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Mineral formation explains the high retention efficiency of dissolved reactive phosphorus in a residential stormwater pond† 矿物形成解释了住宅区雨水池塘中溶解性活性磷的高滞留效率
Pub Date : 2024-04-09 DOI: 10.1039/D3VA00267E
Mahyar Shafii, Stephanie Slowinski, Md Abdus Sabur, Alina Arvisais, Yubraj Bhusal, William Withers, Konrad J. Krogstad, Chris T. Parsons and Philippe Van Cappellen

Stormwater ponds (SWPs) alter the export of the macronutrient phosphorus (P) from urban landscapes, hence impacting the trophic state and water quality of downstream aquatic environments. Despite an increasing number of studies reporting P load reduction by SWPs, the mechanisms responsible for P retention remain unclear. We analyzed P chemical speciation and fluxes in the inflow and outflow of a SWP in the Toronto metropolitan area. In addition, we collected sediment cores to determine under what forms P accumulates in the SWP. The resulting P mass balance for the SWP yielded an average annual retention of 62% for total P (TP). Retention efficiencies varied significantly among the various TP fractions, however: 53% for particulate P (PP), 67% for total dissolved P (TDP), 66% for dissolved unreactive P (DUP), and >80% for dissolved reactive P (DRP), with DRP representing the most bioavailable TP fraction. Sequential chemical extractions performed on the sediment cores indicate that, with increasing sediment depth, the concentration of mineral-bound P increases while that of organic P decreases. We therefore attribute the efficient retention of DRP to biosynthesis of P-containing organic compounds followed by their post-depositional degradation and sequestration of the released phosphate ions by in situ precipitation of inorganic phases, primarily calcium (Ca) minerals. The conditions in the SWP are favorable to the formation of common Ca minerals, such as hydroxyapatite and calcite, including near-neutral to moderately alkaline pH values and high dissolved Ca2+ concentrations. In areas where urban runoff does not meet these conditions, interventions that stimulate P-containing mineral formation in SWPs may help reduce the export of DRP, hence, protecting receiving water bodies from eutrophication.

暴雨池塘(SWPs)会改变城市景观中大量营养素磷(P)的输出,从而影响下游水生环境的营养状态和水质。尽管有越来越多的研究报告称污水处理厂减少了磷负荷,但造成磷滞留的机制仍不清楚。我们分析了多伦多大都会地区一个污水处理厂流入和流出水体中的钾化学成分和通量。此外,我们还收集了沉积物岩心,以确定 P 以何种形式在污水处理厂中累积。由此得出的西南部水厂 P 质量平衡结果表明,总 P(TP)的年平均滞留率为 62%。然而,各种 TP 部分的保留效率差异很大:颗粒 P (PP)为 53%,总溶解 P (TDP)为 67%,溶解非活性 P (DUP) 为 66%,溶解活性 P (DRP) 为 80%,其中 DRP 代表生物利用率最高的 TP 部分。对沉积物岩心进行的连续化学萃取表明,随着沉积物深度的增加,矿物结合态磷的浓度增加,而有机态磷的浓度降低。因此,我们将 DRP 的有效保留归因于含 P 有机化合物的生物合成,以及沉积后的降解和无机相(主要是钙(Ca)矿物)的原位沉淀对释放的磷酸盐离子的封存。西南太平洋的条件有利于羟基磷灰石和方解石等常见钙矿物的形成,包括接近中性到中等碱性的 pH 值和高溶解 Ca2+ 浓度。在城市径流不符合这些条件的地区,采取干预措施,促进西南流体中含钾矿物的形成,可能有助于减少 DRP 的输出,从而保护受纳水体免受富营养化的影响。
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引用次数: 0
From waste to precious: recovering and anchoring Au from electronic wastewater onto poly(m-phenylenediamine) membranes for catalytic nitrophenol conversion† 从废物到珍品:在聚间苯二胺膜上回收和锚定电子废水中的金,用于催化硝基苯酚转化
Pub Date : 2024-04-09 DOI: 10.1039/D4VA00010B
Youmei Xu, Yuchao Chen, Mengxia Wang, Yufei Shu, Siyu Cao and Zhongying Wang

Nitrophenol wastewater treatment and extracting and reusing precious metals from electronic wastewater have recently gained considerable attention. In this study, polyaniline-based membranes showcased remarkable gold recovery capability from electronic wastewater, effectively reclaiming 100% of gold on the membrane surface even in the presence of competing metal cations. The prepared Au@PmPD membrane, characterized by its high specific surface area and abundant Au nanoparticles (NPs), demonstrated excellent catalytic activity and stability, maintaining near 100% conversion efficiency in reducing 4-NP to 4-AP in the presence of NaBH4 over extended durations. Compared with the conventional physical mixing method, our in situ formation of the Au@PmPD membrane highlights the superior distribution of Au NPs and active sites for enhanced catalytic efficiency. It eliminates the need for additional steps to load Au NPs onto the membrane, resulting in a more straightforward and efficient process. Overall, this research provides a sustainable approach to repurposing waste into precious resources and offers a promising solution for the efficient treatment of persistent organic pollutants in wastewater, aligning with the principles of a circular economy.

近来,硝基苯酚废水处理以及从电子废水中提取和再利用贵金属受到了广泛关注。在这项研究中,聚苯胺基膜展示了从电子废水中回收金的显著能力,即使在存在竞争性金属阳离子的情况下,也能有效回收膜表面 100% 的金。制备的 Au@PmPD 膜具有高比表面积和丰富的金纳米颗粒 (NPs),表现出卓越的催化活性和稳定性,在 NaBH4 存在下,能在较长时间内保持接近 100% 的转化效率,将 4-NP 还原成 4-AP。与传统的物理混合方法相比,我们在原位形成的 Au@PmPD 膜突出了 Au NPs 和活性位点的良好分布,从而提高了催化效率。它省去了将金氧化物装载到膜上的额外步骤,从而实现了更直接、更高效的工艺。总之,这项研究提供了一种可持续的方法,将废物重新利用为宝贵的资源,并为高效处理废水中的持久性有机污染物提供了一种前景广阔的解决方案,符合循环经济的原则。
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引用次数: 0
Polycyclic aromatic hydrocarbons in silicone wristbands of Uruguayan children: measurement and exposure source exploration† 乌拉圭儿童硅胶腕带中的多环芳烃:测量和暴露源探索
Pub Date : 2024-04-05 DOI: 10.1039/D3VA00364G
Logan S. Running, James R. Olson, Diana S. Aga, Steven C. Travis, Mónica Daleiro, Elena I. Queirolo and Katarzyna Kordas

Polycyclic aromatic hydrocarbons (PAHs) pose health risks to children, potentially resulting in stunted growth, obesity, and cognitive deficits, but lack of reliable and noninvasive means to measure PAHs results in poor understanding of exposure patterns and sources in this vulnerable population. In this study, 24 children aged ∼7 years (9 boys and 15 girls) from Montevideo, Uruguay wore silicone wristbands for 8 days to monitor the exposure of 27 PAHs. Wristbands were extracted using a modified ethyl acetate tandem solid phase extraction clean up and then analyzed via gas chromatography with tandem mass spectrometry. This analysis has reported LODs for 27 PAHs between 0.05 and 3.91 μg L−1. Eighteen PAHs were detected in >50% of the samples with concentration medians ranging 1.2–16.3 ng g−1 of wristband. Low molecular weight PAHs (2–3 rings) such as naphthalene and its alkyl derivatives were highly correlated (0.7–0.9) in the wristbands, suggesting exposure from related sources. Exposure source exploration focused on secondhand tobacco smoke, potentially through caregivers who reported on smoking habits in an associated survey. A principal components analysis (PCA) was conducted to examine patterns in PAH compounds detected in the wristbands; subsequently, the resulting components were compared according to current smoking among caregivers. The PCA analysis revealed a grouping of participants based on higher exposure of 1-methyl naphthalene, pyrene, fluoranthene, 1-methylphenanthrene, dibenzothiophene and 2-phenyl naphthalene. The derived components did relate with parental smoking, suggesting that some participants experienced exposure to a common source of certain PAHs outside of parental smoking. This is the first study to assess PAH exposure in young children from South America. Using wristbands, our study indicates exposure to multiple, potentially harmful chemicals. Wristbands could provide a comprehensive picture of PAH exposure in children, complementing other non-invasive biomonitoring approaches.

多环芳烃(PAHs)会对儿童的健康造成危害,可能导致发育迟缓、肥胖和认知障碍,但由于缺乏可靠的非侵入性方法来测量多环芳烃,人们对这一弱势群体的暴露模式和来源知之甚少。在这项研究中,来自乌拉圭蒙得维的亚的 24 名 7 岁以下儿童(9 名男孩和 15 名女孩)佩戴硅胶腕带 8 天,以监测 27 种多环芳烃的暴露情况。腕带采用改良的乙酸乙酯串联固相萃取净化法进行萃取,然后通过气相色谱-串联质谱法进行分析。分析报告显示,27 种 PAHs 的检测限介于 0.05 至 3.91 μg L-1 之间。50%的样品中检测到 18 种 PAHs,浓度中值为 1.2-16.3 纳克/克-1(腕带)。萘及其烷基衍生物等低分子量多环芳烃(2-3 个环)在腕带中的相关性很高(0.7-0.9),表明暴露来自相关来源。暴露源探索的重点是二手烟草烟雾,可能是通过在相关调查中报告吸烟习惯的护理人员。我们进行了主成分分析(PCA),以研究腕带中检测到的多环芳烃化合物的模式;随后,根据护理人员目前的吸烟情况对得出的成分进行了比较。PCA 分析表明,1-甲基萘、芘、荧蒽、1-甲基菲、二苯并噻吩和 2-苯基萘的暴露量较高,因此对参与者进行了分组。衍生成分确实与父母吸烟有关,这表明一些参与者暴露于父母吸烟以外的某些多环芳烃的共同来源。这是第一项评估南美洲幼儿多环芳烃暴露的研究。通过使用腕带,我们的研究显示了儿童接触多种潜在有害化学物质的情况。腕带可以全面反映儿童的多环芳烃暴露情况,是对其他非侵入性生物监测方法的补充。
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引用次数: 0
A brief review on the assessment of potential joint effects of complex mixtures of contaminants in the environment 关于环境中复杂污染物混合物潜在联合效应评估的简要回顾
Pub Date : 2024-04-05 DOI: 10.1039/D4VA00014E
Yu Cheng, Jue Ding, Catherine Estefany Davila Arenas, Markus Brinkmann and Xiaowen Ji

Organisms and humans are exposed to a “cocktail” of contaminants in the environment, but methods for mixture assessment, untargeted analysis, and source identification (fingerprinting) are still lagging, which is critically reviewed in this article. Firstly, this paper briefly summarized both the direct and indirect effects of chemical contaminants at multiple levels on the biological responses of wild organisms. Secondly, the choice of a predictive model for chemical mixture assessment can greatly influence the outcome. Therefore, this review emphasizes the limitation of the main methodologies of risk assessments for chemical mixtures. Thirdly, since current environmental toxicology approaches face barriers to realizing the true potential of advances in analytical chemistry for human health or ecology risk assessment, bioanalytical methods, to screen toxic chemicals or identify unknown chemicals at environmentally relevant levels are reviewed. Lastly, Recently developed machine learning models, incorporating non-targeted screening analysis for the suspect and unknown chemicals and machine learning methods, can be trained on complex datasets to better predict interactions among identified chemicals with random combinations, quantification of similar structural chemicals without the presence of analytical standards, and transfer of chemicals based on their physicochemical properties in human tissues. To perform risk assessments for a variety of chemicals, we propose employing a framework that makes use of a range of methods from the toolbox summarized in this review.

生物和人类暴露于环境中的 "鸡尾酒 "污染物,但混合物评估、非目标分析和来源识别(指纹识别)的方法仍然滞后,本文对此进行了批判性评述。首先,本文简要总结了化学污染物在多个层面上对野生生物生物反应的直接和间接影响。其次,化学混合物评估预测模型的选择会在很大程度上影响评估结果。因此,本综述强调了化学混合物风险评估主要方法的局限性。第三,由于目前的环境毒理学方法在实现分析化学在人类健康或生态风险评估方面的真正潜力方面面临障碍,因此本综述回顾了生物分析方法,以筛选有毒化学品或在环境相关水平上识别未知化学品。最后,最近开发的机器学习模型结合了对可疑和未知化学品的非目标筛选分析以及机器学习方法,可以在复杂的数据集上进行训练,以更好地预测已识别化学品与随机组合之间的相互作用、在没有分析标准的情况下对结构相似的化学品进行量化,以及根据化学品在人体组织中的物理化学特性进行转移。为了对各种化学品进行风险评估,我们建议采用一个框架,利用本综述中总结的工具箱中的一系列方法。
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引用次数: 0
Optical properties and molecular differences in dissolved organic matter at the Bermuda Atlantic and Hawai'i ALOHA time-series stations† 百慕大大西洋和夏威夷 ALOHA 时间序列站溶解有机物的光学特性和分子差异
Pub Date : 2024-03-26 DOI: 10.1039/D3VA00361B
Michael Gonsior, Madeline Lahm, Leanne Powers, Feng Chen, S. Leigh McCallister, Dong Liang, Grace Guinan and Philippe Schmitt-Kopplin

Optically active components, namely marine chromophoric DOM (CDOM) and fluorescent DOM (FDOM), have been used as proxies for refractory DOM (RDOM) in the world's oceans, and numerous studies using ultrahigh resolution mass spectrometry (HRMS) approaches have supplied a tremendous amount of data on the chemical complexity and diversity of DOM. Here, we collected and analyzed high-resolution depth profiles of DOM throughout the water column in the North Atlantic Gyre at the Bermuda Atlantic Time-series Study (BATS) station in August 2019 and in the North Pacific Gyre at station ALOHA (A Long-term Oligotrophic Habitat Assessment) used by the Hawaii Ocean Time-series (HOT) in July 2021. Water samples were collected at 200 m depth intervals from 4530 m at BATS and 4700 m at ALOHA up to the surface and DOM was isolated by solid-phase extraction (SPE). Parallel factor analysis modeled EEM fluorescence revealed changes of “humic-like” and “protein-like” FDOM (FDOMH and FDOMP, respectively) in SPE-DOM throughout the water column with higher fluorescence intensities present at ALOHA. Dissolved organic phosphorous (DOP) and dissolved organic sulfur (DOS) concentrations were always higher in SPE-DOM at BATS than at ALOHA, except for DOP in the surface at ALOHA. Negative mode electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data also revealed fundamental differences between BATS and ALOHA. A novel machine learning algorithm (SOFAR) was implemented and revealed much higher overall oxygen to carbon (O/C) ratio molecular signatures at BATS as the major difference and also much more DOS signatures at BATS when compared to ALOHA. Furthermore, we extracted for the first-time weak anion exchange (WAX) amendable DOM, and the results also showed drastic differences between the two stations. The optical and FT-ICR MS data, converged and supported the idea that DOM in the Atlantic and Pacific basins are fundamentally different when looked at through these analytical windows, at least at these long-term monitoring stations. This finding suggests that the marine DOM is likely turning over at different rates at ALOHA versus BATS and that geographical differences in DOM composition are likely a compounding factor in DOM reactivity.

光学活性成分,即海洋色度 DOM(CDOM)和荧光 DOM(FDOM),已被用作世界海洋中难溶解 DOM(RDOM)的代用指标,使用超高分辨率(HRMS)方法进行的大量研究提供了有关 DOM 化学复杂性和多样性的大量数据。在此,我们于 2019 年 8 月在北大西洋环流的百慕大大西洋时间序列研究(BATS)站,以及 2021 年 7 月在北太平洋环流的夏威夷海洋时间序列(HOT)使用的 ALOHA(长期低营养栖息地评估)站,收集并分析了整个水柱中 DOM 的高分辨率深度剖面图。从 BATS 的 4530 米和 ALOHA 的 4700 米至海面,以 200 米的深度间隔采集水样,并通过固相萃取(SPE)分离 DOM。对 EEM 荧光进行平行因子分析建模后发现,固相萃取-DOM 中的 "腐殖质类 "和 "蛋白质类 "FDOM(分别为 FDOMH 和 FDOMP)在整个水体中都发生了变化,其中 ALOHA 处的荧光强度较高。BATS SPE-DOM 中的溶解有机磷(DOP)和溶解有机硫(DOS)浓度始终高于 ALOHA,但 ALOHA 表层的 DOP 除外。负模式电喷雾离子化 (ESI) HRMS 数据也揭示了 BATS 和 ALOHA 之间的根本差异。我们采用了一种新颖的机器学习算法(SOFAR),发现 BATS 与 ALOHA 相比,主要差异在于 BATS 的总体氧碳(O/C)比分子特征要高得多,而且 BATS 的 DOS 特征也要高得多。此外,我们首次提取了弱阴离子交换(WAX)可修正 DOM,结果也显示了两个站点之间的巨大差异。光学数据和 HRMS 数据趋于一致,支持了这样一种观点,即通过这些分析窗口观察大西洋和太平洋盆地的 DOM,至少在这些长期监测站点是完全不同的。这一发现表明,在阿洛哈站和巴特斯站,海洋 DOM 的翻转速度可能不同,DOM 成分的地理差异可能是 DOM 反应性的一个复合因素。
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引用次数: 0
Industrial biomass waste as an economical, potential adsorbent for removing the Bismarck Brown R dye and zinc metal ions from effluents† 将工业生物质废弃物作为具有经济潜力的吸附剂去除污水中的俾斯麦棕 R 染料和锌金属离子
Pub Date : 2024-03-26 DOI: 10.1039/D3VA00314K
Sivamani Sivalingam and Sowmiya A.

In this research, activated carbon (AC) was prepared from date seed (DS) biomass using a chemical activation method for the removal of the Bismarck Brown R (BBR) dye and zinc metal ions from water. As-prepared AC was characterized using thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET) analysis for understanding the porous carbon surface and pore structure, which are essential properties for removing organic and inorganic pollutants. DSs are complex and were selected to prepare AC as they can yield hard activated carbon and perform better in packed-bed and fluidized-bed adsorption columns. AC samples were prepared at different soaking temperatures, specifically at 45 °C, 55 °C, and 65 °C, and subsequently tested for the removal of both the BBR dye and Zn ions. Various parameters were studied to complete the batch adsorption process, including solution pH, initial concentration (BBR: 100–500 mg L−1; Zn ions: 10–50 mg L−1), contact time (0–240 min), and temperature (30–60 °C). The maximum monolayer adsorption capacity for BBR and Zn metal ions were found to be 192.31 mg g−1 and 15.55 mg g−1, respectively. The data was most accurately described by the pseudo-second-order and Elovich kinetics models. Analysis using the particle diffusion model indicated that both film-diffusion and pore-diffusion mechanisms governed adsorption. Thermodynamic assessments revealed the endothermic behavior of BBR dye adsorption and the exothermic behavior of Zn metal ion adsorption.

在这项研究中,利用化学活化法从枣籽(DS)生物质中制备了有效的活性炭(AC),用于去除水中的俾斯麦棕 R(BBR)染料和锌金属离子。制备出的活性炭通过 TGA、SEM 和 BET 进行表征,以了解其多孔碳的表面和孔隙结构,这些都是去除有机和无机污染物的重要特性。选择复杂的 DS 来制备 AC,是因为它们能产生硬质活性炭,在填料床和流化床吸附塔中性能更好。活性炭在 45、55 和 65 摄氏度的不同温度下制备,并进行了染料和锌离子去除测试。研究了完成批量吸附过程的各种参数,如溶液 pH 值、初始浓度(10-50 毫克/升)、接触时间(0-240 分钟)和温度(30-60 摄氏度)。朗缪尔等温线研究发现,活性炭对染料的最大单层吸附量为 192.31 毫克/克,对金属离子的最大单层吸附量为 15.55 毫克/克。伪二阶动力学模型和埃洛维奇动力学模型与数据的拟合效果最好。颗粒扩散模型表明,吸附受膜扩散和孔隙扩散的控制。热力学结果表明,染料吸附具有内热性质,而金属离子吸附具有放热性质。
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引用次数: 0
Environmental risk assessment of the use of zinc oxide medicated feeds for weaning piglets in the UK 英国断奶仔猪使用氧化锌药物饲料的环境风险评估
Pub Date : 2024-03-20 DOI: 10.1039/D3VA00369H
Adam Peters, Graham Merrington, Ken Stapleton and Stephen Lofts

Concerns over environmental impacts resulting from the use of zinc oxide containing medicines for weaning piglets led to the withdrawal of the authorisations for these products in the EU. In order to better understand these issues more detailed assessments were conducted for the UK, taking account of the fate of zinc in the environment and its bioavailability to ecological receptors. Four regional scenarios covered the main pig farming areas in the UK and the emission scenario was based on current agricultural practices in the UK. The fate and transport of zinc in the environment was modelled using the Intermediate Dynamic Model for Metals, and the toxicity of zinc in the environment was assessed based on current UK regulatory practices. The model takes account of historic additions of metals to the soils to calculate current and future metal levels in the environment. Whilst three of the four regional scenarios predicted a marginal risk, or no risk, to soils after 50 years of use one of the scenarios indicated a risk to surface waters prior to the use of zinc oxide medicated treatments for weaning piglets, and risks to local soils within 10 years of use. Further site-specific assessments were conducted for this region and one of the other regions, based on site specific emission scenarios, soil and surface waters characteristics. These two site-specific assessments revealed that the modelling results were accurate or conservative depending on the assumptions made about historic inputs of metals to agricultural soils from manure spreading, and that the regional scenario that resulted in significant predicted risks to surface waters did not reflect the actual conditions at the local pig farming sites considered. Comparisons between measured concentrations of copper and zinc at pig farming sites suggest that historic agricultural inputs have been an important source of these metals to agricultural soils at some sites. The limited data available for validation suggest that the IDMM is able to provide accurate predictions of metal levels in both soils and surface waters, but that there is significant uncertainty associated with historic inputs of metals to the soils.

由于担心对断奶仔猪使用含氧化锌的药物会对环境造成影响,欧盟撤销了对这些产品的授权。为了更好地了解这些问题,考虑到锌在环境中的归宿及其对生态受体的生物利用率,对英国进行了更详细的评估。四个区域方案涵盖了英国的主要养猪区域,排放方案则以英国当前的农业实践为基础。锌在环境中的归宿和迁移是使用金属中间动态模型进行模拟的,锌在环境中的毒性是根据英国当前的监管实践进行评估的。该模型考虑了历史上向土壤中添加金属的情况,以计算当前和未来环境中的金属含量。在四个区域方案中,有三个方案预测使用 50 年后对土壤的风险很小或没有风险,但有一个方案表明,在对断奶仔猪使用氧化锌药物治疗前,地表水会有风险,使用 10 年后当地土壤会有风险。根据特定地点的排放情景、土壤和地表水特征,对该地区和其他地区之一进行了进一步的特定地点评估。这两项针对具体地点的评估显示,建模结果是准确还是保守,取决于对历史上粪便撒播对农业土壤的金属输入所做的假设,而导致地表水面临重大风险预测的区域情景并不能反映当地养猪场的实际情况。对养猪场铜和锌的测量浓度进行比较表明,历史上的农业投入是某些养猪场农业土壤中这些金属的重要来源。可用于验证的有限数据表明,IDMM 能够准确预测土壤和地表水中的金属含量,但与历史上对土壤的金属输入有关的不确定性很大。
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引用次数: 0
Iron oxide nanoparticles: a narrative review of in-depth analysis from neuroprotection to neurodegeneration 氧化铁纳米颗粒:从神经保护到神经退化的深入分析综述
Pub Date : 2024-03-14 DOI: 10.1039/D4VA00062E
Ruchika Agarwal, Satadal Adhikary, Suchandra Bhattacharya, Sohini Goswami, Dipsikha Roy, Sohini Dutta, Abhratanu Ganguly, Sayantani Nanda and Prem Rajak

Air pollution is a major risk factor for neurological disorders. Both indoor and outdoor dusts comprise different types of iron oxides in the nano-scale range. Due to their small size and unique physico-chemical properties, iron oxide nanoparticles (IONPs) adopt the intracellular path to agglomerate inside the cell cytoplasm. Moreover, they can cross the blood–brain barrier to invade cortical tissues in the brain and impair neuronal functions. Hence, analysis of the effects of IONPs on the Central Nervous System (CNS) structure and functions is indispensable from medical perspective. A literature search was performed using three scientific databases: ScienceDirect, PubMed, and Google Scholar. Articles published till December, 2023 were screened for their relevancy. Analyses of the appropriate literature have revealed that IONPs are being employed in drug delivery systems and diagnosis of CNS-related ailments that favor neuroprotection. However, the inhalation of IONPs from air and other sources can lead to excessive accumulation of iron in the neuronal tissues, leading to a disturbance in neuronal signaling and augmenting the onset of neurodegenerative disorders. Therefore, it is essential to monitor and control the abundance of IONPs in the environment to combat adverse impacts on the human nervous system.

空气污染是神经系统疾病的主要风险因素。室内和室外灰尘中都含有不同种类的纳米级氧化铁。由于氧化铁纳米粒子(IONPs)体积小,具有独特的化学物理特性,因此可通过细胞内路径聚集在细胞胞浆内。此外,它们还能穿过血脑屏障,侵入大脑皮层组织,损害神经元功能。因此,分析 IONPs 对中枢神经系统(CNS)结构和功能的影响是必不可少的。为此,我们按照 PRISMA 指南对已发表的文献进行了系统研究。文献检索通过三个科学数据库进行:ScienceDirect、PubMed 和 Google scholar。对截至 2023 年 8 月发表的原创文章进行了相关性筛选。对相关文献的分析表明,IONPs 正被用于药物输送系统和中枢神经系统相关疾病的诊断,有利于神经保护。然而,从空气和其他来源吸入 IONPs 会导致铁在神经元组织中过度积累,从而导致神经元信号紊乱和神经退行性疾病的发生。因此,必须监测和控制环境中 IONP 的含量,以消除对神经系统的不利影响。
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引用次数: 0
Fluorotelomer ethoxylates cause developmental toxicity in mice 氟特罗聚氧乙烯醚会对小鼠造成发育毒性
Pub Date : 2024-03-07 DOI: 10.1039/D3VA00305A
Katherine L. Steeves, Jenna Hanrahan, Nikita E. Harvey, Karl J. Jobst and Lindsay S. Cahill

Poly- and perfluoroalkyl substances are a ubiquitous class of compounds which are considered persistent organic pollutants. Many of these compounds are unregulated and understudied but are still widely used. One group of these compounds are fluorotelomer ethoxylates, which recently emerged as compounds of interest following their detection in the environment. To determine the health impacts of these persistent compounds, healthy pregnant CD-1 mice were exposed to 0 ng L−1 (n = 8), 5 ng L−1 (n = 8), or 100 ng L−1 (n = 7) fluorotelomer ethoxylates in drinking water throughout gestation. At gestational day 17.5 (term is 18.5 days), high-frequency ultrasound was performed to investigate the placental and fetal hemodynamic responses following exposure. Maternal exposure to fluorotelomer ethoxylates showed evidence of placental insufficiency, with a significant increase in placental weights (p < 0.05), a decrease in the umbilical artery blood flow (p < 0.01) and vasodilation of the cerebral circulation (p < 0.01), consistent with brain sparing to preserve oxygen delivery to the brain. These results demonstrate that fluorotelomer ethoxylates cause developmental toxicity and motivate further work to evaluate the risk to human pregnancies and other vulnerable populations.

多氟和全氟烷基物质是一类无处不在的化合物,被认为是持久性有机污染物。其中许多化合物不受管制,研究不足,但仍被广泛使用。氟代聚氧乙烯醚是其中一类化合物,最近在环境中被检测到后成为人们关注的化合物。为了确定这些持久性化合物对健康的影响,健康的妊娠 CD-1 小鼠在整个妊娠期分别接触了饮用水中 0 纳克/升(8 只)、5 纳克/升(8 只)或 100 纳克/升(7 只)的氟特罗姆聚氧乙烯醚。在妊娠 17.5 天(足月为 18.5 天)时,进行高频超声波检查,以研究胎盘和胎儿在接触后的血流动力学反应。母体接触氟特罗姆聚氧乙烯醚后,有证据表明胎盘功能不全,胎盘重量显著增加(p < 0.05),脐动脉血流减少(p < 0.01),脑循环血管扩张(p < 0.01),这与保护大脑供氧的脑疏通一致。这些结果表明,氟特罗聚氧乙烯醚会导致发育毒性,因此需要进一步开展工作,评估其对人类孕妇和其他易感人群的风险。
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引用次数: 0
Chemometric modeling of the lowest observed effect level (LOEL) and no observed effect level (NOEL) for rat toxicity† 大鼠毒性的最低观测效应水平 (LOEL) 和无观测效应水平 (NOEL) 的化学计量模型
Pub Date : 2024-03-06 DOI: 10.1039/D3VA00265A
Ankur Kumar, Probir Kumar Ojha and Kunal Roy

Humans and other living species of the ecosystem are constantly exposed to a wide range of chemicals of natural as well as synthetic origin. A multitude of compounds exert profound long-term detrimental health effects. The chronic toxicity profile of chemicals is of utmost importance for long-term risk assessment. Experimental testing of the chronic toxicity of compounds is not always a feasible option considering the magnitude of the number of chemicals, resource intensiveness in terms of time, limited availability of experimental data, and associated cost, which therefore necessitates the use of in silico approaches to overcome the associated limitations. In this work, QSAR (quantitative structure–activity relationship) models were developed employing the regression-based PLS method with strict adherence to OECD guidelines. For this study, chronic and sub-chronic toxicity datasets with LOEL (lowest observed effect levels) and NOEL (no observed effect level) as endpoints were used for model development. The validated models are robust, reliable, and predictable. The statistical results of the models are as follows: R2: 0.6–0.71, QLOO2: 0.51–0.635, and QF12: 0.52–0.658. From the validated models, it was concluded that lipophilicity, electronegativity, the presence of aromatic ethers or aliphatic oxime groups, the presence of complexity in structures, the state of unsaturation in molecules, and the presence of halogen and heavy atoms (phosphate, sulphur, etc.) are responsible for chronic/sub-chronic toxicity. The QSAR models developed in our study can be utilized for the effective gap-filling of toxicity data sets, categorization, and prioritization of chemicals, along with chronic toxicity prediction of new synthetic compounds. Furthermore, we used 2568 approved drugs from the DrugBank and PPDB databases for screening purposes using the validated models, which further corroborated the developed models based on the available toxicity data.

人类和生态系统中的其他生物物种经常接触到各种天然和合成的化学物质。许多化合物都会对健康产生深远的长期不利影响。化学品的慢性毒性对长期风险评估至关重要。对化合物的慢性毒性进行实验测试,除了需要大量的时间、有限的实验数据和相关成本外,考虑到化学品数量的庞大,并不总是一个可行的选择,这就需要利用硅学方法来克服相关的限制。在此,我们采用基于回归的 PLS 方法建立了 QSAR(定量结构-活性关系)模型,并严格遵守了 OECD 准则。在本研究中,以 LOEL(最低观测效应水平)和 NOEL(无观测效应水平)为终点的慢性和亚慢性毒性数据集被用于模型开发。经过验证的模型是稳健、可靠和可预测的。模型的统计结果如下:R^2:0.6-0.71;Q_LOO^2:0.51-0.635;Q_F1^2:0.52-0.658。从验证的模型中得出的结论是,亲脂性、电负性、芳香醚或脂肪肟基团的存在、结构的复杂性、分子中的不饱和状态以及卤素和重原子(磷酸盐、硫等)的存在是造成慢性/亚慢性毒性的原因。我们在研究中开发的 QSAR 模型可用于有效填补毒性数据集的空白、对化学品进行分类和优先排序,以及预测新合成化合物的慢性毒性。我们还进一步利用药物库和 PPDB 数据库中的 2568 种已获批准的药物,使用已验证的模型进行筛选,这可能是基于现有毒性数据对所开发模型的额外验证。
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引用次数: 0
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Environmental science. Advances
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