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Domestic groundwater wells in Appalachia show evidence of low-dose, complex mixtures of legacy pollutants. 阿巴拉契亚地区的家用地下水井显示了低剂量、复杂的遗留污染物混合物。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-06 DOI: 10.1039/d4em00364k
Nicolette A Bugher, Boya Xiong, Runako I Gentles, Lukas D Glist, Helen G Siegel, Nicholaus P Johnson, Cassandra J Clark, Nicole C Deziel, James E Saiers, Desiree L Plata

Lack of water quality data for private drinking water sources prevents robust evaluation of exposure risk for communities co-located with historically contaminated sites and ongoing industrial activity. Areas of the Appalachian region of the United States (i.e., Pennsylvania, Ohio and West Virginia) contain extensive hydraulic fracturing activity, as well as other extractive and industrial technologies, in close proximity to communities reliant on private drinking water sources, creating concern over potential groundwater contamination. In this study, we characterized volatile organic compound (VOC) occurrence at 307 private groundwater well sites within Pennsylvania, Ohio, and West Virginia. The majority (97%) of water samples contained at least one VOC, while the average number of VOCs detected at a given site was 5 ± 3. The majority of individual VOC concentrations fell below applicable U.S. Environmental Protection Agency (EPA) Maximum Contamination Levels (MCLs), except for chloroform (MCL of 80 μg L-1; n = 1 at 98 μg L-1), 1,2-dibromoethane (MCL of 0.05 μg L-1; n = 3 ranging from 0.05 to 0.35 μg L-1), and 1,2-dibromo-3-chloropropane (MCL of 0.2 μg L-1; n = 7 ranging from 0.20 to 0.58 μg L-1). To evaluate well susceptibility to VOCs from industrial activity, distance to hydraulic fracturing site was used to assess correlations with contaminant occurrences. Proximity to closest hydraulic fracturing well-site revealed no statistically significant linear relationships with either individual VOC concentrations, or frequency of VOC detections. Evaluation of other known industrial contamination sites (e.g., US EPA Superfund sites) revealed elevated levels of three VOCs (chloroform, toluene, benzene) in groundwaters within 10 km of those Superfund sites in West Virginia and Ohio, illuminating possible point source influence. Lack of correlation between VOC concentrations and proximity to specific point sources indicates complex geochemical processes governing trace VOC contamination of private drinking water sources. While individual concentrations of VOCs fell well below recommended human health levels, the low dose exposure to multiple VOCs occurring in drinking supplies for Appalachian communities was noted, highlighting the importance of groundwater well monitoring.

由于缺乏私人饮用水源的水质数据,因此无法对与历史上的污染场地和正在进行的工业活动同处一地的社区的暴露风险进行可靠的评估。美国阿巴拉契亚地区(即宾夕法尼亚州、俄亥俄州和西弗吉尼亚州)有大量的水力压裂活动以及其他采掘和工业技术,这些活动都靠近依赖私人饮用水源的社区,从而引发了对潜在地下水污染的担忧。在这项研究中,我们对宾夕法尼亚州、俄亥俄州和西弗吉尼亚州的 307 个私人地下水井点的挥发性有机化合物 (VOC) 发生情况进行了描述。大多数(97%)水样至少含有一种挥发性有机化合物,而在特定地点检测到的挥发性有机化合物的平均数量为 5 ± 3。环境保护局 (EPA) 的最高污染水平 (MCL),但氯仿(MCL 为 80 μg L-1;n = 1 为 98 μg L-1)、1,2-二溴乙烷(MCL 为 0.05 μg L-1;n = 3,范围从 0.05 到 0.35 μg L-1),以及 1,2-二溴-3-氯丙烷(MCL 为 0.2 μg L-1;n = 7,范围从 0.20 到 0.58 μg L-1)。为了评估油井对工业活动产生的挥发性有机化合物的易感性,采用了与水力压裂现场的距离来评估污染物发生的相关性。结果表明,与最近的水力压裂井场的距离与单个挥发性有机化合物的浓度或挥发性有机化合物的检测频率均无统计学意义上的线性关系。对其他已知工业污染场地(如美国环保局超级基金场地)的评估显示,在西弗吉尼亚州和俄亥俄州超级基金场地 10 公里范围内的地下水中,三种挥发性有机化合物(氯仿、甲苯、苯)的浓度升高,这说明可能存在点源影响。挥发性有机化合物的浓度与特定点源的邻近程度之间缺乏相关性,这表明对私人饮用水源的痕量挥发性有机化合物污染具有复杂的地球化学过程。虽然挥发性有机化合物的单个浓度远低于建议的人体健康水平,但阿巴拉契亚社区饮用水供应中出现的多种挥发性有机化合物的低剂量暴露,突出了地下水井监测的重要性。
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引用次数: 0
Leachability of per- and poly-fluoroalkyl substances from contaminated concrete. 受污染混凝土中的全氟烷基和多氟烷基物质的浸出性。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-05 DOI: 10.1039/d4em00482e
Prashant Srivastava, Grant Douglas, Greg B Davis, Rai S Kookana, Canh Tien Trinh Nguyen, Mike Williams, Karl Bowles, Jason K Kirby

The historical use and storage of aqueous film-forming foams (AFFF) containing per- and poly-fluoroalkyl substances (PFAS) at a range of sites including airports, defence, and port facilities have resulted in a legacy of contaminated infrastructure such as concrete. Contaminated concrete constitutes an ongoing source of PFAS contamination requiring management to ensure the protection of human health and the environment. In this study, modified Leaching Environmental Assessment Framework (LEAF) and Australian Standard Leaching Procedure (ASLP) were used to examine the leachability of PFAS, specifically, perfluorooctanesulfonate (PFOS), perfluorooctanoic acid (PFOA), perfluorohexanesulfonate (PFHxS) and perfluorohexanoic acid (PFHxA) from AFFF-contaminated concrete collected from an Australian Defence Fire Training Area (FTA). In general, PFAS readily leached from intact contaminated concrete monoliths with the cumulative proportion (%) decreasing in the order: PFHxA (>95%) > PFOS (26-84%) ≈ PFHxS (14-78%) > PFOA (<1-54%). Higher leachability for PFHxA from concrete is consistent with previous findings for solids, however, inconsistent for PFOA with higher retention (lower leachability) in concrete as compared to PFOS. Duration of exposure to water (0.5-48 h) and temperature (25 °C and 50 °C) had little influence on the proportion of PFAS leachability from powdered concrete. A higher proportion of PFAS leached from a <2 mm concrete powder size fraction as compared to 2-20 mm and 20 mm size fractions. This behavior reflects an increase in surface area with decreasing concrete particle size. Reducing the particle size could enhance PFAS removal from waste concrete.

历史上,在机场、国防和港口设施等一系列场所使用和储存含有全氟和多氟烷基物质 (PFAS) 的水成膜泡沫 (AFFF),导致混凝土等基础设施受到污染。受污染的混凝土是 PFAS 的一个持续污染源,需要对其进行管理,以确保对人类健康和环境的保护。在这项研究中,使用了修改后的浸出环境评估框架(LEAF)和澳大利亚标准浸出程序(ASLP)来检测 PFAS 的浸出性,特别是从澳大利亚国防消防训练区(FTA)收集的受 AFFF 污染的混凝土中检测全氟辛烷磺酸 (PFOS)、全氟辛酸 (PFOA)、全氟己烷磺酸 (PFHxS) 和全氟己酸 (PFHxA)。一般来说,PFAS 很容易从完整的受污染混凝土整体中析出,累积比例(%)依次递减:PFHxA (>95%) > PFOS (26-84%) ≈ PFHxS (14-78%) > PFOA (
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引用次数: 0
Systematic characterization of selenium speciation in coal fly ash. 粉煤灰中硒含量的系统表征。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-05 DOI: 10.1039/d4em00398e
Estefania Garcia, Pan Liu, Sharon E Bone, Yinghao Wen, Yuanzhi Tang

Millions of tons of coal fly ashes (CFAs) are produced annually during coal combustion in the U.S., which are commonly beneficially used in the concrete industry or disposed of in ash ponds. CFAs contain trace amounts of a range of toxic heavy metals including selenium (Se). Because the toxicity of Se is dependent on its speciation, investigating Se speciation in CFAs as affected by coal source and combustion conditions can help understand the related environmental and human health impacts during disposal or beneficial reuse. In this study, a set of representative CFA samples were characterized for Se speciation using synchrotron X-ray absorption spectroscopy (XAS) and micro-X-ray fluorescence spectromicroscopy (μ-XRF/XAS). Se-containing particles were highly heterogeneous, and individual particles might contain multiple oxidation states including Se(0), Se(IV), and Se(VI). Principal component analysis was performed for sample characteristics including Al2O3, SiO2, CaO, FeO, loss on ignition, average particle size, Se concentration, and Se oxidation state. Selective catalytic reduction (SCR), which is used to limit nitrogen oxide (NOx) emissions during coal combustion, was found to be associated with the presence of reduced Se oxidation states, with up to 90% Se(0) observed in samples with SCR. Alongside SCR, FeO content may also influence Se speciation.

美国每年在燃煤过程中会产生数百万吨煤飞灰(CFA),这些煤飞灰通常被用于混凝土行业或在灰池中进行处置。煤飞灰中含有微量的有毒重金属,包括硒(Se)。由于硒的毒性取决于其种类,因此调查 CFAs 中受煤源和燃烧条件影响的硒种类有助于了解在处置或有益再利用过程中对环境和人类健康的相关影响。本研究利用同步辐射 X 射线吸收光谱(XAS)和显微 X 射线荧光光谱(μ-XRF/XAS)对一组具有代表性的 CFA 样品进行了硒的标示。含Se颗粒具有高度异质性,单个颗粒可能含有多种氧化态,包括Se(0)、Se(IV)和Se(VI)。对样品特征进行了主成分分析,包括 Al2O3、SiO2、CaO、FeO、着火损耗、平均粒度、Se 浓度和 Se 氧化态。研究发现,选择性催化还原(SCR)用于限制煤炭燃烧过程中氮氧化物(NOx)的排放,与硒氧化态降低有关,在采用 SCR 的样品中,硒(0)的含量高达 90%。除 SCR 外,氧化铁含量也可能影响硒的标示。
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引用次数: 0
Emerging investigator series: open dumping and burning: an overlooked source of terrestrial microplastics in underserved communities. 新晋调查员系列:露天倾倒和焚烧:服务不足社区中被忽视的陆地微塑料来源。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-04 DOI: 10.1039/d4em00439f
Kendra Z Hess, Kyle R Forsythe, Xuewen Wang, Andrea Arredondo-Navarro, Gwen Tipling, Jesse Jones, Melissa Mata, Victoria Hughes, Christine Martin, John Doyle, Justin Scott, Matteo Minghetti, Andrea Jilling, José M Cerrato, Eliane El Hayek, Jorge Gonzalez-Estrella

Open dumping and burning of solid waste are widely practiced in underserved communities lacking access to solid waste management facilities; however, the generation of microplastics from these sites has been overlooked. We report elevated concentrations of microplastics (MPs) in soil of three solid waste open dump and burn sites: a single-family site in Tuttle, Oklahoma, USA, and two community-wide sites in Crow Agency and Lodge Grass, Montana, USA. We extracted, quantified, and characterized MPs from two soil depths (0-9 cm and 9-18 cm). The average of abundance of particles found at community-wide sites three sites (18, 460 particles kg-1 soil) equals or exceeds reported concentrations from currently understood sources of MPs including biosolids application and other agricultural practices. Attenuated total reflectance Fourier transformed infrared (ATR-FTIR) identified polyethylene as the dominant polymer across all sites (46.2-84.8%). We also detected rayon (≤11.5%), polystyrene (up to 11.5%), polyethylene terephthalate (≤5.1), polyvinyl chloride (≤4.4%), polyester (≤3.1), and acrylic (≤2.2%). Burned MPs accounted for 76.3 to 96.9% of the MPs found in both community wide dumping sites. These results indicate that solid waste dumping and burning activities are a major source of thermally oxidized MPs for the surrounding terrestrial environment with potential to negatively affect underserved communities.

露天倾倒和焚烧固体废物的做法在缺乏固体废物管理设施、服务不足的社区非常普遍;然而,这些场所产生的微塑料却一直被忽视。我们报告了三个固体废弃物露天倾倒和焚烧点土壤中微塑料(MPs)浓度升高的情况:一个位于美国俄克拉荷马州塔特尔的单户住宅区,以及位于美国蒙大拿州克罗机构和洛奇草地的两个社区范围内的场地。我们从两个土壤深度(0-9 厘米和 9-18 厘米)提取、量化和表征了 MPs。在整个社区的三个地点发现的颗粒丰度平均值(18,460 颗粒 kg-1 土壤)等于或超过了目前已知的 MPs 来源(包括生物固体的施用和其他农业实践)的报告浓度。衰减全反射傅立叶变换红外光谱(ATR-FTIR)确定聚乙烯是所有地点的主要聚合物(46.2-84.8%)。我们还检测到人造丝(≤11.5%)、聚苯乙烯(高达 11.5%)、聚对苯二甲酸乙二酯(≤5.1)、聚氯乙烯(≤4.4%)、聚酯(≤3.1)和丙烯酸(≤2.2%)。在两个社区范围内的倾倒地点发现的多孔塑料中,焚烧过的多孔塑料占 76.3% 至 96.9%。这些结果表明,固体废物倾倒和焚烧活动是周围陆地环境中热氧化多金属化合物的主要来源,有可能对服务不足的社区产生负面影响。
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引用次数: 0
How do ecosystem service functions affect ecological health? Evidence from the Yangtze River Economic Belt in China. 生态系统服务功能如何影响生态健康?来自中国长江经济带的证据。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1039/d4em00296b
Wei Wang, Jun Yang, Guishan Yang, Chao Wu, Jie Yu

Ecosystem services play an essential role as intermediaries, linking natural ecosystem resources to socio-economic demands. Understanding their impact on ecological well-being is pivotal for ensuring regional environmental security and promoting sustainable societal and economic development. However, there is insufficient research on the relationship between the two. Accordingly, this study explores the evolutionary relationship between ecological health and ecosystem services by constructing an evaluation system. Regression analysis is used to explore the spatial relationship between ecosystem services and ecological health, providing a reference for maintaining the balance between ecological supply and ecological health. The results show that from 1980 to 2020, an overall improvement was observed in the eco-health index of the Yangtze River Economic Belt's. This improvement was notably marked by substantial growth in the eco-vitality index alongside consistent maintenance of the spatial distribution within the eco-organization index. With regard to distributions of specific ecosystem services, dispersed occurrences characterized areas with high water production and crop yield levels; however, within forested regions, attributes for habitat quality preservation, water purification, soil retention and carbon sequestration were predominant. In the impact of ecosystem services on ecological health, food production held sway over less-developed areas, while soil conservation, water supply and habitat quality exerted greater influence over more-developed regions. This study regards ecosystem services as a bridge connecting humans and the environment not only providing a material basis for society but also reflecting the status of ecological health.

生态系统服务发挥着重要的中介作用,将自然生态系统资源与社会经济需求联系起来。了解生态系统服务对生态福祉的影响对于确保区域环境安全、促进社会和经济的可持续发展至关重要。然而,目前对二者之间关系的研究尚不充分。因此,本研究通过构建一个评价体系来探索生态健康与生态系统服务之间的演变关系。通过回归分析,探讨生态系统服务与生态健康之间的空间关系,为维持生态供给与生态健康之间的平衡提供参考。结果表明,从 1980 年到 2020 年,长江经济带的生态健康指数出现了整体改善。这种改善的显著特点是生态活力指数的大幅增长和生态组织指数空间分布的持续保持。在具体生态系统服务的分布方面,高产水量和高作物产量地区的分布较为分散;而在森林地区,生境质量保护、水质净化、土壤保持和碳封存属性则占主导地位。在生态系统服务对生态健康的影响方面,粮食生产在欠发达地区占据主导地位,而土壤保持、水供应和栖息地质量则对较发达地区产生更大影响。本研究认为,生态系统服务是连接人类与环境的桥梁,不仅为社会提供物质基础,也反映了生态健康状况。
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引用次数: 0
Quantitative read-across structure-property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms. 定量读取-交叉结构-属性关系(q-RASPR):一种估算不同类别工业化学品在水生生物体内生物累积潜力的新方法。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1039/d4em00374h
Prodipta Bhattacharyya, Pabitra Samanta, Ankur Kumar, Shubha Das, Probir Kumar Ojha

The Bioconcentration Factor (BCF) is used to evaluate the bioaccumulation potential of chemical substances in reference organisms, and it directly correlates with ecotoxicity. Traditional in vivo BCF estimation methods are costly, time-consuming, and involve animal sacrifice. Many in silico technologies are used to avoid the problems associated with in vivo testing. This study aims to develop a quantitative read across structure-property relationship (q-RASPR) model using a structurally diverse dataset consisting of 1303 compounds by combining quantitative structure-property relationship (QSPR) and read-across (RA) algorithms. The model incorporates simple, interpretable, and reproducible 2D molecular descriptors along with RASAR descriptors. The PLS-based q-RASPR model demonstrated robust performance with internal validation metrics (R2 = 0.727 and Q2(LOO) = 0.723) and external validation metrics (Q2F1 = 0.739, Q2F2 = 0.739, and CCC = 0.858). These results indicate that the q-RASPR model is statistically superior to the corresponding QSPR model. Furthermore, screening of 1694 compounds from the Pesticide Properties Database (PPDB) was performed using the PLS-based q-RASPR model for assessing the eco-toxicological bioaccumulative potential of various compounds, ensuring the external predictability of the developed model and confirming the real-world application of the developed model. This model offers a reliable tool for predicting the BCF of new or untested compounds, thereby helping to develop safe and environment-friendly chemicals.

生物富集系数(BCF)用于评估化学物质在参照生物体内的生物累积潜力,它与生态毒性直接相关。传统的体内生物富集系数估算方法成本高、耗时长,而且需要牺牲动物。为了避免与体内测试相关的问题,人们采用了许多硅学技术。本研究旨在利用由 1303 种化合物组成的结构多样化数据集,结合定量结构-性质关系(QSPR)和横向读取(RA)算法,开发一种定量横向读取结构-性质关系(q-RASPR)模型。该模型结合了简单、可解释、可重复的二维分子描述符和 RASAR 描述符。基于 PLS 的 q-RASPR 模型在内部验证指标(R2 = 0.727 和 Q2(LOO) = 0.723)和外部验证指标(Q2F1 = 0.739、Q2F2 = 0.739 和 CCC = 0.858)上都表现出稳健的性能。这些结果表明,q-RASPR 模型在统计学上优于相应的 QSPR 模型。此外,利用基于 PLS 的 q-RASPR 模型对农药特性数据库(PPDB)中的 1694 种化合物进行了筛选,以评估各种化合物的生态毒理学生物累积潜力,从而确保了所开发模型的外部可预测性,并证实了所开发模型在现实世界中的应用。该模型为预测新化合物或未测试化合物的生物累积系数提供了可靠的工具,从而有助于开发安全、环保的化学品。
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引用次数: 0
Polyethylene microplastics affect behavioural, oxidative stress, and molecular responses in the Drosophila model. 聚乙烯微塑料影响果蝇模型的行为、氧化应激和分子反应。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1039/d4em00537f
Himanshu Ranjan, Swetha Senthil Kumar, Sharine Priscilla, Subhashini Swaminathan, Masakazu Umezawa, Sahabudeen Sheik Mohideen

The escalating presence of microplastic pollution poses a significant environmental threat, with far-reaching implications for both ecosystems and human health. This study investigated the toxicological impact of polyethylene microplastics (PE MPs) using Drosophila melanogaster, fruit flies, as a model organism. Drosophila were exposed to PE MPs orally at concentrations of 1 mg ml-1 and 10 mg ml-1 agar food. The study assessed behavioural parameters and biochemical markers including reactive oxygen species (ROS), superoxide dismutase (SOD), and glutathione-S-transferase (GST) activity. The expression levels of key genes (Hsp70Bc, rpr, and p53) were also analysed using the RT-qPCR technique. Results indicated a significant decline in climbing activity among adult flies and crawling behaviour in larvae, indicating potential disruption of motor function. Biochemical analysis revealed elevated ROS levels, indicative of oxidative stress, in both larval and fly stages. Moreover, the antioxidant defence system exhibited decreased SOD activity and a concentration-dependent increase in GST activity indicating the functioning of a quick xenobiotic clearance mechanism. Gene expression analysis demonstrated upregulation of rpr, p53, and Hsp70Bc genes, suggesting activation of cell death pathways and stress response mechanisms. Overall, these findings underline the adverse effects of PE MPs on Drosophila, including behavioural impairment, oxidative stress, and activation of stress response pathways.

微塑料污染的不断加剧对环境构成了严重威胁,对生态系统和人类健康都有深远影响。本研究以黑腹果蝇为模式生物,研究了聚乙烯微塑料(PE MPs)的毒理学影响。果蝇口服暴露于浓度为 1 毫克毫升-1 和 10 毫克毫升-1 的琼脂食物中的聚乙烯微塑料。研究评估了行为参数和生化指标,包括活性氧(ROS)、超氧化物歧化酶(SOD)和谷胱甘肽-S-转移酶(GST)活性。此外,还利用 RT-qPCR 技术分析了关键基因(Hsp70Bc、rpr 和 p53)的表达水平。结果表明,成蝇的攀爬活动和幼虫的爬行行为明显下降,表明运动功能可能受到破坏。生化分析表明,幼虫和苍蝇阶段的 ROS 水平升高,表明存在氧化应激。此外,抗氧化防御系统显示 SOD 活性降低,而 GST 活性随浓度增加,这表明异生物快速清除机制正在发挥作用。基因表达分析表明 rpr、p53 和 Hsp70Bc 基因上调,表明细胞死亡途径和应激反应机制被激活。总之,这些发现强调了 PE MPs 对果蝇的不利影响,包括行为障碍、氧化应激和应激反应途径的激活。
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引用次数: 0
Commercial kitchen operations produce a diverse range of gas-phase reactive nitrogen species. 商业厨房操作会产生多种气相活性氮。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1039/d4em00491d
Leigh R Crilley, Jenna C Ditto, Melodie Lao, Zilin Zhou, Jonathan P D Abbatt, Arthur W H Chan, Trevor C VandenBoer

Gas-phase reactive nitrogen species (Nr) are important drivers of indoor air quality. Cooking and cleaning are significant direct sources indoors, whose emissions will vary depending on activity and materials used. Commercial kitchens experience regular high volumes of both cooking and cleaning, making them ideal study locations for exploring emission factors from these sources. Here, we present a total Nr (tNr) budget and contributions of key species NO, NO2, acidic Nr (primarily HONO) and basic Nr (primarily NH3) using novel instrumentation in a commercial kitchen over a two-week period. In general, highest tNr was observed in the morning and driven compositionally by NO, indicative of cooking events in the kitchen. The observed HONO and basic Nr levels were unexpectedly stable throughout the day, despite the dynamic and high air change rate in the kitchen. After summing the measured NOx, HONO and Nr,base fractions, there was on average 5 ppbv of Nr unaccounted for, expected to be dominated by neutral Nr species. Using co-located measurements from a proton transfer reaction mass spectrometer (PTR-MS), we propose the identities for these major Nr species from cooking and cleaning that contributed to Nr,base and the neutral fraction of tNr. When focused specifically on cooking events in the kitchen, a vast array of N-containing species was observed by the PTR-MS. Reproducibly, oxygenated N-containing class ions (C1-12H3-24O1-4N1-3), consistent with the known formulae of amides, were observed during meat cooking and may be good cooking tracers. During cleaning, an unexpectedly high level of chloramines was observed, with monochloramine dominating the profile, as emitted directly from HOCl based cleaners or through surface reactions with reduced-N species. For many species within the tNr budget, including HONO, acetonitrile and basic Nr species, we observed stable levels day and night despite the high air change rate during the day (>27 h-1). The stable levels for these species point to large surface reservoirs which act as a significant indoor source, that will be transported outdoors with ventilation.

气相活性氮物种(Nr)是影响室内空气质量的重要因素。烹饪和清洁是室内的重要直接来源,其排放量会因活动和使用的材料而异。商业厨房经常会有大量的烹饪和清洁活动,因此是探索这些来源的排放因子的理想研究场所。在此,我们使用新型仪器对商业厨房进行了为期两周的检测,得出了总氮氧化物(tNr)预算以及主要物种一氧化氮(NO)、二氧化氮(NO2)、酸性氮氧化物(主要是 HONO)和碱性氮氧化物(主要是 NH3)的贡献。一般来说,在上午观测到的 tNr 最高,由氮氧化物(NO)驱动,表明厨房里有烹饪活动。尽管厨房内的空气变化率很高,但全天观测到的 HONO 和基本 Nr 水平却出乎意料地稳定。将测量到的 NOx、HONO 和 Nr、碱组分相加后,平均有 5 ppbv 的 Nr 未被计算在内,预计主要是中性 Nr 物种。利用质子转移反应质谱仪(PTR-MS)的同位测量,我们提出了烹饪和清洁过程中产生的这些主要 Nr 物种的特性,这些 Nr 物种对 Nr 碱和 tNr 的中性部分有贡献。当特别关注厨房中的烹饪活动时,PTR-MS 观察到了大量含氮物质。在肉类烹饪过程中,可重复观察到含氧 N 类离子(C1-12H3-24O1-4N1-3),与已知的酰胺分子式一致,可能是很好的烹饪示踪剂。在清洁过程中,观察到氯胺的含量出乎意料地高,其中一氯胺占主导地位,它直接从基于 HOCl 的清洁剂中释放出来,或通过与还原 N 物种的表面反应释放出来。对于 tNr 预算中的许多物种,包括 HONO、乙腈和碱性 Nr 物种,尽管白天的换气率很高(>27 h-1),但我们还是观测到了日夜稳定的水平。这些物种的稳定水平表明,有大量的地表储层是重要的室内源,它们会随着通风被带到室外。
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引用次数: 0
The gas phase ozonolysis and secondary OH production of cashmeran, a musk compound from fragrant volatile chemical products. 从芳香挥发性化学产品中气相臭氧分解和二次羟基生成麝香化合物开士美兰。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-31 DOI: 10.1039/d4em00452c
Ayomide A Akande, Nadine Borduas-Dedekind

Fragrant personal care products are a subset of volatile chemical products (VCPs), an emerging source of outdoor pollutants capable of impacting air quality. Fragrant molecules, such as musks, are used in perfumes and have been found in aquatic organisms, water bodies, indoor air, and urban environments. Considering the distribution of musk-smelling compounds, there is a need to constrain their atmospheric fate indoors and outdoors. Here, we used a Vocus proton-transfer-reaction time-of-flight mass spectrometer to quantify the atmospheric oxidative fate of cashmeran, a bicyclic musk compound, detected in a commercial perfume alongside galaxolide, astratone and rosamusk. Cashmeran concentrations rose up to 0.35 ppbv representing a mass yield of 0.33 ± 0.04% of the perfume. We determined the second order rate constant of the cyclo-addition of O3 with cashmeran to be (2.78 ± 0.31) × 10-19 cm3 molec-1 s-1 at 293 ± 1 K in N2. This rate constant corresponds to an 85 day lifetime against 20 ppbv of O3. Then, we repeated the ozonolysis experiments in air with 20% O2 and measured significant secondary OH concentrations up to 5.1 × 105 molec cm-3. Consequently, the lifetime of cashmeran in our experiment was shortened to 5 h. Thus, the oxidation of fragrant molecules, like cashmeran, could alter the oxidative capacity of indoor air via the production of secondary OH radicals. Furthermore, our results show that cashmeran is long-lived and could serve as a VCP tracer in urban air.

芳香个人护理产品是挥发性化学产品(VCPs)的一个子集,是能够影响空气质量的一种新的室外污染物来源。香水中使用的麝香等芳香分子已在水生生物、水体、室内空气和城市环境中被发现。考虑到麝香气味化合物的分布,有必要对其在室内外的大气归宿进行限制。在这里,我们使用 Vocus 质子转移反应飞行时间质谱仪量化了 Cashmeran(一种双环麝香化合物)在大气中的氧化归宿,Cashmeran 与 galaxolide、astratone 和 rosamusk 一起在一种商用香水中被检测到。开司梅兰的浓度最高可达 0.35 ppbv,占香水的 0.33 ± 0.04%。我们测定了 O3 与开士梅兰环加的二阶速率常数为 (2.78 ± 0.31) × 10-19 cm3 molec-1 s-1,在 N2 中的温度为 293 ± 1 K。这个速率常数对应于 20 ppbv O3 的 85 天寿命。然后,我们在含有 20%O2 的空气中重复了臭氧分解实验,测得的二次 OH 浓度高达 5.1 × 105 摩尔/立方厘米-3。因此,香味分子(如香茅)的氧化作用可通过产生二次羟基自由基来改变室内空气的氧化能力。此外,我们的研究结果表明,开士梅兰的寿命很长,可以作为城市空气中的 VCP 示踪剂。
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引用次数: 0
Degradation of norfloxacin by the synergistic effect of micro-nano bubbles and sodium hypochlorite: kinetics, influencing factors and pathways. 微纳米气泡和次氯酸钠协同作用下诺氟沙星的降解:动力学、影响因素和途径。
IF 4.3 3区 环境科学与生态学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-29 DOI: 10.1039/d4em00490f
Guijuan Li, Yan Cheng, Mengyao Jing, Dan Zhang, Yufei Ma, Shengke Yang

This study thoroughly investigated the degradation of norfloxacin (NOR) under the influence of micro-nanobubbles (MNBs) and sodium hypochlorite (NaClO), focusing on their synergistic effects. The impact of various environmental factors, including NaClO concentration, pH, inorganic anions, and surfactants, on NOR degradation efficiency within the MNBs/NaClO system was systematically assessed. The basic properties of the MNBs/NaClO system and the degradation kinetics of NOR were explored. The degradation products and pathways of NOR were explored to reveal the degradation mechanism of antibiotics in the MNBs/NaClO system by employing density functional theory (DFT) and high-performance liquid chromatography-mass spectrometry (HPLC-MS). The redox potential of the MNBs/NaClO system exhibited significantly superior properties than the single system, with bubble sizes predominantly in the nanoscale. The degradation kinetics of NOR adhered to a pseudo-first-order reaction model, with optimal degradation occurring at a 0.025% NaClO volume concentration. Acidic conditions promoted the degradation of NOR, and alkaline conditions inhibited the degradation of NOR. Inorganic anions PO43-, HCO3-, and CO32- in the water matrix led to strong inhibition of NOR degradation. Cationic surfactants accelerated the degradation process of NOR, while anionic and nonionic surfactants had a consistent inhibitory effect on the degradation of NOR. Based on the degradation behavior, three potential pathways for NOR degradation were proposed: quinolone group transformation, defluorination reaction, piperazine ring cracking and quinolone ring decomposition. This research contributes a novel technical approach for addressing antibiotic pollution and offers a theoretical framework for understanding the fate of antibiotics in the environment.

本研究深入研究了诺氟沙星(NOR)在微纳米气泡(MNBs)和次氯酸钠(NaClO)影响下的降解过程,重点关注它们之间的协同效应。系统评估了各种环境因素(包括 NaClO 浓度、pH 值、无机阴离子和表面活性剂)对 MNBs/NaClO 系统中 NOR 降解效率的影响。探讨了 MNBs/NaClO 系统的基本特性和 NOR 的降解动力学。利用密度泛函理论(DFT)和高效液相色谱-质谱联用技术(HPLC-MS),探索了 NOR 的降解产物和降解途径,从而揭示了抗生素在 MNBs/NaClO 体系中的降解机理。与单一体系相比,MNBs/NaClO 体系的氧化还原电位表现出明显的优越性,气泡尺寸主要在纳米级。NOR 的降解动力学遵循伪一阶反应模型,最佳降解发生在 NaClO 体积浓度为 0.025% 时。酸性条件促进 NOR 的降解,碱性条件抑制 NOR 的降解。水基质中的无机阴离子 PO43-、HCO3- 和 CO32- 强烈抑制了 NOR 的降解。阳离子表面活性剂加速了 NOR 的降解过程,而阴离子和非离子表面活性剂对 NOR 的降解具有一致的抑制作用。根据降解行为,提出了 NOR 降解的三种潜在途径:喹诺酮基团转化、脱氟反应、哌嗪环裂解和喹诺酮环分解。这项研究为解决抗生素污染问题提供了一种新的技术方法,并为了解抗生素在环境中的归宿提供了一个理论框架。
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引用次数: 0
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Environmental Science: Processes & Impacts
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