Environmental Science: Processes & Impacts最新文献

{"title":"Correction: Iodine emission from the reactive uptake of ozone to simulated seawater","authors":"Stephanie R. Schneider, Pascale S. J. Lakey, Manabu Shiraiwa and Jonathan P. D. Abbatt","doi":"10.1039/D3EM90034G","DOIUrl":"10.1039/D3EM90034G","url":null,"abstract":"<p >Correction for ‘Iodine emission from the reactive uptake of ozone to simulated seawater’ by Stephanie R. Schneider <em>et al.</em>, <em>Environ. Sci.: Processes Impacts</em>, 2023, <strong>25</strong>, 254–263, https://doi.org/10.1039/D2EM00111J.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1732-1732"},"PeriodicalIF":5.5,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/em/d3em90034g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41090770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New insight into environmental oxidation of phosmet insecticide initiated by HO˙ radicals in gas and water – a theoretical study†","authors":"Hisham K. Al Rawas, Reem Al Mawla, Thi Yen Nhi Pham, Dinh Hieu Truong, Thi Le Anh Nguyen, Sonia Taamalli, Marc Ribaucour, Abderrahman El Bakali, Ivan Černušák, Duy Quang Dao and Florent Louis","doi":"10.1039/D3EM00325F","DOIUrl":"10.1039/D3EM00325F","url":null,"abstract":"<p >Phosmet is an organophosphorus insecticide widely used in agriculture to control a range of insects; recently, it was banned by the European Union in 2022 due to its harmful effects. However, its environmental degradation and fate have not yet been evident. Thus, phosmet oxidation by HO˙ radicals was theoretically studied in this work using the DFT approach at the M06-2X/6-311++G(3df,3pd)//M06-2X/6-31+G(d,p) level of theory. Three different mechanisms were considered, including formal hydrogen transfer (FHT), radical adduct formation (RAF), and single electron transfer (SET). The mechanisms, kinetics, and lifetime were studied in the gas and aqueous phases, in addition to its ecotoxicity evaluation. The results show that FHT reactions were dominant in the gas phase, while RAF was more favourable in the aqueous phase at 298 K, while SET was negligible. The branching ratio indicated that H-abstractions at the methyl and the methylene groups were the most predominant, while the most favourable HO˙-addition was observed at the phosphorus atom of the dithiophosphate group. The overall rate constant values varied from 1.2 × 10<small>⁹</small> (at 283 K) to 1.40 × 10<small>⁹</small> M<small>⁻¹</small> s<small>⁻¹</small> (at 323 K) in the aqueous phase and from 6.29 × 10<small>¹⁰</small> (at 253 K) to 1.32 × 10<small>¹⁰</small> M<small>⁻¹</small> s<small>⁻¹</small> (at 323 K) in the gas phase. The atmospheric lifetime of phosmet is about 6 hours at 287 K, while it can persist from a few seconds to several years depending on the temperature and [HO˙] concentration in the aqueous environment. The QSAR-based ecotoxicity evaluation indicates that phosmet and its degradation products are all dangerous to aquatic organisms, although the products are less toxic than phosmet. However, they are generally developmental toxicants and mutagenicity-negative compounds.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 12","pages":" 2042-2056"},"PeriodicalIF":5.5,"publicationDate":"2023-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41230415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Mechanism and applications of bidirectional extracellular electron transfer of Shewanella","authors":"Yuxuan Zang, Bo Cao, Hongyu Zhao, Beizhen Xie, Yanhong Ge, Hong Liu and Yue Yi","doi":"10.1039/D3EM00224A","DOIUrl":"10.1039/D3EM00224A","url":null,"abstract":"<p >Electrochemically active microorganisms (EAMs) play an important role in the fields of environment and energy. <em>Shewanella</em> is the most common EAM. Research into <em>Shewanella</em> contributes to a deeper comprehension of EAMs and expands practical applications. In this review, the outward and inward extracellular electron transfer (EET) mechanisms of <em>Shewanella</em> are summarized and the roles of riboflavin in outward and inward EET are compared. Then, four methods for the enhancement of EET performance are discussed, focusing on riboflavin, intracellular reducing force, biofilm formation and substrate spectrum, respectively. Finally, the applications of <em>Shewanella</em> in the environment are classified, and the restrictions are discussed. Potential solutions and promising prospects for <em>Shewanella</em> are also provided.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 12","pages":" 1863-1877"},"PeriodicalIF":5.5,"publicationDate":"2023-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41090199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Including the bioconcentration of pesticide metabolites in plant uptake modeling†","authors":"Zijian Li and Peter Fantke","doi":"10.1039/D3EM00266G","DOIUrl":"10.1039/D3EM00266G","url":null,"abstract":"<p >Although several models of pesticide uptake into plants are available, there are few modeling studies on the bioconcentration of metabolites in plants. Ignoring metabolites in plant uptake models can result in an underestimation of the parent compound's overall impacts on human health associated with pesticide residues in harvested food crops. To address this limitation, we offer a metabolite-based plant uptake model to predict the bioconcentration of the parent compound and its metabolites in plants. We used the uptake of glyphosate and its major metabolite (aminomethylphosphonic acid, AMPA) into potato as an example. The analysis of variability revealed that soil properties (affecting the soil sorption coefficient), dissipation half-life in soil, and metabolic half-life in the potato had a significant impact on the simulated AMPA concentration in the potato, indicating that regional variability could be generated in the plant bioconcentration process of metabolites. The proposed model was further compared using the non-metabolite model. The findings of the comparison suggested that the non-metabolite model, which is integrated with the AMPA bioconcentration process, can predict the AMPA concentration in the potato similarly to the proposed model. In conclusion, we provide insight into the bioconcentration process of metabolites in tuber plants from a modeling viewpoint, with some crucial model inputs, such as biotransformation and metabolic rate constants, requiring confirmation in future studies. The modeling demonstration emphasizes that it is relevant to consider bioaccumulation of metabolites, which can propagate further into increased overall residues of harmful compounds, especially in cases where metabolites have higher toxicity effect potency than their respective parent compounds.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1708-1717"},"PeriodicalIF":5.5,"publicationDate":"2023-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/em/d3em00266g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41092092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical characterization of microplastic particles formed in airborne waste discharged from sewer pipe repairs†","authors":"Brianna N. Peterson, Ana C. Morales, Jay M. Tomlin, Carrie G. W. Gorman, Peter E. Christ, Steven A. L. Sharpe, Shelby M. Huston, Felipe A. Rivera-Adorno, Brian T. O'Callahan, Matthew Fraund, Yoorae Noh, Pritee Pahari, Andrew J. Whelton, Patrick Z. El-Khoury, Ryan C. Moffet, Alla Zelenyuk and Alexander Laskin","doi":"10.1039/D3EM00193H","DOIUrl":"10.1039/D3EM00193H","url":null,"abstract":"<p >Microplastic particles are of increasing environmental concern due to the widespread uncontrolled degradation of various commercial products made of plastic and their associated waste disposal. Recently, common technology used to repair sewer pipes was reported as one of the emission sources of airborne microplastics in urban areas. This research presents results of the multi-modal comprehensive chemical characterization of the microplastic particles related to waste discharged in the pipe repair process and compares particle composition with the components of uncured resin and cured plastic composite used in the process. Analysis of these materials employs complementary use of surface-enhanced Raman spectroscopy, scanning transmission X-ray spectro-microscopy, single particle mass spectrometry, and direct analysis in real-time high-resolution mass spectrometry. It is shown that the composition of the relatively large (100 μm) microplastic particles resembles components of plastic material used in the process. In contrast, the composition of the smaller (micrometer and sub-micrometer) particles is significantly different, suggesting their formation from unintended polymerization of water-soluble components occurring in drying droplets of the air-discharged waste. In addition, resin material type influences the composition of released microplastic particles. Results are further discussed to guide the detection and advanced characterization of airborne microplastics in future field and laboratory studies pertaining to sewer pipe repair technology.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1718-1731"},"PeriodicalIF":5.5,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41092091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Autoxidation of glycols used in inhalable daily products: implications for the use of artificial fogs and e-cigarettes†","authors":"Xinyang Guo, Ya-Chun Chan, Tania Gautam and Ran Zhao","doi":"10.1039/D3EM00214D","DOIUrl":"10.1039/D3EM00214D","url":null,"abstract":"<p >The use of glycols is seen in various industries and occupations. In the past few decades, the health implications of inhalable glycols have gained public attention. Inhalable glycols may cause adverse health effects, especially for workers in occupations receiving frequent exposure and consumers of glycol-based daily products. Our previous work highlighted the rapid accumulation of formaldehyde and glycolaldehyde in fog juice, thus proposing the occurrence of glycol autoxidation. However, the fundamentals of glycol autoxidation remained unclear and unexplored. Our goal is to investigate the autoxidation of common glycols during indoor storage. Carbonyls were quantified using liquid chromatography-mass spectrometry (LC-MS), and peroxides from autoxidation were monitored <em>via</em> iodometry and UV-Vis spectrometry. The impact of certain factors such as the water mixing ratio and antioxidants (vitamin C) was also investigated. Formation of aldehydes in many glycols was weekly monitored, such as e-cigarette juice and triethylene glycol (TEG). Occurrence of autoxidation was confirmed by the increase in the total peroxide concentration. Additionally, we highlighted the dependence of the carbonyl formation rate on the TEG–water mixing ratio, demonstrating the complex role of water in glycol autoxidation. We have also tested the effectiveness of vitamin C and made suggestions for minimizing the formation of toxic carbonyls in consumer products.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1657-1669"},"PeriodicalIF":5.5,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41090734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Formation and sedimentation of oil–mineral aggregates in the presence of chemical dispersant","authors":"Wenxin Li, Zhixin Qi, Deqi Xiong, Yifei Wu, Wei Wang, Yajing Qi and Jian Guo","doi":"10.1039/D3EM00327B","DOIUrl":"10.1039/D3EM00327B","url":null,"abstract":"<p >The formation and sedimentation of oil–mineral aggregates (OMAs) is the major method to transport spilled oil to the seafloor. In this study, the formation and sedimentation experiments of OMA using montmorillonite and four crude oils were performed in a wave tank in the presence of chemical dispersant. Most of the formed OMAs were droplet OMAs, and single droplet OMA would aggregate into multiple ones under the action of the dispersant. The size of the oil droplets trapped in the OMA increased with time and was larger for the oil with higher viscosity. The sinking velocities of OMAs formed in this study were between 100–1200 μm s<small>⁻¹</small> and they were positively correlated with their diameter. The density of OMA was of the same order as that of the crude oil that formed them. An increase in the dispersant dosage could promote the formation of OMAs. The oil content in OMAs was higher for the denser oil in the presence of a dispersant. The maximum oil trapping efficiency of OMAs was 48.05%. This study provides fundamental data on the formation kinetics of OMAs.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 12","pages":" 1937-1944"},"PeriodicalIF":5.5,"publicationDate":"2023-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41089952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Kinetics of hypochlorous acid reactions with organic and chloride-containing tropospheric aerosol†","authors":"Spiro D. Jorga, Tengyu Liu, Yutong Wang, Sumaiya Hassan, Han Huynh and Jonathan P. D. Abbatt","doi":"10.1039/D3EM00292F","DOIUrl":"10.1039/D3EM00292F","url":null,"abstract":"<p >Chlorine plays an important role in tropospheric oxidation processes, in both marine and continental environments. Although modeling studies have explored the importance of halogen chemistry, uncertainty remains in associated chemical mechanisms and fundamental kinetics parameters. Prior kinetics measurements of multiphase halogen recycling reactions have been largely performed with dilute, bulk solutions, leaving unexplored more realistic chemical systems which have high solute concentrations and are internally mixed with both halide and organic components. Here, we address the multiphase kinetics of gaseous HOCl using an aerosol flow tube and aerosol mass spectrometer to study its reactions with particulate chloride, using atmospherically relevant particle acidity, solute concentrations, and ionic strength. We also investigate the chemistry that results when biomass burning (BB) aerosol components and chloride are internally mixed. Using pH-buffered deliquesced particles, we show that the rate constant for reaction of dissolved HOCl with H<small>⁺</small> and Cl<small>⁻</small> at high relative humidity (RH) (80–85%) is within a factor of two of the literature value for bulk phase conditions. However, at lower RH values (60–70%) where the particles are considerably more concentrated, the rate constant for chloride loss from the particles is an order of magnitude higher. For pure organic compounds commonly found in biomass burning (BB) aerosol, such as coniferaldehyde, salicylic acid and furfural, an increase in the aerosol chlorine content occurs with HOCl exposure, indicating the formation of organochlorine species. Together, these independent findings explain results for internally mixed aerosol particles with both chloride and BB components present where we observed behavior consistent with both chloride loss and organochlorine formation occurring simultaneously upon HOCl exposure. Our results indicate that chlorine recycling <em>via</em> HOCl uptake by chloride-containing particles will occur in the atmosphere efficiently over a wide range of RH conditions, even when reactive organic compounds are present in the same particles as chloride. Simultaneously, formation of organochlorine compounds, which are commonly toxic, is likely occurring when reactive organic components are present.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1645-1656"},"PeriodicalIF":5.5,"publicationDate":"2023-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10287122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Limitations of conventional approaches to identify photochemically produced reactive intermediates involved in contaminant indirect photodegradation†","authors":"Reid P. Milstead, Stephanie M. Berg, Bella M. Kelly, Christian D. Knellwolf, Cooper J. Larson, Kristine H. Wammer and Christina K. Remucal","doi":"10.1039/D3EM00304C","DOIUrl":"10.1039/D3EM00304C","url":null,"abstract":"<p >Dissolved organic matter (DOM) mediated indirect photodegradation can play an important role in the degradation of aquatic contaminants. Predicting the rate of this process requires knowledge of the photochemically produced reactive intermediates (PPRI) that react with the compound of interest, as well as the ability of individual DOM samples to produce PPRI. Key PPRI are typically identified using quencher studies, yet this approach often leads to results that are difficult to interpret. In this work, we analyze the indirect photodegradation of atorvastatin, carbamazepine, sulfadiazine, and benzotriazole using a diverse set of 48 waters from natural and engineered aquatic systems. We use this large data set to evaluate relationships between PPRI formation and indirect photodegradation rate constants, which are directly compared to results using standard quenching experiments. These data demonstrate that triplet state DOM (<small>³</small>DOM) and singlet oxygen (<small>¹</small>O<small>₂</small>) are critical PPRI for atorvastatin, carbamazepine, and sulfadiazine, while hydroxyl radical (˙OH) contributes to the indirect photodegradation of benzotriazole. We caution against relying on quenching studies because quenching of <small>³</small>DOM limits the formation of <small>¹</small>O<small>₂</small> and all studied quenchers react with ˙OH. Furthermore, we show that DOM composition directly influences indirect photodegradation and that low molecular weight, microbial-like DOM is positively correlated with the indirect photodegradation rates of carbamazepine, sulfadiazine, and benzotriazole.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1694-1707"},"PeriodicalIF":5.5,"publicationDate":"2023-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41092720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Read-across-based intelligent learning: development of a global q-RASAR model for the efficient quantitative predictions of skin sensitization potential of diverse organic chemicals†","authors":"Arkaprava Banerjee and Kunal Roy","doi":"10.1039/D3EM00322A","DOIUrl":"10.1039/D3EM00322A","url":null,"abstract":"<p >Environmental chemicals and contaminants cause a wide array of harmful implications to terrestrial and aquatic life which ranges from skin sensitization to acute oral toxicity. The current study aims to assess the quantitative skin sensitization potential of a large set of industrial and environmental chemicals acting through different mechanisms using the novel quantitative Read-Across Structure–Activity Relationship (q-RASAR) approach. Based on the identified important set of structural and physicochemical features, Read-Across-based hyperparameters were optimized using the training set compounds followed by the calculation of similarity and error-based RASAR descriptors. Data fusion, further feature selection, and removal of prediction confidence outliers were performed to generate a partial least squares (PLS) q-RASAR model, followed by the application of various Machine Learning (ML) tools to check the quality of predictions. The PLS model was found to be the best among different models. A simple user-friendly Java-based software tool was developed based on the PLS model, which efficiently predicts the toxicity value(s) of query compound(s) along with their status of Applicability Domain (AD) in terms of leverage values. This model has been developed using structurally diverse compounds and is expected to predict efficiently and quantitatively the skin sensitization potential of environmental chemicals to estimate their occupational and health hazards.</p>","PeriodicalId":74,"journal":{"name":"Environmental Science: Processes & Impacts","volume":" 10","pages":" 1626-1644"},"PeriodicalIF":5.5,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10173946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}