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H2O2
Research · 2026 · IF 12.9

PdBi aerogels with tensile strain-induced cascade orbital hybridization boost H2O2 selective activation for efficient pesticide distinction

Ruimin Li,Chengjie Chen,Lijun Hu,Dongbo Yan,Xiaotong Li,Xiangkun Jia,Yu Wu,Lei Jiao,Yanling Zhai,Chengzhou Zhu

The selective activation of H 2 O 2 into hydroxyl radicals (•OH) through the synergistic interplay between the nanozyme’s internal orbital interactions and external orbital coupling with intermediates presents an important scientific challenge. In this study, we demonstrate that PdBi aerogels with controllable tensile strain first enhance the Pd d orbital energy level through p–d orbital hybridization, and subsequently, the hybridized Pd d orbitals couple sequentially with the molecular orbitals of H 2 O 2 , forming a cascade of orbital hybridizations. High-performance liquid chromatography quantitative analysis reveals that the engineered PdBi aerogels remarkably improve •OH selectivity from 73.3% to 95.4%, importantly boosting both the activation efficiency and selectivity. Experimental studies and theoretical calculations have demonstrated that the hybridization of the d orbitals of Pd and the p orbitals of Bi in PdBi aerogels initially raises the d-band energy level of the Pd atoms. During the activation of H 2 O 2 , the high-energy 4d xz/yz and 4d z 2 orbitals of Pd further hybridize with the 2π* and 5σ orbitals of H 2 O 2 , thereby enhancing the orbital interaction with H 2 O 2 and creating optimal conditions for O–O bond cleavage and consequently enhancing the efficiency of •OH generation. Capitalizing on the differential reactivity patterns of various pesticides with PdBi aerogels, we develop a colorimetric sensor array for the discrimination and simultaneous detection of pesticide residues. Taking chlorpyrifos as an example, the detection limit is 0.23 μM, demonstrating good detection sensitivity. This work presents an orbital-level design strategy for creating highly selective nanozymes in H 2 O 2 activation systems.

✓ 已验证 DOI PubMed 高影响因子
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Biomedicines · 2026 ·Vol. 14 ·期 9 ·2015 · IF 4.5

Fibrin-Binding Peptide-Functionalized H2O2-Responsive Retinoic Acid Micelles for Attenuating Thrombosis-Associated Oxidative and Inflammatory Responses

Junkai Zhao,Mengting Xie,Jianghao Yu,Ran Yan,Yue Wang

Background/Objectives: Thrombotic cardiovascular diseases remain a major cause of morbidity and mortality worldwide. Current antithrombotic therapies are limited by insufficient thrombus targeting. This study aimed to develop a fibrin-binding peptide-functionalized, hydrogen peroxide (H2O2)-responsive polymeric micelle and to evaluate its physicochemical properties and biological effects under H2O2-induced endothelial oxidative stress and preliminary FeCl3-induced thrombosis conditions.Methods: A fibrin-binding peptide, P2 (VTFIKC), was screened using computer-aided drug design and evaluated through microscale thermophoresis and in vitro thrombus adhesion assays. An all-trans retinoic acid (atRA)-based boronate ester prodrug, BORA, was synthesized to enable H2O2-triggered degradation and drug release. BORA was co-assembled with P2-modified Mal-PEG-b-PAsp to prepare P2-Mal-PEG-b-PAsp/BORA micelles. Their physicochemical properties, H2O2responsiveness, H2O2-scavenging activity, cytocompatibility, cytoprotective effects, anti-inflammatory activity, and preliminary in vivo efficacy were evaluated.Results: The resulting micelles exhibited a suitable nanoscale size, acceptable cytocompatibility, H2O2-responsive changes in particle size distribution, and concentration-dependent H2O2-scavenging activity. In H2O2-stimulated human umbilical vein endothelial cells, micelle treatment was associated with improved cell viability, lower intracellular ROS-associated fluorescence, and reduced TNF-α and IL-1β concentrations. In a FeCl3-induced rat carotid artery thrombosis model, P2-Mal-PEG-b-PAsp/BORA micelles altered platelet- and leukocyte-related hematological indices and exhibited preferential accumulation in the thrombotic carotid artery.Conclusions: P2-Mal-PEG-b-PAsp/BORA micelles combine P2-mediated fibrin-binding potential, H2O2-responsive release behavior, and H2O2-scavenging activity. The findings provide preliminary support for further investigation of this peptide-functionalized nanoplatform.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Radical-driven cooperative photocatalytic coupling of glucose oxidation and H2O2 production using Ni-doped Bi2WO6/CN heterojunction

Yanmei Zheng,Yinghua Zhang,Ziwei Hang,Jianghong Ouyang,Qichao Chen,Xinli Guo,Zupeng Chen

Hydrogen peroxide (H 2 O 2 ) photosynthesis coupled with biomass upgrading is a promising alternative to traditional oxidative routes, yet its efficiency is fundamentally constrained by slow water oxidation kinetics and reliance on sacrificial agents. Herein, a Ni-doped Bi 2 WO 6 /graphitic carbon nitride (Ni-BWO/CN) heterojunction is developed to investigate the coupling of H 2 O 2 photosynthesis and glucose oxidation, with an H 2 O 2 production rate of 2.275 mM h − 1 (2.5 times higher than BWO), alongside a glucose conversion rate of 27 % and 82 % selectivity toward arabinose. The enhanced performance is attributed to the Ni doping in the BWO lattice, which modulates the electronic structure and suppresses charge recombination. In situ FT-IR spectra reveal a superoxide-mediated two-electron reduction pathway for H 2 O 2 synthesis as well as glucose oxidation via ·O 2 − -mediated and ·OH-driven intermediate mechanisms. This strategy advances the sustainable production of H 2 O 2 and high-value chemicals through rational photocatalyst design.

研究领域: 光催化 · 可再生能源 · 环境科学 · 材料化学 · 可持续化学
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Journal of Environmental Chemical Engineering · 2025 ·Vol. 13 ·期 6 ·120382 · IF 7.2

Co-removal of thiamethoxam and piperonyl butoxide in an Fe3S4-activated H2O2 system: Enhanced Fe3 + /Fe2+ cycle

Xiaoxue Pan,Yanan Wen,Le Tao,Jinli Qiu,Yuchen Jin,Xianqiu Zhang,Xuesheng Zhang

While the co-exposure toxicity of neonicotinoids (NENIs) and their synergists has attracted attention, it is of high demand to establish effective methods for achieving their co-removal under real environmental conditions. In this study, a magnetically recoverable Fe 3 S 4 catalyst was synthesized via a facile hydrothermal route and employed to activate H 2 O 2 for the simultaneous removal of thiamethoxam (THM) and piperonyl butoxide (PBO). The system demonstrated high co-removal efficiency of THM and PBO under optimized conditions. Although co-existence of PBO significantly suppressed THM removal in comparison to single system, complete removal of THM (in 5 h) and PBO (in 1 h) was still achieved. Notably, co-existence of humic acid and inorganic anions, and change in water matrix displayed negligible influence on the reaction process, with removal efficiencies remaining above 80 %. Mechanism investigations through quenching tests and electron paramagnetic resonance (EPR) verified that hydroxyl radicals (•OH) served as the primary reactive species, contributing almost 100 % to THM degradation. In contrast, PBO removal occurred via a dual pathway involving •OH oxidation and surface adsorption. X-ray photoelectron spectroscopy (XPS) analysis of Fe 3 S 4 before and after reaction further revealed the pivotal role of surface sulfur species in accelerating Fe 3+ /Fe 2+ cycle and facilitating sustained H 2 O 2 activation. •OH oxidized THM and PBO via four routes: denitration, cleavage C-C or C-N bond, ring opening, and hydroxylation. These findings provide remarkable insights for the remediation of water containing mixed pesticide pollutants.

CAS / MDL: 51-03-6
研究领域: 环境科学 · 水处理 · 高级氧化技术 · 污染物降解 · 催化
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Materials Today Bio · 2025 · IF 10.2

Nature's chemical computer: herbal residue-derived carbon dots build logic gates for H2O2 tracking and ecological antimicrobials

Xiangru Hou,Denggerile Ao,Lu Ga,Gang Dai,Jun Ai

In this work, we report the use of logic platforms and iron-doped carbon dots (Fe-CDs) as a promising peroxidase-like analogue for the qualitative quantification of hydrogen peroxide (H 2 O 2 ). The synthesized Fe-CDs exhibited excellent peroxidase-like (POD-like) activity compared to carbon dots (CDs), which catalyzed the formation of blue oxidation product (ox-TMB) with maximum absorption at 652 nm from the chromogenic substrate 3,3', 5,5' - tetramethylbenzidine (TMB). Steady state kinetic analysis shows that Fe-CDs have strong POD-like activity. Using the POD-like activity of Fe-CDs, H 2 O 2 can be specifically detected colorimetrically. Based on this, we constructed a logic platform for H 2 O 2 colourimetric sensing using Fe-CDs and H 2 O 2 as inputs and the colorimetric signal as output. The H 2 O 2 concentration and absorbance values showed good linearity in the range of 60-800 μM (R 2 = 0.9887) with a limit of detection (LOD) of 7.25 μM, and the current method was successfully applied to the detection in mouthwash samples and laboratory tap water with recoveries in the range of 96.39%-104.01%. Fe-CDs catalyse the production of reactive oxygen species from H 2 O 2 , which can kill both Gram-positive and Gram-negative bacteria, and Fe-CDs have a highly efficient antimicrobial effect compared to CDs. Fe-CDs can be as high as 99.89% antibacterial against E. coli and 97% against S. aureus . In conclusion, we used herbal dregs to prepare Fe-CDs antimicrobial agent, and by recycling herbal dregs, the resources were maximised, and the nanozymes can not only construct the logical platform for H 2 O 2 colorimetric sensing, but also show good application prospects in antimicrobials.

CAS / MDL: 126-96-5 7722-84-1
研究领域: 纳米技术 · 环境科学 · 分析化学 · 材料科学 · 抗菌研究
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APPLIED SURFACE SCIENCE · 2025 · IF 6.9

Linkage structure strategy of conjugated microporous polymers for the photocatalytic synthesis of H2O2 from water and air

Shuangshuang Liu,Rui Zhao,Zhen Lu,Linxi Hou

Artificial photosynthesis of hydrogen peroxide (H 2 O 2 ) via conjugated microporous polymer (CMP) as photocatalysts offers a promising path for solar-to-chemical energy conversion. However, the rapid recombination of photogenerated carriers and the sluggish reaction kinetics during CMP photocatalysis still remains a challenge. As a crucial strategy for regulating the pore microenvironments and charge-transfer pathways, the linkage chemistry of CMP provides a critical handle to address these limitations. Herein, three different linkages structure of CMPs with acylhydrazine (TFBE-TD), sp 2 -carbon (TFBE-PDAN) and imine (TFBE-PA) were designed as photocatalysts to elucidate the structures-performance relationships for H 2 O 2 production from water and air, without sacrificial agents. Compared with TFBE-PA, TFBE-TD and TFBE-PDAN exhibit 5.7 times and 4 times higher H 2 O 2 generation rates in pure water, respectively. This enhancement is due to the effective reinforcement of the photogenerated electron delocalization by the acylhydrazine and the sp 2 -carbon linkage structure, facilitating the electron transfer process. Furthermore, DFT calculations reveal that by adjusting the linkage structure of CMPs, the adsorption capacity of O 2 can be effectively enhanced and the reaction activation energy can be reduced, thereby promoting the ORR pathway for efficient photosynthetic H 2 O 2 production. This work establishes linkage chemistry as a key design principle for high-performance CMP photocatalysts.

CAS / MDL: 622-75-3
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BIOSENSORS & BIOELECTRONICS · 2025 · IF 10.5

Vesicle-confined redox mediation via biomimetic ABTS-liposomes enables stable electron relay and dual-mode H2O2 detection

Wei Yang,Ruicheng Xu,Feifei Mu,Jérome Chauvin,Serge Cosnier,Xue-Ji Zhang,Dan Shan

Uncontrolled diffusion and instability of redox mediators remain major challenges limiting the durability and fidelity of electrochemical biosensors. Here, we report a biomimetic strategy that encapsulates 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) within phospholipid vesicles to construct a vesicle-confined electron relay platform for hydrogen peroxide (H 2 O 2 ) sensing. The confined aqueous microenvironment preserves the redox activity of ABTS, prevents mediator leakage and degradation, and enables efficient electron shuttling with horseradish peroxidase (HRP). Consequently, the biosensor achieves ultrasensitive electrochemical detection (LOD: 2.53 nM), retains >70 % of its activity after 30 days at 4 °C, and endures over 500 CV cycles without signal loss. In parallel, a complementary chromogenic output provides an intuitive visual response in the micromolar range, underscoring the synergistic advantages of recyclable electrochemical relays versus one-off colorimetric products. Importantly, the platform enabled intracellular H 2 O 2 monitoring in living cells, validating its biocompatibility and robustness under biologically relevant conditions. This organelle-inspired, dual-mode sensing architecture offers a generalizable framework for stabilizing redox mediators through nanoconfinement and opens new avenues for durable, field-deployable point-of-care biosensing.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Nature Communications · 2025 ·Vol. 16 ·期 1 ·1-12 · IF 15.7

Defect-modulated oxygen adsorption and Z-scheme charge transfer for highly selective H2O2 photosynthesis in pure water

Gao Zixiang,Liu Fuyu,Chen Zongwei,Song Qiang,Cullen Patrick J.,Zhang Xiaoyu,Zuo Zhihong,Zhong Jun,Lu Xize,Hu Zhuofeng,Liu Runzeng,Zhang Qingzhe,Yin Yongguang,Cai Yong

Solar-driven H 2 O 2 production provides an eco-friendly and scalable alternative to conventional anthraquinone processes. However, its efficiency has been limited by the inefficient charge separation and poor selectivity for the two-electron oxygen reduction reaction (2e - ORR). Here we report a Z-scheme heterojunction photocatalyst constructed by in-situ growth of sulfur-deficient ZnIn 2 S 4 nanosheets onto UiO-66-NH 2 (a zirconium-based metal-organic framework). This heterojunction promotes efficient charge separation while retaining strong redox capability, and sulfur vacancies regulate O 2 adsorption into a configuration that suppresses O-O bond cleavage and favors 2e - ORR. As a result, the composite achieves a high H 2 O 2 production rate of 3200 μmol g -1 h -1 with 94.3% selectivity in pure water under ambient air and visible light. A continuous-flow prototype exhibits stable performance for over 200 h, and the generated H 2 O 2 solution enables direct bacteria disinfection. Spectroscopic and theoretical analyses reveal the critical role of sulfur vacancies in optimizing O 2 activation. Our findings highlight a synergistic strategy of tuning charge dynamics and O 2 adsorption configurations for designing next-generation systems for sustainable H 2 O 2 production and water disinfection.

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CHEMICAL ENGINEERING JOURNAL · 2020 · IF 10.652

Solving the H2O2 by-product problem using a catalase-mimicking nanozyme cascade to enhance glycolic acid oxidase

Mengzhao Jiao,Zhengjun Li,Xianglai Li,Zijie Zhang,Qipeng Yuan,Frank Vriesekoop,Hao Liang,Juewen Liu

Self-inactivation of oxidases due to by-product hydrogen peroxide (H 2 O 2 ) is a main obstacle to applying these enzymes in chemical production. Herein, we report an efficient cascade strategy of co-immobilizing a natural oxidase and catalase-mimicking coordination nanoparticles. Fe 3+ and adenosine monophosphate (AMP) formed coordination nanoparticles with comparable performance as natural catalase at ambient conditions for degrading H 2 O 2 , but the former still maintained about 90% or 75% catalytic activity after pH 2.0 or 90 °C treatment, respectively. Upon polymerization with a few acrylic monomers, glycolic acid oxidase (GyAO) was co-immobilized with Fe 3+ /AMP within a nanogel. Benefiting from the confinement and protection effect of the nanogel, the catalytic activity increased by 5-fold at pH 4, and 10-fold at 80 °C, and the catalytic activity of the nanogel still retained more than 65% after recycling 20 times. More importantly, the tolerance of the nanogel to glycolic acid enhanced 100 times compared with the free GyAO enzyme. This study has expanded the application of nanozymes to industrial catalysis, where harsh conditions are expected.

研究领域: 生物化学 · 工业酶学 · 纳米材料科学
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FUEL · 2022 · IF 8.035

Intensification of oxidative desulfurization by Zr(IV)-ionic liquid-HPW composite activating H2O2 system and mechanism insight

Zhaoyang Qi,Huaifang Li,Jie Chen,Changshen Ye,Ting Qiu

The carboxyl functionalized ionic liquid ([mim(CH 2 ) 3 COOH]Cl) was prepared as a linker to combine phosphotungstic acid (HPW) and Zr(IV) ion. The obtained [mim(CH 2 ) 3 COO] 3 PW-Zr composite acted as a heterogeneous catalyst for removing DBT from liquid fuel with H 2 O 2 as an oxidant. As a result, [mim(CH 2 ) 3 COO] 3 PW-Zr possessed high catalytic activity in extractive and catalytic oxidative desulfurization (ECODS). Moreover, the [mim(CH 2 ) 3 COO] 3 PW-Zr was further exploited to grow on the surface of PEI/silica gel. And the fabricated large-grained Zr-PWIL@PEI/silica gel was used in the continuous ECODS process, and the removal of DBT could still reach more than 95% after running continuously for 16 h. More importantly, the synergistic catalytic mechanism between HPW and Zr(IV) in the ECODS process has been investigated in detail by experiments and DFT calculations. As a result, a plausible mechanism has been proposed and verified, which contains two parts: the Lewis acidic center activating H 2 O 2 to form superoxide ion radicals ( OOH), and the OOH oxidizing HPW to peroxotungstate (W(O 2 ) n ), which has a high oxidizability and stability. Thus, the effective combination of Zr(IV) and HPW active sites is a very effective strategy to promote desulfurization efficiency and utilization efficiency of H 2 O 2 . Besides, we also found the distance between the corresponding active sites of catalysts plays an essential role in ECODS reaction as it strongly influences the synergistic effect between different active sites.

研究领域: 化学工程 · 催化科学
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CRYSTENGCOMM · 2011 ·Vol. 14 ·期 3 ·1038-1044 · IF 4.006

Sunlight-driven degradation of Rhodamine B by peanut-shaped porous BiVO4 nanostructures in the H2O2-containing system

Ming Ge,Lu Liu,Wei Chen,Zhen Zhou

With Rhodamine B as a model compound, the photocatalytic oxidation of organic contaminants in aqueous solution was investigated within a cooperating porous BiVO4/H2O2 system under simulated sunlight irradiation. Peanut-shaped porous BiVO4 was prepared through a simple template-free solvothermal method with high yield, and was used in the cooperating catalyst/H2O2 system. The possible formation mechanism of peanut-shaped BiVO4 nanostructures was investigated. In the peanut-shaped BiVO4/H2O2 system, nearly complete degradation of Rhodamine B was observed after 60 min of irradiation under sunlight irradiation. The as-obtained porous BiVO4 photocatalyst displayed higher photocatalytic activity than those of the reference product hydrothermally synthesized and the photocatalyst P25 in the same catalyst/H2O2/sunlight system. The photocatalytic processes of the BiVO4/H2O2/sunlight system may consist of both OH˙ oxidation and direct hole attack. In addition, the peanut-shaped porous BiVO4 nanostructures were stable and maintained high photocatalytic efficiency during repeated recycles in the H2O2-containing system.

CAS / MDL: 81-88-9
研究领域: 环境科学 · 材料科学
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SCIENCE OF THE TOTAL ENVIRONMENT · 2020 · IF 6.551

Enhanced decomposition of H2O2 by molybdenum disulfide in a Fenton-like process for abatement of organic micropollutants

Hongwei Luo,Ying Cheng,Yifeng Zeng,Kai Luo,Xiangliang Pan

Accelerating the rate-limiting step of Fe 3+ /Fe 2+ conversion is a major challenge for H 2 O 2 decomposition in conventional Fenton process. In this study, the catalytic mechanism of H 2 O 2 by molybdenum disulfide (MoS 2 ) nanoparticles and Fe 3+ ions was revealed and the abatement of organic micropollutants was investigated. The presence of both MoS 2 and Fe 3+ can efficiently decompose H 2 O 2 . Reaction system of H 2 O 2 /MoS 2 /Fe 3+ is found to remove most of the tested pollutants by over 80% (except 65.9% for carbamazepine) within 60 min at pH of 3.0. Effective pH range of this reaction system can be extended to pH of 5.0. Adding MoS 2 to Fe 3+ /H 2 O 2 system promotes the Fe 3+ /Fe 2+ cycle and improves the reaction rate between Fe 3+ and H 2 O 2 . The formation of Mo 6+ ions and Mo 6+ peroxo-complexes is beneficial to H 2 O 2 decomposition and pollutant degradation . Electron paramagnetic resonance (EPR) measurements and quenching experiments confirm the important role of hydroxyl radicals in H 2 O 2 /MoS 2 /Fe 3+ system. Chloride ions (Cl − ) promote degradation, while bicarbonate ions (HCO 3 − ) inhibit degradation. As H 2 O 2 concentration increases from nil to 1.0 mM, the value of total EE/O decreases from 0.083 to 0.003 kWh L −1 , and the most energy efficient condition is determined. This study provides a new pathway for efficient decomposition of H 2 O 2 by Fe 3+ ions in an extended pH range, which is considered a facile and promising strategy for wastewater treatment .

研究领域: 环境科学 · 化学工程
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