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ENVIRONMENTAL POLLUTION · 2025 · IF 7.3

Effect of coexisting Cd(Ⅱ) and As(V) on anionic PFASs sorption in soils: Models and mechanisms

Wei Zhang,Jianwei Li,Ruihua Huang,Xueqi Zhang,Yuting Wang,Dongmei Zhou,Qiming Xian

An in-depth understanding of the sorption behaviors of per- and polyfluoroalkyl substances (PFASs) in soil is essential to assess their environmental risks accurately. Due to chemical industry production and waste treatment, co-contamination soil of heavy metals (HMs)-PFASs has become a public concern worldwide. This study investigated soil sorption behaviors of PFASs including perfluorooctanoic acid (PFOA), perfluorooctanesulfonic acid (PFOS), and perfluorohexanesulfonic acid (PFHxS). A multiple linear regression (MLR) model was developed to predict the sorption of PFOS in soil. Validation results demonstrated that this model could effectively predict the distribution coefficients ( K d ) of PFOS based on soil organic carbon (OC), silt, clay, and free Fe/Al-oxide contents, exhibiting a strong predictive ability ( r 2  = 0.942, p  < 0.001). In six soils, HMs (Cd 2+ and As 5+ ) influence three anionic PFASs sorption primarily by altering the electrostatic and hydrophobic interactions between soil components and PFASs. The K d values of PFOS tend to rise with increasing Cd 2+ concentration but decline with increasing As 5+ concentration. In contrast, HMs have a relatively minor influence on the sorption of PFOA and PFHxS. Moreover, a nonlinear model was constructed for the first time to quantify the impact of HMs on PFASs sorption. The model achieves exceptional prediction accuracy when applied to both experimental data from this study and literature data. A comprehensive understanding of PFASs sorption behavior in soil under conditions of coexisting HMs is of great significance for formulating targeted degradation and mitigation strategies for co-contaminated sites.

研究领域: 环境科学 · 土壤学
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Journal of Soil Science and Plant Nutrition · 2024 · IF 3.4

Phenolic Acid Concentration and Adsorption in the Soil of Monoculture Eucalyptus and Acacia Mangium Plantations Versus Species Mixtures in Subtropical Forests

Ullah Saif,Liao Chengrui,Xu Yuanyuan,Li Wannian,Ali Izhar,Han Xiaomei,Ye Shaoming,Yang Mei

Purpose: This study explores the accumulation of phenolic acids in soil within monoculture plantations of Eucalyptus , Acacia mangium , contrasting with mixed species plantations containing both species, across various seasons. The research aims to provide insights into how different plantation types and species compositions influence the presence and levels of phenolic acids in soil. Methods: Soil phenolic acid concentrations were determined using HPLC, analyzing seven phenolic acids, including p-hydroxybenzoic, ferulic, coumaric, and benzoic acids. The kinetic adsorption experiments evaluated phenolic acid adsorption rates and quantities across various soil types. An adsorption kinetic model compared these concentrations between monoculture and mixed forest soils. Results: Our findings showed that plantation types, soil positions and seasons significantly impact phenolic acid accumulation. Non-rhizosphere soil in monoculture Eucalyptus plantations exhibited the highest phenolic acid concentration an average (32 µg g -1 ) across all seasons compared to mixed species plantations. Conversely, the rhizosphere soil of monoculture Acacia mangium displayed the highest content, reaching 71 µg g -1 in March. Notably, four phenolic acids (p-hydroxybenzoic, ferulic, coumaric, and benzoic acids) varied significantly between monoculture and mixed forests. Additionally, adsorption kinetic studies revealed that monoculture Eucalyptus and Acacia mangium soils had higher adsorption capacity compared to mixed species soils. The application of Elovich model yielded the best fit for ferulic and coumaric acids (R 2  > 0.45). Conclusion: Mixed species plantations of Eucalyptus and Acacia mangium significantly influence soil phenolic acid levels compared to monoculture forests and induce alterations in soil adsorption characteristics for phenolic acids, potentially impacting soil fertility and productivity.

研究领域: 生态学 · 土壤学
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ACS Sustainable Chemistry & Engineering · 2019 · IF 6.97

Ionic Liquid Forms of Mesotrione with Enhanced Stability and Reduced Leaching Risk

Weichen Wang,You Liang,Jiale Yang,Gang Tang,Zhiyuan Zhou,Rong Tang,Hongqiang Dong,Jianqiang Li,Yongsong Cao

Mesotrione is one of the triketone herbicides that are widely used in corn fields to control broadleaf and some grass weeds because of its high herbicidal activity and crop safety. However, mesotrione is unstable during the progress of storage and application and can easily enter the groundwater to cause environmental pollution due to its high leakage in soil. In this study, 22 new salts based on mesotrione, most of which were defined as herbicidal ionic liquids (HILs), were synthesized by pairing with different structural cations to optimize the physicochemical properties for solving these problems of mesotrione. The results showed that the water solubilities of HILs were no longer limited by pH and could be decreased by selecting suitable paired cations. Also, HILs exhibited a higher thermal stability, lower surface tension, higher octanol–water partition coefficient, and better soil adsorption capacity and herbicidal activity than mesotrione. HIL-22 paired with cetylpyridinium could meet the requirements such as efficacy control, thermal stability, and reduction of environmental risk based on the physicochemical properties and biological activities. This study showed the novel HILs could make contributions to solve the problems existing in the practical applications and reduce the negative impact of herbicides on the environment.

研究领域: 农业科学 · 环境科学 · 化学
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TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY · 2017 · IF 0.795

The environmental fate of thymol, a novel botanical pesticide, in tropical agricultural soil and water

Beibei Liu,Bing Chen,Jing Zhang,Ping Wang,Gang Feng

In this study, the environmental fate of thymol, including hydrolysis, aqueous photolysis, soil sorption and soil degradation, was studied under conditions that simulated the tropical agricultural environment. This study was undertaken to supply basic information for evaluating the environmental risks of applying this new botanical pesticide to tropical crop production. The results showed that the hydrolysis of thymol was pH-dependent and accelerated by acidic conditions and high temperatures. However, the hydrolysis rate was far lower than the aqueous photolysis rate, indicating that direct photolysis is an important dissipation pathway for thymol in water. The sorption of thymol by three tropical soils was consistently well described by the Freundlich model, and the sorption coefficients increased in the order sandy soil < loamy soil < clay soil, a characterization that depended on the organic carbon contents of the soil. The soil degradation rate of thymol decreased in the order sandy soil > loamy soil > clay soil, which has a negative correlation with the sorption of thymol in soils. We concluded that the degradation rates of thymol in tropical soil and water are fast: thymol in water is photodegraded (50%) by sunlight within 28 h, and the thymol in soils is degraded (50%) within 8.4 d. Therefore, the environmental risk to the surrounding soils and water of thymol application for tropical crop production is low.

研究领域: 环境科学 · 农药学
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Journal of Environmental Sciences · 2014 · IF 1.922

Effects of bile salts and divalent cations on the adsorption of norfloxacin by agricultural soils

Xuesong Kong,Shixiang Feng,Xu Zhang,Yan Li

The effects of bile salts (sodium cholate and sodium deoxycholate, 0–20 mmol/L), divalent cations (Ca 2+ , Mg 2+ , Cu 2+ and Zn 2+ , 0–20 mmol/L) or pH (3.0–10.0) on the adsorption of norfloxacin by three selected soils (Paddy_H, Paddy_G and Red_J) were systematically studied. Soil adsorption of norfloxacin follows a pseudo second-order kinetics model, and the maximum adsorption capacity has been determined from the nonlinear fit of the Langmuir isotherm model to be 88.8, 88.1 and 63.0 μmol/g for the adsorption onto Paddy_H, Paddy_G and Red_J, respectively. The results indicate that norfloxacin has a high adsorption affinity for the agricultural soils tested and that the organic content of these soils have at least a slight influence on this adsorption. The adsorption of norfloxacin to soils was strongly dependent on pH and exhibited a maximum at approximately pH 6. The presence of divalent cations prominently suppressed the adsorption of norfloxacin by paddy soils, which followed an order of Cu 2+ > Mg 2+ > Ca 2+ > Zn 2+ , and by red soil, which followed an order of Cu 2+ > Zn 2+ > Ca 2+ > Mg 2+ . The adsorption of norfloxacin (by the soils studied) sharply decreased as the amount of bile salts was increased. For uncharged norfloxacin at environmentally relevant pH values, such factors as soil type, exogenous divalent cations and macromolecules significantly altered the environmental fate and transport of norfloxacin between aquatic and soil interfaces.

CAS / MDL: 302-95-4
研究领域: 环境科学 · 土壤学
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SCIENCE OF THE TOTAL ENVIRONMENT · 2024 · IF 8.2

Environmental safety assessment of cumic acid: A comprehensive study on environmental behaviours and toxicological effects on non-target organisms

Mingxing Yue,Ting Li,Yuan Huang,Bin Zhang,Zhiqing Ma

Environmental safety assessments are crucial in the research and application of new pesticides. Cuminum cyminum is a widely cultivated crop rich in the antifungal compound cumic acid, which potential can be developed into a new type of botanical fungicide. This study presents an environmental safety assessment of Cuminum cyminum extract and its bioactive component, cumic acid, as prospective agents for botanical fungicides. Evaluation of their toxicity to non-target organisms showed a low impact on silkworms, fish, earthworms, tadpoles, and crops, but moderate toxicity to quails and bees. In addition, adsorption and leaching analyses showed that cumic acid has a strong affinity for soil, resulting in high pesticide concentrations in the topsoil layers and a low leaching tendency. The degradation rate of cumic acid in diverse agricultural soils was rapid, with half-lives ranging from 4.05 to 5.09 days, indicating a low potential for environmental accumulation. Degradation and photolysis studies also showed that cumaric acid did not accumulate readily in the environment. These comprehensive findings highlight the safety and agricultural potential of cumic acid-based products, with implications for the advancement of eco-friendly botanical fungicides derived from cumin extracts.

CAS / MDL: 536-66-3
研究领域: 环境科学 · 植物保护 · 毒理学
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2019 · IF 4.527

Major factors dominating the fate of dibutyl phthalate in agricultural soils

Jinjin Cheng,Qun Wan,Jing Ge,Fayun Feng,Xiangyang Yu

Dibutyl phthalate (DBP) is a ubiquitous soil contaminant. We have investigated the sorption , degradation and residue of DBP in 20 types of agricultural soils and aimed to identify the major soil properties that dominate the fate of DBP. Sorption isotherms of DBP in all soils were fitted well with the Freundlich model. The sorption coefficient ( K f ) varied between 3.99 and 36.1 mg 1−1/n L 1/n /kg. Path analysis indicated that 59.9% of variation in K f could be explained by the combination of pH, organic carbon (OC) and clay content. Degradation of DBP in the 20 soils was well described by the first-order kinetic model, with half-lives ( t 1/2 ) ranging from 0.430 to 4.99 d. The residual DBP concentration after 60 d of incubation (R 60 ) ranged from 0.756 to 2.15 mg/kg and the residual rates ranged from 3.97% to 9.63%. The K f value was significantly positively correlated with t 1/2 and R 60 . Moreover, soil pH, microbial biomass carbon (C mic ) and OC were identified as dominating factors that explained 84.4% of variation in t 1/2 . The R 60 data indicated 72.2% of its variability attributable to the combination of OC and C mic . The orders of the relative importance of dominating factors on the K f , t 1/2 and R 60 were OC > pH > clay, C mic  > pH > OC and OC > C mic , respectively. This work contributes to better understand the fate of DBP in soils and make scientific decisions about accelerating its dissipation in different soils.

研究领域: 环境科学 · 土壤学
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EUROPEAN JOURNAL OF SOIL SCIENCE · 2024 ·Vol. 75 ·期 2 ·e13464 · IF 4

Effect of severe wildfire on soil phosphorus fractions and adsorption in a cold temperate coniferous forest after 5 years

Yating Deng,Yun Zhang,Xinxin Zheng,Xiaoyang Cui

Forest fires are a primary driver of biogeochemical processes in ecosystems and affect the soil nutrient balance by altering the distribution of organic matter and associated nutrients as well as the composition and availability of elemental nutrients. We investigated the changes in soils’ phosphorus (P) fractions and the adsorption characteristics of potassium dihydrogen orthophosphate (orthoP) and myo -inositol hexakisphosphate (IHP) at two depths (0–5 and 5–10 cm) in soils from two sites differing in fire severity: long-unburned and heavily burned. Five years after the fire, there were increases in the total P and extractable inorganic P (H 2 O-P, NaHCO 3 -Pi, NaOH-Pi, D.HCl-Pi and C.HCl-Pi) contents. Conversely, there was a decrease in organic P (NaHCO 3 -Po, NaOH-Po and C.HCl-Po). The adsorption of soil for orthoP at a depth of 0–5 cm was dependent on the amount of P supplied by the soil; at low concentrations, heavily burned soil showed a lower adsorption than long-unburned soil. However, at high concentrations, the adsorption of heavily burned soil was significantly larger than that of long-unburned soil. With respect to IHP, the adsorption of long-unburned soil was also more significant at depths of 0–5 cm. The adsorption of both orthoP and IHP of heavily burned soil was significantly higher than that of long-unburned soil at a depth of 5–10 cm. Fire also decreased the binding degree (k 1 ) of soil-P and the solid phase at depths of 0–5 and 5–10 cm. The increase in P adsorption capacity outweighed the addition of P from ash, resulting in less leaching in heavily burned areas and minimizing P loss. Overall, forest fires significantly affect the adsorption characteristics and P fractions of soil, specifically orthoP and IHP, during the initial stage of postfire recovery. These effects are closely related to the direct influences of iron oxide, soil organic matter and aluminium oxide in the soil and may even produce relatively long-term effects on the P recycling process of the entire ecosystem.

CAS / MDL: 7778-77-0
研究领域: 生态学 · 土壤学
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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Humic acid nature and compound structure together determine the capacity of soil to sorb Avermectin B1a and its derivatives

Tong-fang Jing,Da-xia Zhang,Yan Jin,Guo-dong Si,Bei-xing Li,Wei Mu,Feng Liu

Sorption is the key process that regulates the dispersion of pesticides in the environment once they are introduced into the soil. However, the relationship between the molecular structures of these compounds and the sorption mechanism needs to be further clarified. Our objectives were to uncover sorption drivers in distinct soil samples for the parent avermectin B1a (–OH:3) and pharmacophore-altered derivatives [derivative-1 (–OH:2) and derivative-2 (–OH:1) series]. Avermectin B1a sorption to soil was extensive and essentially irreversible, with avermectin B1a exhibiting significantly greater sorption than the derivatives. The sorption difference between avermectin B1a and derivatives in soil suggested that –OH pharmacophore was the main sorption site for avermectin B1a in soil. Further sorption tests on avermectin B1a and derivatives were carried out on humic acid fractions (HA1 and HA2) that we extracted from the soil. Avermectin B1a sorbed most extensively to humic acid fractions, followed by derivative-1 and derivative-2, thereby indicating the –OH pharmacophore remains the main site for the sorption of avermectin B1a and derivatives by the humic acid fractions. The HA1 fraction showed significantly greater sorption of the compound than the HA2 fraction. Elemental analysis and 13 C NMR analysis demonstrated that the HA1 fraction contains more polar functional groups than the HA2 fraction. This suggests that the sorption of avermectin B1a and derivatives by the soil is due to the interaction between the –OH pharmacophore and the polar functional groups in the humic acid, implying that hydrogen bonding may be the main sorption mechanism. This study highlighted the potential sorption mechanisms of pharmacophores in pesticide compounds with humic acid fractions.

研究领域: 环境科学 · 土壤学 · 农药化学
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JOURNAL OF SOILS AND SEDIMENTS · 2015 ·Vol. 16 ·期 5 ·1509-1518 · IF 2.139

Sorption of polycyclic aromatic hydrocarbons to soils enhanced by heavy metals: perspective of molecular interactions

Liang Xiao,Zhu Lizhong,Zhuang Shulin

Purpose Combined pollution by polycyclic aromatic hydrocarbons (PAHs) and heavy metals are commonly found in industrial soils. This study aims to investigate the effect of the coexistence of heavy metals on the sorption of PAHs to soils. We focused specifically on the relationship of the sorption capacity with the estimation of the binding energy between PAHs and heavy metals. Materials and methods The sorption of typical PAHs (naphthalene, phenanthrene, and pyrene) to soils coexisting with heavy metals (Cu(II), Pb(II), and Cr(III)) was characterized in batch sorption experiments. The binding energy between PAHs and heavy metals in aqueous solution was estimated by quantum mechanical (QM) method using density functional theory (DFT) at the M06-2x/def2svp level of theory. Results and discussion Sorption capacity and nonlinearity of the PAHs to the soils were enhanced by the coexisting heavy metals. The extent of increment was positively associated with the hydrophobicity of the PAHs and the electronegativity and radius of the metal cations: Cr(III) > Pb(II) > Cu(II). The cation-π interaction was revealed as an important noncovalent binding force. There was a high correlation between the binding energies of the PAHs and K f ′ ( K f adjusted after normalizing the equilibrium concentration ( C e ) by the aqueous solubility ( C s )) ( R 2  > 0.906), indicating the significant role of the cation-π interactions to the improved PAH sorption to soils. Conclusions In the presence of heavy metals, the sorption capacities of naphthalene, phenanthrene, and pyrene to soils were enhanced by 21.1–107 %. The improved sorption capacity was largely contributed from the potent interactions between PAHs and heavy metals.

CAS / MDL: 10099-74-8 13548-38-4
研究领域: 环境科学 · 化学
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REACTIVE & FUNCTIONAL POLYMERS · 2022 · IF 4.966

Fluorine-containing amphiphilic quaternary ammonium salts for the suppression of Banana fusarium wilt

Yaling Lin,Deqiang Zhang,Shijie Shan,Wei Zhang,Rui Li,Anqiang Zhang

As the pathogen of banana Fusarium wilt, Fusarium oxysporum f . sp. cubense race 4 (Foc4) has the strongest toxicity and pathogenicity due to its long-term viability in soil, but there is still no effective way to control it at present. Based on the activity parameters of polymeric quaternary ammonium salt in our previous work, this paper hopes to enhance the amphiphilicity of polymeric quaternary ammonium salt by introducing a fluoroalkyl group to improve the antifungal property of polymeric quaternary ammonium salt and achieve stable adsorption and long-term inhibition of saprophytic Foc4 conidia in soil. Here, we prepared a series of fluorine-containing ammonium salts with random and block structures by atom transfer radical polymerization (ATRP), and we systematically studied the effects of the introduction of fluoroalkyl groups, the proportion of hydrophobic segments and polymer structure on micelle properties, antifungal properties, adsorption, migration and long-term antifungal properties against Foc4 in soil. Finally, the preferred polymeric quaternary ammonium salts were selected for pot experiments in the prevention and control of banana Fusarium wilt caused by Foc4, and positive experimental results were achieved. In conclusion, we made an exploratory attempt at the practical application of polymeric amphiphilic quaternary ammonium salt in plant disease control.

研究领域: 植物病理学 · 农业化学
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Scientific Reports · 2019 ·Vol. 9 ·期 1 ·1-11 · IF 4.011

The mechanism of bensulfuron-methyl complexation with β-cyclodextrin and 2-hydroxypropyl-β-cyclodextrin and effect on soil adsorption and bio-activity

Geng Qianqian,Li Tian,Wang Xin,Chu Weijing,Cai Mengling,Xie Jingchan,Ni Hanwen

In this work, the inclusion complexes of hydrophobic herbicide bensulfuron-methyl (BSM) with β-cyclodextrin (β-CD) and (2-hydroxypropyl)-β-CD (2-HP-β-CD) were prepared and characterized. Phase solubility study showed that both β-CD and 2-HP-β-CD increased the solubility of BSM. Three-dimensional structures of the inclusion complexes were simulated by the molecular docking method. The docking results indicated that guest BSM could enter into the cavities of host CDs, folded, and centrally aligned inside the inclusion complexes. The benzene ring of the guest molecule was close to the wide rim of the host molecules; the pyrimidine ring and side chains of the guest molecule were oriented toward the narrow rim of the host molecule. The inclusion complexes were successfully prepared by the coprecipitation method. The physiochemical characterization data of 1 H NMR, FT-IR, XRD, and DSC showed that the guest and host molecules were well included. BSM had lower soil adsorption and higher herbicidal activity in the complexation form with β-CD or 2-HP-β-CD than in the pure form. The present study provides an approach to develop a novel CDs-based formulation for hydrophobic herbicides.

CAS / MDL: 7585-39-9
研究领域: 农业科学 · 环境科学 · 药剂学
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