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Published Research Papers

Showing 24 of 1398 peer-reviewed translated articles (Page 35 of 59)

Research Progress on Catalyst Design and Reaction Mechanisms for Heterogeneous Oxygen Oxidation of Light HydrocarbonsGraphical AbstractVerified
Journal of Fuel Chemistry and Technology2026

Research Progress on Catalyst Design and Reaction Mechanisms for Heterogeneous Oxygen Oxidation of Light Hydrocarbons

Catalytic oxidation is a pivotal technology for the valorization of light hydrocarbons, with oxidative dehydrogenation (ODH) and epoxidation using molecular oxygen attracting significant interest due to high atom economy and environmental friendliness. This review systematically summarizes recent advances in the oxidative dehydrogenation of light alkanes (ethane, propane) and aerobic epoxidation of light olefins (ethylene, propylene). For rational catalyst design, it elaborates on performance regulation strategies for metal oxide catalysts such as MoVNbTeOx mixed oxides, NiO-based, and V-based systems, as well as carbon/boron-based non-metal catalysts in alkane ODH, and silver- and copper-based catalysts in alkene epoxidation. Strategies include regulating the oxidation state of active sites, exploiting strong metal-support interactions, engineering particle size and crystal facets, and promoter modification. At the mechanistic level, combining density functional theory calculations with in situ characterization, the review examines C–H bond activation and alkene desorption pathways in ODH, and oxygen insertion routes and competing side reactions in epoxidation. Special attention is given to the dynamic evolution of electrophilic and nucleophilic oxygen species and their decisive role in selectivity. Persistent challenges include suppressing over-oxidation and overcoming the conversion–selectivity trade-off. Future directions propose precise design of active centers, development of inherently safer processes, and in-depth analysis of complex reaction networks, supporting the green transition of the chemical industry.

Read Full Abstract10.1016/S1872-5813(26)60660-3
Accumulation and Occurrence of Microplastics in Different Feeding Species of Wild Fish in Baiyangdian LakeGraphical AbstractVerified
Environmental Chemistry2026

Accumulation and Occurrence of Microplastics in Different Feeding Species of Wild Fish in Baiyangdian Lake

Microplastic pollution in freshwater environments has escalated, leading to increased accumulation in wild fish. This study investigated the occurrence characteristics of microplastics (MPs) in the gills, gastrointestinal tract (GIT), and muscle of four wild fish species with different feeding habits from Baiyangdian Lake, China. MPs were detected in all tissues. The average abundance was highest in the GIT (11.63 ± 10.76 items/individual), followed by gills (7.44 ± 6.79 items/individual), and lowest in muscle (3.91 ± 3.16 items/individual). The majority of MPs were transparent and black fibers smaller than 0.5 mm. Polymer analysis identified polypropylene (PP) and polyethylene (PE) as dominant components. Significant differences in MP abundance were observed among species, with carnivorous and herbivorous fish (e.g., snakehead and grass carp) showing higher total MPs than omnivorous and planktivorous fish (e.g., mosquitofish and topmouth gudgeon). However, when normalized by body weight, smaller fish exhibited higher MP concentrations in the GIT, suggesting a greater risk per unit mass. This study provides baseline data on tissue-specific MP distribution in wild freshwater fish with varying feeding behaviors and habitats, highlighting the influence of trophic level and body size on MP accumulation.

Read Full Abstract10.7524/j.issn.0254-6108.2025021005
Research Progress on Bifunctional Catalysts for Hydrogenation of COx to Liquefied Petroleum GasGraphical AbstractVerified
Journal of Fuel Chemistry and Technology2026

Research Progress on Bifunctional Catalysts for Hydrogenation of COx to Liquefied Petroleum Gas

Liquefied petroleum gas (LPG) is a clean fuel and essential chemical feedstock. This review summarizes recent advances in the hydrogenation of CO and CO2 (COx) to LPG, focusing on the design and optimization of bifunctional catalysts. The adsorption and activation of COx on various metal oxide surfaces, as well as the influence of zeolite pore structure and acidity on LPG selectivity, are critically evaluated. The synergistic effects between metal oxide and zeolite components in promoting LPG production and enhancing catalyst stability are elucidated. Key catalyst systems, including GaZrOx/H-SSZ-13 and InZrOx-Beta composites, demonstrate high selectivity to propane and isobutane-enriched C4 alkanes, respectively. The review highlights the importance of balancing methanol synthesis and hydrocarbon conversion functionalities to achieve high LPG yields while suppressing undesired methane and CO formation. Challenges such as catalyst deactivation and the need for precise control of acid site density are discussed. This work provides theoretical guidance for the rational design of highly efficient catalytic systems for COx hydrogenation to LPG, contributing to carbon resource utilization and emission reduction.

Read Full Abstract10.3724/2097-213X.2025.JFCT.0036
Design Strategies and Recent Advances in Cellulase-Mimetic Solid Acid CatalystsGraphical AbstractVerified
Journal of Fuel Chemistry and Technology2026

Design Strategies and Recent Advances in Cellulase-Mimetic Solid Acid Catalysts

The dense crystalline structure and limited accessibility of cellulose severely hinder its efficient catalytic conversion. In response, biomimetic solid acid catalysts inspired by cellulase binding domains (CBDs) have emerged as a promising strategy to enhance cellulose hydrolysis by mimicking the substrate recognition and enrichment functions of natural enzymes. This review systematically summarizes recent advances in the design of CBD-mimetic solid acids based on four representative strategies: electrostatic anchoring, hydrophobic microenvironment engineering, spatial confinement, and covalent lock-and-key mechanisms. The underlying principles of these approaches, including substrate-specific recognition, local concentration enhancement, and synergistic “adsorption-catalysis” effects, are critically discussed to elucidate their contributions in improving catalytic affinity, selectivity, and durability. Despite significant progress, challenges such as mass-transfer resistance and insufficient structural robustness remain in complex biomass conversion systems. Looking forward, the integration of sub-enzymatic materials, such as carbon quantum dots (CQDs), into biomimetic catalysts offers new opportunities to achieve efficient, recyclable, and hierarchically organized catalytic systems, thereby providing a powerful route for the sustainable valorization of cellulose and other lignocellulosic resources.

Read Full Abstract10.1016/S1872-5813(25)60626-8
Construction of electron-rich active sites in the metallic active phase of iron-based hydrogenation catalysts and their regulation on HDN pathway selectivityGraphical AbstractVerified
Journal of Fuel Chemistry and Technology2026

Construction of electron-rich active sites in the metallic active phase of iron-based hydrogenation catalysts and their regulation on HDN pathway selectivity

Hydrodenitrogenation (HDN) is an effective method for removing nitrogen-containing heteroatom compounds from inferior feedstocks, with the core challenge being the development of catalysts that combine low cost and high performance. In this study, a FeZn-supported catalyst was modified by introducing six different metal promoters (La, Ti, Ce, Mn, Mg, and Cr). It was found that Cr exhibited a pronounced promotional effect on HDN performance. The promoting effect of Cr on the FeZn catalyst's activity originates from its electronic interaction with sulfided Fe species, rather than functioning as an independent active site. Specifically, Cr and Zn species act synergistically as electron donors, transferring electron density to the sulfided Fe species, thereby modulating the electronic structure of Fe to render it in an electron-rich state. This increased electronic density weakens the Fe–S bonds in the active phase, promoting their cleavage and facilitating the formation of hydrogenation active sites known as coordinated unsaturated sulfur vacancies (CUS). After introducing 3% Cr, under conditions of 340–380 °C, 4 MPa pressure, and a high weight hourly space velocity (WHSV) of 8.7 h−1, the catalyst's HDN conversion rate for the basic nitrogen compound quinoline increased by 14.5%–19.7% compared to the unmodified catalyst, reaching 81.9% at 380 °C. Furthermore, Cr introduction increased the number of medium-strength Lewis acid sites, which work synergistically with the increased CUS sites to enhance overall hydrogenation activity. Cr addition effectively governs the selectivity of the HDN pathway, with the reaction rate constant for the deep hydrogenation pathway over the FeZn3Cr@GA catalyst reaching 3.2 times that of the unmodified FeZn@GA catalyst. In summary, using Fe as the primary active metal component and regulating its electronic structure through promoters represents an effective approach for designing low-cost, high-performance HDN catalysts.

Read Full Abstract10.1016/S1872-5813(26)60701-3
Research Progress on the Impact of Organophosphate Pesticide Exposure on Pregnancy Complications and Adverse Birth OutcomesGraphical AbstractVerified
Environmental Chemistry2026

Research Progress on the Impact of Organophosphate Pesticide Exposure on Pregnancy Complications and Adverse Birth Outcomes

Organophosphate pesticides (OPs), the most extensively used insecticides globally, are ubiquitous in environmental matrices and agricultural products, leading to widespread human exposure. This systematic review evaluates the impact of OP exposure on pregnancy complications and adverse birth outcomes, synthesizing evidence from 58 epidemiological studies published between January 2001 and July 2024. Exposure assessment methods, including biomarkers such as urinary dialkyl phosphates, are critically examined. The review finds significant associations between OP exposure and increased risks of spontaneous abortion, gestational diabetes mellitus, gestational hypertension, preeclampsia, preterm birth, and adverse birth outcomes such as low birth weight and reduced head circumference. Potential mechanisms include paraoxonase 1 (PON1) genotype polymorphisms affecting detoxification capacity, oxidative stress, inflammation, metabolic disruption, and altered placental gene networks. The review highlights inconsistencies across studies due to variability in exposure assessment, timing, and population susceptibility. Future research should prioritize longitudinal designs, repeated biomarker measurements, and consideration of PON1 genetic variants to clarify causal relationships and susceptible windows. This comprehensive synthesis provides critical insights for regulatory policies and clinical interventions aimed at mitigating maternal and child health risks from OP exposure.

Read Full Abstract10.7524/j.issn.0254-6108.2025022102
Metabolomics Study of Zebrafish Embryos Exposed to PFOS and 6:2 FTSAGraphical AbstractVerified
Environmental Chemistry2026

Metabolomics Study of Zebrafish Embryos Exposed to PFOS and 6:2 FTSA

Perfluorooctane sulfonate (PFOS), a typical perfluorinated compound, has been restricted from production and use due to its adverse effects on organisms and ecosystems. It has been replaced by various emerging alternatives, including 6:2 fluorotelomer sulfonic acid (6:2 FTSA). Recently, 6:2 FTSA has been widely detected in aquatic environments; however, studies on its toxicity to aquatic organisms remain limited. To compare the toxic effects of PFOS and 6:2 FTSA on aquatic organisms, zebrafish embryos were exposed to each compound for 72 h. Toxic effects were evaluated, and alterations in endogenous metabolites and metabolic pathways in zebrafish embryos were analyzed using metabolomics. The study demonstrated that both PFOS and 6:2 FTSA induced malformations in zebrafish embryos, with 61 and 33 endogenous differential metabolites identified respectively, predominantly involving lipids and amino acid derivatives. PFOS induces immunotoxicity primarily by disrupting lipid metabolism pathways, thereby interfering with normal embryonic development. In addition, 6:2 FTSA exhibited neurotoxicity by affecting metabolic pathways such as dopaminergic synapses. This study elucidates the differential metabolic responses induced by PFOS and 6:2 FTSA in zebrafish embryos, providing a theoretical basis for assessing the health risks of PFOS alternatives.

Read Full Abstract10.7524/j.issn.0254-6108.2025022301
Catalytic Properties of Ionic Covalent Organic Frameworks (COFs) Materials in CO2 CycloadditionGraphical AbstractVerified
Environmental Chemistry2026

Catalytic Properties of Ionic Covalent Organic Frameworks (COFs) Materials in CO2 Cycloaddition

The cycloaddition of carbon dioxide (CO2) to epoxides (CCE) is a 100% atom-economical transformation yielding cyclic carbonates, which are valuable chemical products. This reaction valorizes CO2 as a carbon feedstock, mitigating the greenhouse effect and aligning with carbon neutrality goals. Conventional covalent organic framework (COF) catalysts often require co-catalysts to achieve high efficiency. To address this, we designed and prepared a series of ionic COFs, denoted EB-BT(nOH), that simultaneously incorporate acid (hydroxyl), base (nitrogen), and nucleophilic bromide (Br−) functionalities. These materials efficiently catalyze the CCE reaction without any co-catalyst. Among them, EB-BT(OH) exhibited the highest catalytic activity, achieving a 99% yield of the target product at 120 °C and 2.0 MPa CO2 pressure. By systematically varying the hydroxyl content in the COF backbone, we investigated the critical role of hydrogen bond donors (HBDs) in the CCE reaction. This work provides new design principles for COF-based catalysts for CCE, eliminating the need for co-catalysts and enhancing process sustainability.

Read Full Abstract10.7524/j.issn.0254-6108.2025112603
Determination of Trace Phthalates in Foods by C18-SiO2@C-Tip Solid-Phase Microextraction Coupled with Gas Chromatography-Mass SpectrometryGraphical AbstractVerified
Environmental Chemistry2026

Determination of Trace Phthalates in Foods by C18-SiO2@C-Tip Solid-Phase Microextraction Coupled with Gas Chromatography-Mass Spectrometry

A novel core-shell composite adsorbent, C18-SiO2@C, was synthesized for the determination of five phthalates in food samples. The adsorbent was prepared by assembling hexamethylcyclotrisiloxane (D3) into γ-cyclodextrin (γ-CD) cavities via saturated solution method, followed by hydrothermal oxidation to form SiO2@C, and subsequent C18 modification on the inner SiO2 core. The outer hydrophilic amorphous carbon shell enables effective extraction, while the inner C18 layer provides hydrophobic interactions. Using tip-based solid-phase microextraction (SPME), the adsorbent (10 mg) efficiently enriched phthalates from water, milk, and cola. Under optimized conditions (pH, eluent type/volume, sample volume, salt concentration), the method coupled with GC/MS exhibited linearity in the range of 0.5–10 ng·mL−1 (R² > 0.99), limits of detection (S/N ≥ 3) of 0.04–0.15 μg·L−1, and spiked recoveries of 74%–100% (RSD 1.32%–3.49%). For real samples, recoveries were 84.6%–102.3% for tap water, 80.7%–104.6% for cola, and 80.2%–101.4% for milk. The method offers simplicity, rapidity, low sample consumption, high enrichment efficiency, and strong matrix interference resistance, demonstrating significant potential for trace phthalate monitoring in foods.

Read Full Abstract10.7524/j.issn.0254-6108.2025030302
Heavy Metal Speciation and Ecological Risk Assessment of Biochar from Co-pyrolysis of Livestock Sludge and Calcium Carbide SlagGraphical AbstractVerified
Environmental Chemistry2026

Heavy Metal Speciation and Ecological Risk Assessment of Biochar from Co-pyrolysis of Livestock Sludge and Calcium Carbide Slag

The rapid expansion of livestock and poultry farming has intensified the challenge of managing sludge, which contains heavy metals (primarily Cu and Zn), antibiotics, and pathogens. Calcium carbide slag (CCS), an alkaline industrial waste rich in Ca(OH)2, CaCO3, and other minerals, poses environmental risks due to its high alkalinity. This study investigates the speciation transformation of heavy metals in biochar derived from co-pyrolysis of livestock sludge and CCS under varying temperatures (400–700 °C) and mixing ratios (sludge:CCS = 1:1, 2:1, 3:1, 4:1). The results demonstrate that at 600 °C and a 2:1 mixing ratio, calcium-based compounds and SiO2 in CCS effectively immobilize heavy metals through crystal solid solution and complexation, reducing their ecological risk. Sequential extraction indicated a shift from exchangeable and reducible fractions to residual fractions, with the residual fraction of Cu and Zn increasing by up to 45% and 38%, respectively, compared to sludge-only pyrolysis. The formation of apatite phosphorus (Ca5(PO4)3OH and Ca3(PO4)2) enhances the bioavailability of phosphorus in the biochar, making it a potential slow-release fertilizer. The study provides a novel strategy for the synergistic treatment of livestock sludge and CCS, offering environmental and economic benefits by producing stable, nutrient-rich biochar while mitigating heavy metal toxicity.

Read Full Abstract10.7524/j.issn.0254-6108.2025030305
Distribution Characteristics, Sources, and Risks of Organophosphate Triesters and Diesters in the Qiantang River, HangzhouGraphical AbstractVerified
Environmental Chemistry2026

Distribution Characteristics, Sources, and Risks of Organophosphate Triesters and Diesters in the Qiantang River, Hangzhou

This study investigated the occurrence, distribution, sources, and ecological risks of 19 organophosphate triesters (OPEs) and 8 diesters (di-OPEs) in surface water and sediments from the Hangzhou section of the Qiantang River. Samples were analyzed using liquid chromatography-high resolution mass spectrometry. Concentrations of ΣOPEs in water ranged from 31.5 to 98.9 ng/L, and in sediments from 10.8 to 341 ng/g dry weight (dw). Σdi-OPEs ranged from 2.19 to 104 ng/L in water and 0.437 to 106 ng/g dw in sediments, indicating moderate to low contamination. TCIPP and TCEP dominated OPEs in water, while TEHP was the predominant OPE in sediments. DBP was the major di-OPE in water, and DPHP in sediments. Source apportionment via correlation and principal component analysis identified industrial production and human activities, including household, tire, plastic manufacturing, and agricultural practices, as primary sources. Ecological risk assessment revealed negligible risks for most OPEs in water, but notable risks in sediments: TEHP and EHDPP posed risks to crustaceans, and TPHP to algae. Moreover, combined toxicity at multiple sediment sampling sites raised concern, warranting further attention.

Read Full Abstract10.7524/j.issn.0254-6108.2025021401
Toxic Effects of Benzo[a]pyrene on Pancreatic Development and Function in Offspring RatsGraphical AbstractVerified
Environmental Chemistry2026

Toxic Effects of Benzo[a]pyrene on Pancreatic Development and Function in Offspring Rats

This study investigated the toxic effects of intrauterine benzo[a]pyrene (BaP) exposure on pancreatic development and glucose metabolism in first-generation offspring rats. Pregnant Wistar rats were randomly divided into control and treatment groups receiving 200, 800, or 1600 μg·kg−1 BaP via daily oral gavage during gestation until delivery. Pancreatic histology was assessed in offspring at postnatal day 2 and week 12. Protein and mRNA expression of pancreatic duodenal homeobox-1 (PDX-1) and mitochondrial transcription factor A (TFAM) were quantified. Intraperitoneal glucose tolerance tests (IPGTT) and insulin tolerance tests (IPITT) were performed at week 12. Results showed that exposure to 800 and 1600 μg·kg−1 BaP caused dose-dependent pancreatic damage, with more severe islet morphological disruption and reduced islet area, which did not improve with age. PDX-1 and TFAM expression levels decreased in a dose-dependent manner at both time points. At week 12, the 1600 μg·kg−1 group exhibited pre-diabetic symptoms, including elevated blood glucose and insulin levels, and impaired glucose tolerance and insulin sensitivity. These findings indicate that intrauterine BaP exposure leads to persistent pancreatic developmental impairment and glucose metabolism disorders, potentially mediated by downregulation of PDX-1 and TFAM, with no recovery over time.

Read Full Abstract10.7524/j.issn.0254-6108.2025021101
Electrochemical Synthesis of Hydrogen Peroxide for Disinfection of Toilet Bowl Seal WaterGraphical AbstractVerified
Environmental Chemistry2026

Electrochemical Synthesis of Hydrogen Peroxide for Disinfection of Toilet Bowl Seal Water

Bacteria and microorganisms in toilets can enter the air via aerosol plumes generated during flushing, posing potential health risks. This study evaluates the feasibility of electrochemical synthesis of hydrogen peroxide (H2O2) for household toilet disinfection. Disinfection experiments showed that at H2O2 concentrations of 50–200 mg·L−1, bacteria in toilet bowl seal water were completely inactivated within 4–24 h without generating harmful disinfection by-products. By installing a gas diffusion electrode in the toilet tank and utilizing oxygen from air to electrochemically synthesize H2O2 in situ, the total bacterial count in the seal water was reduced by more than 90% during normal toilet use, thereby lowering the risk of disease transmission via toilet aerosols. The results suggest that electrochemical H2O2 synthesis offers a safe, healthy, and environmentally friendly disinfection method for household toilets.

Read Full Abstract10.7524/j.issn.0254-6108.2025021702
Effect of Hematite Morphology on the Photosensitive Response of Microplastic-Derived Dissolved Organic MatterGraphical AbstractVerified
Environmental Chemistry2026

Effect of Hematite Morphology on the Photosensitive Response of Microplastic-Derived Dissolved Organic Matter

The interaction between microplastic-derived dissolved organic matter (PSDOM) and iron oxides in soil environments can modulate its photosensitization effects, yet the underlying mechanisms remain elusive. This study investigated the influence of hematite with distinct morphologies—flake-shaped (HNPs) and cubic (HNCs)—on the photosensitization of polystyrene-derived dissolved organic matter (PSDOM). Under 500 W mercury lamp irradiation, both hematite morphologies promoted PSDOM degradation, with HNCs exhibiting superior performance: total organic carbon (TOC) decreased from 18.4 mg·L−1 to 12.3 mg·L−1 within 90 min, compared to 13.3 mg·L−1 for HNPs. Three-dimensional fluorescence spectroscopy indicated that hematite alters the humification process, thereby modifying photosensitization. Electron paramagnetic resonance (EPR) spectroscopy identified the generation of singlet oxygen (1O2), hydroxyl radicals (·OH), and carbon-centered radicals (CH3C(=O)OO·). HNCs significantly enhanced 1O2 production, while HNPs favored ·OH generation; both inhibited CH3C(=O)OO· formation. Quantitative analysis via high-performance liquid chromatography revealed that the steady-state concentration of 1O2 was highest with HNCs, reaching 2.80 times that of the PSDOM control, whereas ·OH concentration peaked with HNPs at 1.98 times the control. Notably, the steady-state concentration of 1O2 was approximately three orders of magnitude higher than that of ·OH. These findings elucidate the morphology-dependent role of hematite in PSDOM photosensitization, providing mechanistic insights into the environmental fate of microplastic-derived organic matter in complex soil systems.

Read Full Abstract10.7524/j.issn.0254-6108.2025120801
Photoelectrocatalytic Degradation of Sulfonamide Antibiotics Using BiVO4/TiO2 Array AnodeGraphical AbstractVerified
Environmental Chemistry2026

Photoelectrocatalytic Degradation of Sulfonamide Antibiotics Using BiVO4/TiO2 Array Anode

The photoelectrocatalytic degradation of seven sulfonamide antibiotics—sulfathiazole (STZ), sulfadiazine (SDZ), sulfisoxazole (SIA), sulfamethoxazole (SMZ), sulfapyridine (SPD), sulfadimidine (SMT), and sulfaguanidine (SG)—was investigated using a bismuth vanadate-loaded titanium dioxide array (BiVO4/TiO2) as the anode under visible light irradiation. Systematic evaluation of BiVO4 loading, solution pH, current density, electrolyte type, and electrolyte concentration revealed optimal conditions of 50 mmol·L−1 Na2SO4, a current density of 1.67 mA·cm−2, and pH 2. Under these conditions, STZ removal and total organic carbon (TOC) removal reached 95.7% and 76.7%, respectively. Removal efficiencies for SDZ, SIA, SMZ, SPD, SMT, and SG were 94.9%, 80.9%, 79.1%, 57.7%, 52.3%, and 52.0%, with TOC removal ranging from 50% to 76.7%. Quenching experiments and electron paramagnetic resonance (EPR) identified hydroxyl radicals (·OH), singlet oxygen (1O2), and sulfate radicals (SO4−·) as dominant reactive species. The BiVO4/TiO2 composite exhibited a valence band edge at EVB = 2.775 V vs. RHE, enabling oxidation of H2O, OH−, and SO4^2− to generate these radicals. The heterostructure narrowed the bandgap to 2.12 eV and enhanced visible light response, facilitating efficient charge separation and transfer. Degradation pathways involved oxidation of aniline moieties to nitro groups, followed by hydroxylation and cleavage of S–N, N–C, or S–C bonds, ultimately mineralizing to CO2, H2O, SO4^2−, and NO3−. The system demonstrated high stability and catalytic efficiency across acidic and alkaline conditions, offering a promising approach for antibiotic removal from environmental waters.

Read Full Abstract10.7524/j.issn.0254-6108.2025030404
Molecular Dynamics Simulation in the Mechanism Exploration Research of Environmental Remediation: Current Status and ChallengesGraphical AbstractVerified
Environmental Chemistry2026

Molecular Dynamics Simulation in the Mechanism Exploration Research of Environmental Remediation: Current Status and Challenges

Environmental pollution severely impacts ecosystems, human health, and socio-economic development, necessitating efficient removal and detoxification of pollutants. Traditional trial-and-error approaches are inadequate for developing high-performance environmental materials and remediation technologies. Molecular dynamics (MD) simulations have emerged as essential tools for elucidating pollutant removal and toxicity mechanisms at the atomic-molecular level. This review summarizes core computational methods of MD simulations, including force fields, ensemble settings, and enhanced sampling techniques. It then discusses applications in novel adsorbent materials, bioremediation (enzyme catalysis), membrane separation, and membrane fouling, highlighting how MD reveals microscopic interaction mechanisms. Current limitations, such as force field accuracy, timescale constraints, and system size, are critically assessed. Future integration with artificial intelligence (AI) and machine learning is explored for accelerating simulations, improving force field parameterization, and enabling high-throughput screening. The review aims to promote mechanism-based design and diversified development of environmental pollution control materials and remediation technologies.

Read Full Abstract10.7524/j.issn.0254-6108.2026010502
Degradation of Emerging Organic Pollutants in Water Matrix over Modified Graphitic Carbon Nitride Based Photocatalytic Coupling SystemsGraphical AbstractVerified
Environmental Chemistry2026

Degradation of Emerging Organic Pollutants in Water Matrix over Modified Graphitic Carbon Nitride Based Photocatalytic Coupling Systems

Emerging organic pollutants (EOPs) represent a class of toxic and hazardous chemicals characterized by ecotoxicity, environmental persistence, and bio-accumulation. Conventional water treatment processes have proven inadequate in eliminating these EOPs, leading to their accumulation in aquatic ecosystems and posing severe threats to the health and safety of aquatic organisms. Consequently, the development of efficient technologies for the complete elimination of EOPs from water matrix is of great importance. Recently, carbon nitride (CN)-based photocatalytic degradation technologies have been extensively utilized for the efficient treatment of organic pollutants in water environments due to their advantages of being green, efficient, and cost-effective. Furthermore, the catalytic activity of CN-based photocatalytic systems can be significantly improved and energy recovery can be achieved via coupling these systems with other advanced oxidation technologies. This review provides a critical review of the modification strategies for CN photocatalytic materials and their application in photocatalytic coupling systems toward EOPs elimination. Moreover, the opportunities and challenges on the photocatalytic coupling systems have been discussed.

Read Full Abstract10.7524/j.issn.0254-6108.2025030303
Electroactive Bacteria Accelerate the Degradation of Gallic Acid by Nano Iron Minerals and Its MechanismGraphical AbstractVerified
Environmental Chemistry2026

Electroactive Bacteria Accelerate the Degradation of Gallic Acid by Nano Iron Minerals and Its Mechanism

Iron-based catalysts are widely used in water pollution treatment due to their high stability and redox capabilities. However, conventional single-component iron-based catalytic systems face challenges such as slow reaction kinetics and low efficiency in generating reactive oxygen species (ROS) during organic pollutant degradation. In this study, three electroactive bacteria (Bacillus megaterium, Lactococcus lactis, and Shewanella putrefaciens) were selected to interact with nano-Fe3O4 to construct bacterial/Fe3O4 hybrid materials, accelerating the degradation of gallic acid. The results showed that bacterial interaction with Fe3O4 facilitated rapid electron transfer, enhancing gallic acid degradation. The bacterial/Fe3O4 hybrid materials exhibited significantly higher gallic acid degradation rates compared to Fe3O4 alone. This improvement was mainly attributed to the ability of electroactive bacteria to promote the formation of oxygen vacancies (OVs) on the Fe3O4 surface, accelerating electron transfer and subsequently enhancing the generation of ROS, including hydroxyl radicals, superoxide radicals, and singlet oxygen. Correlation analysis demonstrated a significant positive relationship between OVs and ROS generation, with hydroxyl radicals showing the highest correlation with the gallic acid degradation rate constant (r = 0.98), indicating its dominant role in gallic acid degradation; the hydroxyl radicals quenching experiment also verified its dominant role. Additionally, due to the temperature sensitivity of bacteria, the degradation rate of gallic acid reached its peak in the temperature range of 30–40 °C. This study reveals the mechanism by which electroactive bacteria enhance the catalytic activity of Fe3O4, providing a new strategy for its application in advanced oxidation technology for water pollution treatment.

Read Full Abstract10.7524/j.issn.0254-6108.2025021602
Adsorption Pathways and Differential Mechanisms of Typical Organic/Inorganic Pollutants on Microplastics: A Case Study of Sulfamethoxazole and Cr(VI) on Aged PolypropyleneGraphical AbstractVerified
Environmental Chemistry2026

Adsorption Pathways and Differential Mechanisms of Typical Organic/Inorganic Pollutants on Microplastics: A Case Study of Sulfamethoxazole and Cr(VI) on Aged Polypropylene

Microplastics (MPs) act as vectors for co-migrating antibiotics and heavy metals, forming complex pollution systems with potential joint toxicity. However, the differential adsorption behaviors and underlying mechanisms of MPs toward organic versus inorganic pollutants remain insufficiently understood. This study selected polypropylene (PP) microplastics, a major component of agricultural plastic films, and investigated the adsorption of sulfamethoxazole (SMX) and Cr(VI) onto aged PP under varying environmental conditions. Results demonstrated that aging increased the maximum adsorption capacity by 2–3 times for both pollutants. Notably, aged PP exhibited approximately 30 times higher adsorption capacity for SMX than for Cr(VI). Characterization revealed that aging introduced oxygen-containing functional groups (e.g., carbonyl) on the MP surface, enhancing adsorption. Mechanistic analysis indicated that hydrogen bonding and electrostatic interactions dominated SMX adsorption, while Cr(VI) adsorption was primarily governed by electrostatic interactions and pore-filling. The stronger intermolecular forces for SMX compared to reversible pore-filling for Cr(VI) explained the observed differences. Increasing pH induced electrostatic repulsion, reducing adsorption of both pollutants. High concentrations of Na+ and Mg2+ caused charge shielding, potentially enhancing Cr(VI) adsorption but inhibiting SMX adsorption due to competition for active sites. The presence of organic matter (humic acid) had negligible effects on Cr(VI) adsorption but reduced SMX adsorption, likely due to complexation. These findings elucidate distinct molecular-level pathways for organic versus inorganic pollutant adsorption on aged MPs, highlighting the roles of hydrogen bonding and pore-filling in driving differential behaviors.

Read Full Abstract10.7524/j.issn.0254-6108.2025030403
Preparation of Fe1-xS@CNT Composite Nanozyme and Its Application in Colorimetric Detection of Hg2+Graphical AbstractVerified
Environmental Chemistry2026

Preparation of Fe1-xS@CNT Composite Nanozyme and Its Application in Colorimetric Detection of Hg2+

The escalating environmental contamination by mercury ions (Hg2+) poses severe risks to ecosystems and human health, necessitating the development of rapid, sensitive, and cost-effective detection methods. In this study, Fe1-xS@CNT composite nanozymes were synthesized via a straightforward solvothermal approach. The nanozymes exhibit uniform morphology, structural stability, and significant peroxidase (POD)-like activity. The incorporation of carbon nanotubes (CNT) facilitates electron transfer, enhancing the Fenton reaction between Fe2+/Fe3+ to generate abundant reactive oxygen species (ROS), primarily hydroxyl radicals (·OH) and superoxide anions (·O2−). The synergistic action of these ROS and photogenerated holes (h+) promotes the oxidation of 3,3',5,5'-tetramethylbenzidine (TMB) to a blue-colored product (oxTMB), establishing a colorimetric system of Fe1-xS@CNT + H2O2 + TMB. The specific binding of S2− on the nanozyme surface to Hg2+ inhibits POD activity, reducing the absorbance of the system. This principle was harnessed to develop a colorimetric method for Hg2+ quantification in environmental water samples. The method demonstrates a linear range of 0.1–500 μg·L−1 and a limit of detection (LOD) of 0.04 μg·L−1. Validation in real water samples (campus and tap water) showed recoveries between 94.4% and 111.1% with relative standard deviations (RSD) below 3.0%, comparable to atomic fluorescence spectrometry. The method offers advantages of simplicity, rapid analysis, and naked-eye visibility, providing a novel approach for on-site monitoring of heavy metal pollutants.

Read Full Abstract10.7524/j.issn.0254-6108.2025022302
Preparation and Performance of Anti-fouling Polyacrylonitrile Ultrafiltration MembranesGraphical AbstractVerified
Environmental Chemistry2026

Preparation and Performance of Anti-fouling Polyacrylonitrile Ultrafiltration Membranes

Polyacrylonitrile (PAN) ultrafiltration membranes are widely used in water treatment, yet their anti-fouling performance remains a challenge. In this work, PAN was first reacted with sodium azide via click chemistry to synthesize 1,2,3,4-tetrazolium polyacrylonitrile (PAN-N). Subsequently, PAN-N was reacted with iodoacetamide (IAM), 2-iodoethanol (IH), iodoacetic acid (IA), and chlorosulfonic acid (CSA) to introduce hydrophilic groups, and anti-fouling PAN ultrafiltration membranes were fabricated via phase inversion. The membranes were characterized by Fourier transform infrared spectroscopy, 1H nuclear magnetic resonance, X-ray diffraction, scanning electron microscopy, and contact angle measurements. Results showed that the PAN-N membrane exhibited superior performance to pristine PAN, with water flux increasing from 0.9233 to 1.232 L·(m2·h·kPa)−1 and bovine serum albumin (BSA) rejection from 69.23% to 82.4%. Hydrophilic modification further enhanced performance; the PAN-N-IA membrane achieved the highest water flux of 1.7347 L·(m2·h·kPa)−1 and rejection of 93.57%. Anti-fouling tests revealed that modified membranes followed the order: PAN-N-CSA > PAN-N-IA > PAN-N-IH > PAN-N-IAM > PAN-N > PAN. PAN-N-CSA and PAN-N-IA showed comparable anti-fouling performance, with total fouling indices of 56.1% and 58.47%, reversible fouling indices of 47.17% and 46.97%, and irreversible fouling indices of 8.97% and 11.47%, respectively. This work demonstrates that PAN-N-IA membranes combine high flux, high rejection, and excellent anti-fouling properties, making them promising for water treatment applications.

Read Full Abstract10.7524/j.issn.0254-6108.2025021902
Comparison and Optimization of Pretreatment Methods for Emerging Contaminants and Application in Industrial Wastewater SamplesGraphical AbstractVerified
Environmental Chemistry2026

Comparison and Optimization of Pretreatment Methods for Emerging Contaminants and Application in Industrial Wastewater Samples

The pretreatment of trace emerging contaminants in environmental matrices is challenging due to diverse methods and uncertain applicability. This study compared solid-phase extraction (SPE) and liquid-liquid extraction (LLE) for extracting endocrine-disrupting compounds (EDCs), particularly phthalate esters (PAEs), using laboratory-spiked blank samples. LLE achieved satisfactory recoveries for PAEs at spike levels below 4 μg·L−1, enabling detection of five PAEs including diisodecyl phthalate (DIDP), with improved efficiency via repeated extraction. SPE offered lower detection and quantification limits, higher accuracy and sensitivity, and achieved high recoveries for 12 EDCs and 10 antibiotics at spike levels ≥0.2 μg·L−1, with detection limits as low as 0.1–6.4 ng·L−1. The developed SPE coupled with liquid chromatography-Orbitrap mass spectrometry (LC-Orbitrap MS) method was applied to industrial wastewater samples. Across five industrial sectors (coatings, rubber, pharmaceuticals, inks, and materials technology), five antibiotics and ten EDCs were detected, with total concentrations ranging from 0.03–0.56 μg·L−1 and 0.07–1.91 μg·L−1, respectively. Sector-specific profiles emerged: rubber industry effluent was dominated by dibutyl phthalate (DBP) at 1.07 μg·L−1, while pharmaceutical effluent featured sulfamonomethoxine (SMM) at 0.34 μg·L−1. This systematic evaluation demonstrates that SPE-LC-Orbitrap MS is robust for complex matrices, providing a technical foundation for accurate quantification of emerging contaminants in industrial wastewater.

Read Full Abstract10.7524/j.issn.0254-6108.2025022501
Molecular Regulation of Sulfur Metabolisms Induced by Low-Molecular-Weight Organic Acids on the Diffusion of Perfluoroalkyl and Polyfluoroalkyl Substances at the Water–Soil Interface in Paddy FieldsGraphical AbstractVerified
Environmental Chemistry2026

Molecular Regulation of Sulfur Metabolisms Induced by Low-Molecular-Weight Organic Acids on the Diffusion of Perfluoroalkyl and Polyfluoroalkyl Substances at the Water–Soil Interface in Paddy Fields

The migration of perfluoroalkyl and polyfluoroalkyl substances (PFASs) at the water–soil interface in paddy fields is a critical determinant of their environmental fate and crop safety. This study investigated the influence of low-molecular-weight organic acids (LMWOAs) on PFASs mobility under waterlogged conditions. Four LMWOAs—oxalic, citric, lactic, and acetic acids—were individually enriched in paddy soils, and the migration of 15 PFASs was monitored. Acetic acid enrichment most strongly suppressed PFASs release into overlying water. Mechanistic analyses using X-ray photoelectron spectroscopy, three-dimensional excitation–emission matrix spectroscopy, microbial amplicon sequencing, and metagenomics revealed that acetic acid reshaped the microbial community, enriching sulfate-reducing bacteria and upregulating sulfur reduction genes (SULT1A) and nitrogen transformation genes (nifN, nirI, nthB). This drove sulfate reduction to sulfite and sulfide. ABT modeling identified sulfur metabolism as the dominant factor controlling PFASs immobilization (26.06% contribution). Experiments under varying sulfur redox conditions confirmed that sulfite (SO3^2−) oxidation indirectly altered dissolved organic matter (DOM) composition, weakening PFASs–DOM binding and reducing PFASs in overlying water. These findings demonstrate that LMWOAs accumulation, particularly acetic acid, can effectively impede PFASs migration at the paddy water–soil interface via microbial sulfur cycling and associated DOM structural changes, offering a potential strategy for PFASs remediation in agricultural systems.

Read Full Abstract10.7524/j.issn.0254-6108.2026011902
Seasonal Variations of Dissolved Organic Matter (DOM) in Urban Riverine Outfall Water and Its Association with Water Quality: A Case Study of the Nanfei River and Banqiao River in HefeiGraphical AbstractVerified
Environmental Chemistry2026

Seasonal Variations of Dissolved Organic Matter (DOM) in Urban Riverine Outfall Water and Its Association with Water Quality: A Case Study of the Nanfei River and Banqiao River in Hefei

Urban river water quality is critically influenced by outfall discharges, yet the seasonal dynamics of dissolved organic matter (DOM) and its linkage to water quality remain poorly constrained. This study collected outfall water samples seasonally during 2023–2024 along the Nanfei River and Banqiao River in Hefei, Anhui Province. Parallel factor analysis of excitation-emission matrices identified three fluorescent components: fulvic acid-like C1, tryptophan-like (protein-like) C2, and terrestrial humic-like C3. Seasonal variations were pronounced: protein-like C2 dominated in winter and spring, whereas summer and autumn showed lower C2 proportions due to rainwater dilution and urban nonpoint source runoff inputs. Water quality indices decreased in summer and autumn, primarily attributed to dilution by rainfall runoff. Fluorescence index (FI > 1.9) and biological index (BIX > 1.0) indicated predominantly autochthonous DOM sources. During summer and autumn, humification index (HIX) and specific UV absorbance (SUVA) increased, while spectral slope ratio (SR) decreased, suggesting enhanced terrestrial and urban runoff influence. Significant positive correlations were observed between protein-like C2 and terrestrial humic-like C3 with water quality parameters, indicating their utility as precise indicators of pollution sources and seasonal water quality variations. These findings provide a scientific basis for integrated management of urban outfalls.

Read Full Abstract10.7524/j.issn.0254-6108.2025092801