AA, the aggregation process of AgNPs can be triggered and accelerated, due to the interaction between 4-MPBA and the cis 1,2-diol moieties of AA through a reversible esterification, resulting in a distinguish color change from yellow to brownish red. The AA concentration-dependent color change can be quantified by the bare eyes or a UV–Vis spectrometer. The whole AA detection procedure was able to complete in 10 min with an excellent linear relationship (1–500 μM) and a low limit of detection (0.70 μM). The proposed approach was also used to accurately evaluate AA levels in orange juice. In our perception, this assay is rapid, sensitive, and specific, which demonstrates its potential on constructing biochemical and clinical sensors.

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