Pub Date : 2024-12-10Epub Date: 2024-10-16DOI: 10.1016/j.scitotenv.2024.176927
Aifeng Lv, Taohui Li, Wenbin Zhu, Wenxiang Zhang, Yonghao Liu
Reservoir carbon emissions reflect greenhouse gases emitted by flooded land post-construction. However, pre-construction flooded land has been overlooked in previous assessments. Utilizing annual land cover data from 1990 to 2022 and pertinent parameters of cascade reservoirs in the Lancang River (LCR), we calculated the actual flooded areas of these reservoirs. Subsequently, the Tier1 model was employed to estimate the carbon emissions during the reservoir's life cycle and the annual carbon emissions from newly flooded land during construction. Our findings indicate that the LCR cascade reservoir's carbon emission throughout its life cycle is 4.324Tg CO2eq (1.818-8.879Tg CO2eq). When compared with previous results, our estimated figures (0.496-2.106 g CO2eq/(kw·h)) fall below the global hydroelectric carbon footprint's average threshold range (IPCC: 4-14 g CO2eq/(kW·h)). This implies that the previously estimated carbon emissions from the reservoir may be inflated due to the flooded land prior to reservoir construction. Notably, the nutrient state of the water body predominantly governs reservoir carbon emissions. This research sheds light on the intricacies of carbon emissions from cascade reservoirs and underscores the importance of accurately delineating reservoir boundaries and managing nutrient inputs to mitigate carbon emissions.
水库碳排放反映了施工后淹没土地排放的温室气体。然而,以往的评估忽略了建设前的淹没土地。利用 1990 年至 2022 年的年度土地覆被数据和澜沧江(LCR)梯级水库的相关参数,我们计算了这些水库的实际淹没面积。随后,我们利用 Tier1 模型估算了水库生命周期内的碳排放量以及施工期间新淹没土地的年碳排放量。我们的研究结果表明,LCR 梯级水库整个生命周期的碳排放量为 4.324Tg CO2eq(1.818-8.879Tg CO2eq)。与之前的结果相比,我们的估算值(0.496-2.106 g CO2eq/(kw-h))低于全球水电碳足迹的平均阈值范围(IPCC,4-14 g CO2eq/(kw-h)):4-14 g CO2eq/(kW-h))。这意味着之前估算的水库碳排放量可能因水库建设前的淹没地而被夸大。值得注意的是,水体的营养状态是水库碳排放的主要决定因素。这项研究揭示了梯级水库碳排放的复杂性,强调了准确划定水库边界和管理养分输入以减少碳排放的重要性。
{"title":"The neglect of the change in inundation area leads to overestimation of carbon emission in cascade reservoirs.","authors":"Aifeng Lv, Taohui Li, Wenbin Zhu, Wenxiang Zhang, Yonghao Liu","doi":"10.1016/j.scitotenv.2024.176927","DOIUrl":"10.1016/j.scitotenv.2024.176927","url":null,"abstract":"<p><p>Reservoir carbon emissions reflect greenhouse gases emitted by flooded land post-construction. However, pre-construction flooded land has been overlooked in previous assessments. Utilizing annual land cover data from 1990 to 2022 and pertinent parameters of cascade reservoirs in the Lancang River (LCR), we calculated the actual flooded areas of these reservoirs. Subsequently, the Tier1 model was employed to estimate the carbon emissions during the reservoir's life cycle and the annual carbon emissions from newly flooded land during construction. Our findings indicate that the LCR cascade reservoir's carbon emission throughout its life cycle is 4.324Tg CO<sub>2eq</sub> (1.818-8.879Tg CO<sub>2eq</sub>). When compared with previous results, our estimated figures (0.496-2.106 g CO<sub>2eq</sub>/(kw·h)) fall below the global hydroelectric carbon footprint's average threshold range (IPCC: 4-14 g CO<sub>2eq</sub>/(kW·h)). This implies that the previously estimated carbon emissions from the reservoir may be inflated due to the flooded land prior to reservoir construction. Notably, the nutrient state of the water body predominantly governs reservoir carbon emissions. This research sheds light on the intricacies of carbon emissions from cascade reservoirs and underscores the importance of accurately delineating reservoir boundaries and managing nutrient inputs to mitigate carbon emissions.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":"955 ","pages":"176927"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142455133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-10-18DOI: 10.1016/j.scitotenv.2024.177029
Jingxin Xi, Bo Zhang, Yufeng Yang
The spatial layout of the air quality monitoring network (AQMN) is crucial for objective, accurate, and comprehensive air quality assessment. The current technical standard specified the minimum quantity requirements for air quality monitoring sites, but there were no standards to specify the spatial of monitoring sites. This study proposed a novel framework to evaluate and optimize the spatial layout of AQMN. First, this study proposed three indicators to evaluate the performance of the current AQMN. They were monitoring area repetition rate, population coverage rate, and correlations. The assessment of AQMN in Beijing-Tianjin-Hebei and surroundings areas (BTHs) showed the overall monitoring area repetition rate and population coverage rate was 81.07 % and 35.5 %, respectively, which means the current AQMN in BTHs has very high monitoring repeatability and limited population coverage. Secondly, a large-scale linear programming model was built to optimize the spatial layout and determine the spatial location of 279 newly added monitoring sites in BTHs according to the Environmental Monitoring 14th Five-Year Plan of China. The optimization results showed that the optimized AQMN covered 97 million additional people, and the population coverage rate increased to 49.5 %. The proposed framework provided a valuable tool to evaluate and optimize AQMN and could be a potential solution for developing new technical standards of AQMN.
{"title":"Optimizing air quality monitoring spatial layout by maximizing the coverage of the population in Beijing-Tianjin-Hebei and surrounding areas.","authors":"Jingxin Xi, Bo Zhang, Yufeng Yang","doi":"10.1016/j.scitotenv.2024.177029","DOIUrl":"10.1016/j.scitotenv.2024.177029","url":null,"abstract":"<p><p>The spatial layout of the air quality monitoring network (AQMN) is crucial for objective, accurate, and comprehensive air quality assessment. The current technical standard specified the minimum quantity requirements for air quality monitoring sites, but there were no standards to specify the spatial of monitoring sites. This study proposed a novel framework to evaluate and optimize the spatial layout of AQMN. First, this study proposed three indicators to evaluate the performance of the current AQMN. They were monitoring area repetition rate, population coverage rate, and correlations. The assessment of AQMN in Beijing-Tianjin-Hebei and surroundings areas (BTHs) showed the overall monitoring area repetition rate and population coverage rate was 81.07 % and 35.5 %, respectively, which means the current AQMN in BTHs has very high monitoring repeatability and limited population coverage. Secondly, a large-scale linear programming model was built to optimize the spatial layout and determine the spatial location of 279 newly added monitoring sites in BTHs according to the Environmental Monitoring 14th Five-Year Plan of China. The optimization results showed that the optimized AQMN covered 97 million additional people, and the population coverage rate increased to 49.5 %. The proposed framework provided a valuable tool to evaluate and optimize AQMN and could be a potential solution for developing new technical standards of AQMN.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177029"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142455097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-10-22DOI: 10.1016/j.scitotenv.2024.177031
Sofía Campana, Pedro M Tognetti, Juan Alberti, Pamela Graff, Cecilia D Molina, María Celeste Silvoso, Laura Yahdjian
Human activities alter biomass, nutrient availability, and species dominance in grasslands, impacting their richness, composition, and biomass production. Stability (invariability in time or space) can inform the predictability of plant communities in response to human activities. However, this measure has been simplistically analyzed for temporal (interannual) changes in live biomass, disregarding their spatial stability and the temporal stability of other plant community attributes. Moreover, the simultaneous analysis of temporal and spatial stabilities of plant communities has been scarcely assessed. Here, we test how biomass removal and nutrient addition simultaneously modify the temporal and spatial stabilities of plant richness (α diversity), composition dissimilarity (β diversity), aboveground live biomass, and the role of plant species dominance in the stability responses. We conducted a factorial experiment of biomass removal (grazing, mowing, or intact -no removal-) and nutrient addition (unfertilized or fertilized with nitrogen, phosphorus, and potassium) in a temperate grassland of Argentina, South America. We replicated the experiment in 6 blocks over 10 years to estimate the temporal and spatial stabilities of the plant community. The spatiotemporal stability of plant richness and composition dissimilarity decreased in the intact grassland, while the temporal stability of live biomass increased, compared to the grazed and mowed grasslands. Nutrient addition reduced the spatiotemporal stability of live biomass and the spatial stability of plant richness. The stabilities of species richness as well as that of composition dissimilarity were negatively associated with plant dominance, while the live biomass stability was not. Our results suggest that simplifying the effect of biomass removal and nutrient addition on grassland stability is not feasible, as plant diversity stability responses are not surrogates for biomass stability. The contrasting spatiotemporal stability responses of plant diversity and biomass represent a step forward in predicting human activities' impact over time and across space in temperate grasslands.
{"title":"The spatiotemporal stability of plant diversity is disconnected from biomass stability in response to human activities in a South American temperate grassland.","authors":"Sofía Campana, Pedro M Tognetti, Juan Alberti, Pamela Graff, Cecilia D Molina, María Celeste Silvoso, Laura Yahdjian","doi":"10.1016/j.scitotenv.2024.177031","DOIUrl":"10.1016/j.scitotenv.2024.177031","url":null,"abstract":"<p><p>Human activities alter biomass, nutrient availability, and species dominance in grasslands, impacting their richness, composition, and biomass production. Stability (invariability in time or space) can inform the predictability of plant communities in response to human activities. However, this measure has been simplistically analyzed for temporal (interannual) changes in live biomass, disregarding their spatial stability and the temporal stability of other plant community attributes. Moreover, the simultaneous analysis of temporal and spatial stabilities of plant communities has been scarcely assessed. Here, we test how biomass removal and nutrient addition simultaneously modify the temporal and spatial stabilities of plant richness (α diversity), composition dissimilarity (β diversity), aboveground live biomass, and the role of plant species dominance in the stability responses. We conducted a factorial experiment of biomass removal (grazing, mowing, or intact -no removal-) and nutrient addition (unfertilized or fertilized with nitrogen, phosphorus, and potassium) in a temperate grassland of Argentina, South America. We replicated the experiment in 6 blocks over 10 years to estimate the temporal and spatial stabilities of the plant community. The spatiotemporal stability of plant richness and composition dissimilarity decreased in the intact grassland, while the temporal stability of live biomass increased, compared to the grazed and mowed grasslands. Nutrient addition reduced the spatiotemporal stability of live biomass and the spatial stability of plant richness. The stabilities of species richness as well as that of composition dissimilarity were negatively associated with plant dominance, while the live biomass stability was not. Our results suggest that simplifying the effect of biomass removal and nutrient addition on grassland stability is not feasible, as plant diversity stability responses are not surrogates for biomass stability. The contrasting spatiotemporal stability responses of plant diversity and biomass represent a step forward in predicting human activities' impact over time and across space in temperate grasslands.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177031"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142492430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-11-02DOI: 10.1016/j.scitotenv.2024.177275
Emad Sanei, Itzel Marquez
Despite extensive efforts to understand the photodegradation of phenolic contaminants of emerging concern (PhCECs) in aquatic systems, prediction methods, especially in waters containing effluent organic matter (EfOM), remain underdeveloped. This study introduces a prediction method for p-cresol, a representative PhCECs, based on correlations between EfOM optical parameters and p-cresol kinetic parameters. We examined p-cresol photodegradation in various EfOM samples, characterized by their optical properties, and used the reaction rate coefficient between EfOM and p-cresol, α3EfOM⁎, to quantify and predict p-cresol degradation in different wastewater effluent samples. Results showed significant correlations between p-cresol's photodegradation rate constant (0.144 to 0.441 h-1) and EfOM characteristics, with α3EfOM⁎ values ranging from 4 × 1011 to 10 × 1011 M-1 s-1. The method was validated with p-cresol at concentrations ranging from 25 to 100 μM and multiple EfOM samples. The method's applicability was further evaluated using propranolol, a pharmaceutical contaminant of emerging concern, demonstrating its versatility for predicting the degradation behavior of other contaminants in different wastewater samples. The method accurately predicted p-cresol and propranolol degradation across diverse wastewater samples, suggesting its potential for expansion to other classes of contaminants, aiding in water quality management, improving wastewater treatment processes, and enhancing environmental risk assessments.
{"title":"Introducing a prediction method for the photodegradation of p-cresol, a phenolic contaminant of emerging concern, in wastewater effluent.","authors":"Emad Sanei, Itzel Marquez","doi":"10.1016/j.scitotenv.2024.177275","DOIUrl":"10.1016/j.scitotenv.2024.177275","url":null,"abstract":"<p><p>Despite extensive efforts to understand the photodegradation of phenolic contaminants of emerging concern (PhCECs) in aquatic systems, prediction methods, especially in waters containing effluent organic matter (EfOM), remain underdeveloped. This study introduces a prediction method for p-cresol, a representative PhCECs, based on correlations between EfOM optical parameters and p-cresol kinetic parameters. We examined p-cresol photodegradation in various EfOM samples, characterized by their optical properties, and used the reaction rate coefficient between EfOM and p-cresol, α<sub>3EfOM⁎,</sub> to quantify and predict p-cresol degradation in different wastewater effluent samples. Results showed significant correlations between p-cresol's photodegradation rate constant (0.144 to 0.441 h<sup>-1</sup>) and EfOM characteristics, with α<sub>3EfOM⁎</sub> values ranging from 4 × 10<sup>11</sup> to 10 × 10<sup>11</sup> M<sup>-1</sup> s<sup>-1</sup>. The method was validated with p-cresol at concentrations ranging from 25 to 100 μM and multiple EfOM samples. The method's applicability was further evaluated using propranolol, a pharmaceutical contaminant of emerging concern, demonstrating its versatility for predicting the degradation behavior of other contaminants in different wastewater samples. The method accurately predicted p-cresol and propranolol degradation across diverse wastewater samples, suggesting its potential for expansion to other classes of contaminants, aiding in water quality management, improving wastewater treatment processes, and enhancing environmental risk assessments.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177275"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142556824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Iron (Fe) oxides in wetland soils are crucial for stabilizing soil organic carbon (SOC) by forming stable Fe-OC complexes, thus protecting SOC from microbial breakdown and aiding its preservation. This study delves into the response of Fe (hydr-)oxides to salt stress, a relatively unexplored area, by examining Kandelia obovata, a key mangrove species. Through controlled climate chamber experiments, we investigated how salt stress affects the interactions between Fe (hydr-)oxides and SOC in root exudates (REs) and rhizosphere soils. Our results demonstrate that salinity at 30 ppt significantly increases the release of sugars, amino acids, inorganic nutrients (NH4+, NO3-), and phosphorus in K. obovata's REs, while reducing crystalline and amorphous Fe (hydr-)oxides and increasing complexed Fe (hydr-)oxide levels, thereby reducing their crystallinity in rhizosphere soils. Importantly, at elevated salinity (30 ppt), the Fe-OC bond in the rhizosphere shows greater stability, indicating enhanced resilience to salt stress compared to bulk soil. Salt stress also raises the carbon to nitrogen (C/N) ratio in REs. Testing artificial REs (AREs) with different C/N ratios showed that Fe (hydr-)oxide content decreases at C/N ratios of 10 and 30 compared to the control, whereas Fe-OC content increases with higher C/N ratios. Introduction of AREs with a C/N ratio of 20 significantly affected rhizosphere crystalline Fe (hydr-)oxide and Fe-OC content, highlighting AREs' impact on the binding of Fe (hydr-) oxides and OC. The presence of soil microorganisms was critical for the binding of Fe (hydr-) oxides and OC, as sterilized soil exhibited significantly lower levels of Fe (hydr-) oxides and Fe-OC compared to unsterilized soil. This research reveals that under salt stress, mangrove plants play a crucial role in stabilizing rhizosphere SOC by influencing Fe (hydr-) oxide crystallinity and promoting the formation of stable Fe-OC complexes, highlighting the complex interactions between plant REs, salt stress, and soil minerals.
湿地土壤中的铁(Fe)氧化物对稳定土壤有机碳(SOC)至关重要,它能形成稳定的铁-有机碳复合物,从而保护土壤有机碳不受微生物分解,并有助于其保存。本研究通过考察一种重要的红树林物种 Kandelia obovata,深入研究铁(水合)氧化物对盐胁迫的响应,这是一个相对未开发的领域。通过受控气候室实验,我们研究了盐胁迫如何影响根系渗出液(REs)和根瘤土壤中铁(水合)氧化物与 SOC 之间的相互作用。我们的结果表明,30 ppt 的盐度会显著增加 K. obovata 的 REs 中糖、氨基酸、无机养分(NH4+、NO3-)和磷的释放,同时减少结晶和无定形氧化铁(水合),增加络合氧化铁(水合)的含量,从而降低它们在根瘤土壤中的结晶度。重要的是,在盐度升高(30 ppt)的情况下,根瘤菌圈中的铁-有机碳键表现出更高的稳定性,这表明与块状土壤相比,根瘤菌圈对盐胁迫的恢复能力更强。盐胁迫还提高了根瘤菌中的碳氮比(C/N)。对不同碳氮比的人工可再生植被(AREs)进行的测试表明,与对照组相比,当碳氮比为 10 和 30 时,氧化铁(氢)含量会降低,而当碳氮比越高时,铁-有机碳(Fe-OC)含量会增加。引入 C/N 比为 20 的 ARE 会显著影响根瘤菌结晶氧化铁(水合)和铁-有机碳的含量,这表明 ARE 对氧化铁(水合)和有机碳的结合有影响。土壤微生物的存在对于铁(水合)氧化物和有机碳的结合至关重要,因为与未灭菌土壤相比,灭菌土壤中铁(水合)氧化物和铁-有机碳的含量明显较低。这项研究揭示了在盐胁迫条件下,红树林植物通过影响铁(水合)氧化物的结晶度和促进稳定的铁-有机碳复合物的形成,在稳定根瘤层 SOC 方面发挥了关键作用,凸显了植物 REs、盐胁迫和土壤矿物质之间复杂的相互作用。
{"title":"Effects of salinity on iron-organic carbon binding in the rhizosphere of Kandelia obovata: Insights from root exudate analysis.","authors":"Ying Lei, Yuxin Bi, Xinhan Dong, Hongcheng Li, Xiaoqing Gao, Xiuzhen Li, Zhongzheng Yan","doi":"10.1016/j.scitotenv.2024.177214","DOIUrl":"10.1016/j.scitotenv.2024.177214","url":null,"abstract":"<p><p>Iron (Fe) oxides in wetland soils are crucial for stabilizing soil organic carbon (SOC) by forming stable Fe-OC complexes, thus protecting SOC from microbial breakdown and aiding its preservation. This study delves into the response of Fe (hydr-)oxides to salt stress, a relatively unexplored area, by examining Kandelia obovata, a key mangrove species. Through controlled climate chamber experiments, we investigated how salt stress affects the interactions between Fe (hydr-)oxides and SOC in root exudates (REs) and rhizosphere soils. Our results demonstrate that salinity at 30 ppt significantly increases the release of sugars, amino acids, inorganic nutrients (NH<sub>4</sub><sup>+</sup>, NO<sub>3</sub><sup>-</sup>), and phosphorus in K. obovata's REs, while reducing crystalline and amorphous Fe (hydr-)oxides and increasing complexed Fe (hydr-)oxide levels, thereby reducing their crystallinity in rhizosphere soils. Importantly, at elevated salinity (30 ppt), the Fe-OC bond in the rhizosphere shows greater stability, indicating enhanced resilience to salt stress compared to bulk soil. Salt stress also raises the carbon to nitrogen (C/N) ratio in REs. Testing artificial REs (AREs) with different C/N ratios showed that Fe (hydr-)oxide content decreases at C/N ratios of 10 and 30 compared to the control, whereas Fe-OC content increases with higher C/N ratios. Introduction of AREs with a C/N ratio of 20 significantly affected rhizosphere crystalline Fe (hydr-)oxide and Fe-OC content, highlighting AREs' impact on the binding of Fe (hydr-) oxides and OC. The presence of soil microorganisms was critical for the binding of Fe (hydr-) oxides and OC, as sterilized soil exhibited significantly lower levels of Fe (hydr-) oxides and Fe-OC compared to unsterilized soil. This research reveals that under salt stress, mangrove plants play a crucial role in stabilizing rhizosphere SOC by influencing Fe (hydr-) oxide crystallinity and promoting the formation of stable Fe-OC complexes, highlighting the complex interactions between plant REs, salt stress, and soil minerals.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177214"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-11-01DOI: 10.1016/j.scitotenv.2024.177145
Taewoo Kim, Juyuan Zhen, Junghyun Lee, Shin Yeong Park, Changkeun Lee, Bong-Oh Kwon, Seongjin Hong, Hyeong-Moo Shin, John P Giesy, Gap Soo Chang, Jong Seong Khim
Ligand-specific binding interactions of xenobiotics with receptor proteins form the basis of cytotoxicity-based hazard assessment. Computational approaches enable predictive hazard assessment for a large number of chemicals in a high-throughput manner, minimizing the use of animal testing. However, in silico models for predicting mechanisms of toxic actions and potencies are difficult to develop because toxicity datasets or comprehensive understanding of the complicated kinetic process of ligand-receptor interactions are needed for model development. In this study, a directional reactive binding factor (DRBF) model based on first principles was used to predict cytotoxicity potencies of agonists of the aryl hydrocarbon receptor (AhR) for 16 different polycyclic aromatic hydrocarbons (PAHs). Molecular dynamics were simulated by accounting for the directional configuration factor toward receptor protein and the factor of binding to the Per-Arnt-Sim (PAS) domain. When comparing the experimental results of toxic potencies from in vitro bioassays with the predictions among two different in silico models, including quantitative structure-activity relationship (QSAR) and molecular docking models, the DRBF model exhibited the highest model performance (R2 = 0.90 and p < 0.01). Our results showed that the DRBF model based on first principles and molecular and computational structural biology could serve as a novel framework to advance next generation hazard assessment for high-throughput screening of chemical substances.
{"title":"Prediction of cytotoxicity of polycyclic aromatic hydrocarbons from first principles.","authors":"Taewoo Kim, Juyuan Zhen, Junghyun Lee, Shin Yeong Park, Changkeun Lee, Bong-Oh Kwon, Seongjin Hong, Hyeong-Moo Shin, John P Giesy, Gap Soo Chang, Jong Seong Khim","doi":"10.1016/j.scitotenv.2024.177145","DOIUrl":"10.1016/j.scitotenv.2024.177145","url":null,"abstract":"<p><p>Ligand-specific binding interactions of xenobiotics with receptor proteins form the basis of cytotoxicity-based hazard assessment. Computational approaches enable predictive hazard assessment for a large number of chemicals in a high-throughput manner, minimizing the use of animal testing. However, in silico models for predicting mechanisms of toxic actions and potencies are difficult to develop because toxicity datasets or comprehensive understanding of the complicated kinetic process of ligand-receptor interactions are needed for model development. In this study, a directional reactive binding factor (DRBF) model based on first principles was used to predict cytotoxicity potencies of agonists of the aryl hydrocarbon receptor (AhR) for 16 different polycyclic aromatic hydrocarbons (PAHs). Molecular dynamics were simulated by accounting for the directional configuration factor toward receptor protein and the factor of binding to the Per-Arnt-Sim (PAS) domain. When comparing the experimental results of toxic potencies from in vitro bioassays with the predictions among two different in silico models, including quantitative structure-activity relationship (QSAR) and molecular docking models, the DRBF model exhibited the highest model performance (R<sup>2</sup> = 0.90 and p < 0.01). Our results showed that the DRBF model based on first principles and molecular and computational structural biology could serve as a novel framework to advance next generation hazard assessment for high-throughput screening of chemical substances.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177145"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142566714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Constructed wetlands (CWs) have been proven to effectively remove antibiotic resistance genes (ARGs) at different experimental scales; however, there is still a lack of researches on the removal and monitoring of ARGs during the actual operation of full-scale CWs. To fill this gap, this study selected the Annan constructed wetland in Beijing as a case study and utilized quantitative sequencing, metagenomic analysis, and other technical methods to determine characteristics of ARGs in CWs during different operating periods. Furthermore, we analysed the overall removal characteristics of ARGs in the CW during different operating periods and differences of ARG distribution in three media. The dominant ARGs in the CW were quinolone, β-lactam and tetracycline, with subtypes of tufA and fusA. ARG distributions are significantly influenced by anthropic activities and seasonal changes. Three periods of the CW had good removal effects on special ARGs, but there were differences in the removal characteristics of different types and subtypes of ARGs. The CW had removal effects on four types of ARGs (such as multidrugs), 16 types of fusidic acid, and nine types of ARGs (such as bleomycin) during the dormancy, start-up, and operation periods, respectively. Among ARG subtypes, the CW had removal effects on 37, 53, and 51 subtypes during the dormancy, start-up, and operation periods, respectively. The subtypes that were removed mainly included those containing tetracycline, efflux pump, and β-lactam, mcr-1, and mcr-5 (colistin ARGs). For individual parts of CWs, the removal effects on the total abundance of ARGs were as follows: forebay > surface flow wetland > subsurface flow wetland. These findings provide insights for optimizing the purification efficiency of CWs for ARGs.
{"title":"Jointly considering multi-medium and full-cycle to better reveal distribution and removal of antibiotic resistance genes in long-term constructed wetland.","authors":"Linmei Liu, Xu Han, Jingdan Hu, Haiyang Chen, Yuanzheng Zhai","doi":"10.1016/j.scitotenv.2024.177276","DOIUrl":"10.1016/j.scitotenv.2024.177276","url":null,"abstract":"<p><p>Constructed wetlands (CWs) have been proven to effectively remove antibiotic resistance genes (ARGs) at different experimental scales; however, there is still a lack of researches on the removal and monitoring of ARGs during the actual operation of full-scale CWs. To fill this gap, this study selected the Annan constructed wetland in Beijing as a case study and utilized quantitative sequencing, metagenomic analysis, and other technical methods to determine characteristics of ARGs in CWs during different operating periods. Furthermore, we analysed the overall removal characteristics of ARGs in the CW during different operating periods and differences of ARG distribution in three media. The dominant ARGs in the CW were quinolone, β-lactam and tetracycline, with subtypes of tufA and fusA. ARG distributions are significantly influenced by anthropic activities and seasonal changes. Three periods of the CW had good removal effects on special ARGs, but there were differences in the removal characteristics of different types and subtypes of ARGs. The CW had removal effects on four types of ARGs (such as multidrugs), 16 types of fusidic acid, and nine types of ARGs (such as bleomycin) during the dormancy, start-up, and operation periods, respectively. Among ARG subtypes, the CW had removal effects on 37, 53, and 51 subtypes during the dormancy, start-up, and operation periods, respectively. The subtypes that were removed mainly included those containing tetracycline, efflux pump, and β-lactam, mcr-1, and mcr-5 (colistin ARGs). For individual parts of CWs, the removal effects on the total abundance of ARGs were as follows: forebay > surface flow wetland > subsurface flow wetland. These findings provide insights for optimizing the purification efficiency of CWs for ARGs.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177276"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-10-31DOI: 10.1016/j.scitotenv.2024.177258
Changyi Lu, Yifang Zhang, Heikki Setälä, Qing-Lin Chen
Urban greenspace soils can store equal amount of carbon, or even more, compared to agricultural and forest soils, and play an important role in carbon sequestration. Despite its importance, the patterns and drivers of the priming effect-a key and complex process in soil organic matter decomposition-in urban ecosystems remain poorly understood. Here, we sampled soils in urban lawns, suburban lawns, and forests, and conducted a 30-day microcosm incubation with 13C-labelled glucose and nitrogen additions to explore whether and how the intensity of soil organic matter priming effect differs between urbanized and forest ecosystems. We found that lawn soils in urban (7.01 mg C g-1 SOC) and suburban (5.86) areas had a significantly higher intensity of priming effect than forest soils (1.34), with further enhancement observed in urban lawn soils through simulated nitrogen deposition. Moreover, the alpha diversity of soil bacteria and fungi was found to play a crucial role in modulating the priming effect, exhibiting a positive correlation with its intensity. These findings advance our understanding of the potential mechanisms behind the soil priming effect in urban greenspaces, providing crucial insights for predicting soil carbon stocks and environmental impacts of urban development.
与农业土壤和森林土壤相比,城市绿地土壤可以储存同等数量的碳,甚至更多,在固碳方面发挥着重要作用。尽管其重要性不言而喻,但人们对城市生态系统中的启动效应--土壤有机物质分解的一个关键而复杂的过程--的模式和驱动因素仍然知之甚少。在这里,我们对城市草坪、郊区草坪和森林的土壤进行了采样,并通过添加 13C 标记的葡萄糖和氮进行了为期 30 天的微生态系统培养,以探索城市化生态系统和森林生态系统的土壤有机物质引诱效应强度是否存在差异以及如何差异。我们发现,城市(7.01 毫克 C g-1 SOC)和郊区(5.86 毫克 C g-1)草坪土壤的引诱效应强度明显高于森林土壤(1.34 毫克 C g-1),通过模拟氮沉积,城市草坪土壤的引诱效应进一步增强。此外,研究还发现土壤细菌和真菌的阿尔法多样性在调节引物效应方面起着至关重要的作用,与引物效应的强度呈正相关。这些发现加深了我们对城市绿地土壤启动效应背后潜在机制的理解,为预测土壤碳储量和城市发展对环境的影响提供了重要启示。
{"title":"Labile carbon input substantially increases priming effect in urban greenspace soils.","authors":"Changyi Lu, Yifang Zhang, Heikki Setälä, Qing-Lin Chen","doi":"10.1016/j.scitotenv.2024.177258","DOIUrl":"10.1016/j.scitotenv.2024.177258","url":null,"abstract":"<p><p>Urban greenspace soils can store equal amount of carbon, or even more, compared to agricultural and forest soils, and play an important role in carbon sequestration. Despite its importance, the patterns and drivers of the priming effect-a key and complex process in soil organic matter decomposition-in urban ecosystems remain poorly understood. Here, we sampled soils in urban lawns, suburban lawns, and forests, and conducted a 30-day microcosm incubation with <sup>13</sup>C-labelled glucose and nitrogen additions to explore whether and how the intensity of soil organic matter priming effect differs between urbanized and forest ecosystems. We found that lawn soils in urban (7.01 mg C g<sup>-1</sup> SOC) and suburban (5.86) areas had a significantly higher intensity of priming effect than forest soils (1.34), with further enhancement observed in urban lawn soils through simulated nitrogen deposition. Moreover, the alpha diversity of soil bacteria and fungi was found to play a crucial role in modulating the priming effect, exhibiting a positive correlation with its intensity. These findings advance our understanding of the potential mechanisms behind the soil priming effect in urban greenspaces, providing crucial insights for predicting soil carbon stocks and environmental impacts of urban development.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177258"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-10-31DOI: 10.1016/j.scitotenv.2024.177256
Shiyu Dai, Ligong Zou, Qing Wang
Tris (1-chloro-2-propyl) phosphoric acid (TCPP), a widely used organophosphate flame retardant, has been detected in various aquatic environments due to its extensive industrial application. TCPP is well-known to negatively impact large aquatic organisms. However, the effects of TCPP on zooplankton remain poorly understood. This study explored the ecological risk of TCPP in low-trophic marine organisms by evaluating the marine rotifer Brachionus plicatilis at the molecular, biochemical, individual, and population levels after exposure to TCPP concentrations of 14.79, 44.37, and 73.94 μM. Results showed that exposure to TCPP inhibited body size, feeding behavior, life expectancy, generation time, net reproductive rate, reproduction rate, and population growth rate of rotifers, thus impairing their growth, survival, reproduction, and population expansion. Environmental concentrations surpassing 0.031 μM and 0.23 μM adversely impact rotifer reproduction and survival, respectively. Biochemically, TCPP induced oxidative stress, increased amylase activity, decreased lipase activity, and total protein content. Transcriptome analysis revealed that TCPP could induce abnormal mitochondrial function, impaired energy metabolism, programmed cell death by generating excessive reactive oxygen species, and affect cellular DNA replication. Results indicate that TCPP disrupts homeostasis in rotifers by inducing oxidative stress, significantly suppressing individual and population parameters. These findings provide critical insights for assessing the ecological risk posed by TCPP to zooplankton and the stability of aquatic ecosystems.
{"title":"Toxicity of organophosphate flame retardant in marine rotifers: Evidence from the population, individual, biochemical and molecular levels.","authors":"Shiyu Dai, Ligong Zou, Qing Wang","doi":"10.1016/j.scitotenv.2024.177256","DOIUrl":"10.1016/j.scitotenv.2024.177256","url":null,"abstract":"<p><p>Tris (1-chloro-2-propyl) phosphoric acid (TCPP), a widely used organophosphate flame retardant, has been detected in various aquatic environments due to its extensive industrial application. TCPP is well-known to negatively impact large aquatic organisms. However, the effects of TCPP on zooplankton remain poorly understood. This study explored the ecological risk of TCPP in low-trophic marine organisms by evaluating the marine rotifer Brachionus plicatilis at the molecular, biochemical, individual, and population levels after exposure to TCPP concentrations of 14.79, 44.37, and 73.94 μM. Results showed that exposure to TCPP inhibited body size, feeding behavior, life expectancy, generation time, net reproductive rate, reproduction rate, and population growth rate of rotifers, thus impairing their growth, survival, reproduction, and population expansion. Environmental concentrations surpassing 0.031 μM and 0.23 μM adversely impact rotifer reproduction and survival, respectively. Biochemically, TCPP induced oxidative stress, increased amylase activity, decreased lipase activity, and total protein content. Transcriptome analysis revealed that TCPP could induce abnormal mitochondrial function, impaired energy metabolism, programmed cell death by generating excessive reactive oxygen species, and affect cellular DNA replication. Results indicate that TCPP disrupts homeostasis in rotifers by inducing oxidative stress, significantly suppressing individual and population parameters. These findings provide critical insights for assessing the ecological risk posed by TCPP to zooplankton and the stability of aquatic ecosystems.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177256"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-10Epub Date: 2024-10-31DOI: 10.1016/j.scitotenv.2024.177113
Alessio Monnanni, Valentina Rimondi, Guia Morelli, Alessia Nannoni, Alessandra Cincinelli, Tania Martellini, David Chelazzi, Marco Laurati, Laura Sforzi, Francesco Ciani, Pierfranco Lattanzi, Pilario Costagliola
Fluvial ecosystems are among the main drivers of microparticles (MPC) in the form of both synthetic polymers (i.e. microplastics; MPs) and natural-based textile fibers (MFTEX) to the seas. A wide dimensional range of MPC (5 to 5000 μm, hereafter MPCTOT) were investigated for the first time in the Arno River waters, one of the principal rivers of Central Italy, crossing a highly anthropized landscape. Fluxes of MPCTOT discharging to the Mediterranean Sea, one the most polluted Sea worldwide, were estimated as well. A specific sampling and analytical protocol was set up to distinguish between microplastics (MPs) and natural-based textile fibers (MFTEX) contribution for MPC larger than 60 μm (MPC>60), and investigate MPC smaller than 60 μm (MPC<60) as well. Results suggest extreme MPCTOT contamination all along the river (up to 6 × 104 particles/L), strongly driven by MPC<60, which account for >99 % of total particles found and whose abundance increases inversely with particle size. The MPC>60 fraction (<0.5 % of MPCTOT) highlighted a predominance (76 % of the total) of MFTEX and synthetic polymers microfibers (e.g., PET) suggesting strong contributions from laundry effluents. Specifically, MFTEX represent around 70 % of all MPC>60. The metropolitan area of Florence was identified as an MPCTOT hotspot as a consequence of the intense urbanization and possibly of over-tourism phenomenon affecting the city. The Arno River discharges approximately 4.6 × 1015 MPCTOT annually to the Mediterranean Sea. Fluxes are highly dependent on the seasonality, with a MPCTOT delivery of 2.4 × 1013 particles/day and 1.2 × 1012 particles/day during wet and dry season, respectively. The total mass of discharged MPCTOT is estimated at about 29 tons/year (t/y); the MPC>60 fraction amounts to about 8 t/y, and MFTEX to about 1 t/y.
{"title":"Microplastics and microfibers contamination in the Arno River (Central Italy): Impact from urban areas and contribution to the Mediterranean Sea.","authors":"Alessio Monnanni, Valentina Rimondi, Guia Morelli, Alessia Nannoni, Alessandra Cincinelli, Tania Martellini, David Chelazzi, Marco Laurati, Laura Sforzi, Francesco Ciani, Pierfranco Lattanzi, Pilario Costagliola","doi":"10.1016/j.scitotenv.2024.177113","DOIUrl":"10.1016/j.scitotenv.2024.177113","url":null,"abstract":"<p><p>Fluvial ecosystems are among the main drivers of microparticles (MPC) in the form of both synthetic polymers (i.e. microplastics; MPs) and natural-based textile fibers (MF<sub>TEX</sub>) to the seas. A wide dimensional range of MPC (5 to 5000 μm, hereafter MPC<sub>TOT</sub>) were investigated for the first time in the Arno River waters, one of the principal rivers of Central Italy, crossing a highly anthropized landscape. Fluxes of MPC<sub>TOT</sub> discharging to the Mediterranean Sea, one the most polluted Sea worldwide, were estimated as well. A specific sampling and analytical protocol was set up to distinguish between microplastics (MPs) and natural-based textile fibers (MF<sub>TEX</sub>) contribution for MPC larger than 60 μm (MPC<sub>>60</sub>), and investigate MPC smaller than 60 μm (MPC<sub><60</sub>) as well. Results suggest extreme MPC<sub>TOT</sub> contamination all along the river (up to 6 × 10<sup>4</sup> particles/L), strongly driven by MPC<sub><60</sub>, which account for >99 % of total particles found and whose abundance increases inversely with particle size. The MPC<sub>>60</sub> fraction (<0.5 % of MPC<sub>TOT</sub>) highlighted a predominance (76 % of the total) of MF<sub>TEX</sub> and synthetic polymers microfibers (e.g., PET) suggesting strong contributions from laundry effluents. Specifically, MF<sub>TEX</sub> represent around 70 % of all MPC<sub>>60</sub>. The metropolitan area of Florence was identified as an MPC<sub>TOT</sub> hotspot as a consequence of the intense urbanization and possibly of over-tourism phenomenon affecting the city. The Arno River discharges approximately 4.6 × 10<sup>15</sup> MPC<sub>TOT</sub> annually to the Mediterranean Sea. Fluxes are highly dependent on the seasonality, with a MPC<sub>TOT</sub> delivery of 2.4 × 10<sup>13</sup> particles/day and 1.2 × 10<sup>12</sup> particles/day during wet and dry season, respectively. The total mass of discharged MPC<sub>TOT</sub> is estimated at about 29 tons/year (t/y); the MPC<sub>>60</sub> fraction amounts to about 8 t/y, and MF<sub>TEX</sub> to about 1 t/y.</p>","PeriodicalId":422,"journal":{"name":"Science of the Total Environment","volume":" ","pages":"177113"},"PeriodicalIF":8.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}