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Nanotubular clay minerals for simultaneous sorption of pesticides and PFCAs: a molecular simulation study. 纳米管状粘土矿物同时吸附农药和PFCAs:分子模拟研究。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjae038
Eleni Gianni, Eva Scholtzová, Pavlos Tyrologou, Nazaré Couto, Miroslav Pospíšil, Dimitrios Papoulis, Nikolaos Koukouzas

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) and herbicides are important persistent contaminants that require specific management. A variety of herbicides is stored in fluorinated containers in the form of aquatic solutions. In such environments, the simultaneous release of PFAS and herbicides takes place. Nature-based solutions, such as the use of clay materials as possible sorbents, are attractive for the immobilization of such contaminants and environmental protection. Nanotubular clay minerals, such as halloysite and imogolite, are sufficient sorbents for herbicides. Due to their structural morphology, such materials could be efficient sorbents for the simultaneous immobilization of PFAS and herbicides. In this study, the potential sorption of a short chain PFAS, perfluorobutanoic acid (PFBA), sorbent of PFBA, and herbicides (atrazine and diuron) were investigated. Forcefield calculations were used for the classical molecular simulation study. Different distributions, arrangements, and ratios of the investigated molecules were investigated for the complete structural and energy characterization of the systems. Both clay minerals created stable complexes with PFBA as well as with both PFBA and herbicide molecules. Halloysite mineral led to similar total energies of the system with sorbed PFBA molecules alone, herbicides alone, or both of the pollutants. In contrast, imogolite led to lower energies with sorbed herbicides and showed relatively higher energies when interacting with PFBA. The complexes with both of the pollutants presented moderate energies. Electrostatic interactions were dominant in all the investigated complexes.

全氟烷基和多氟烷基物质(PFAS)和除草剂是需要具体管理的重要持久性污染物。各种除草剂以水溶液的形式储存在含氟容器中。在这样的环境中,会同时释放PFAS和除草剂。基于自然的解决方案,例如使用粘土材料作为可能的吸附剂,对于固定这些污染物和保护环境具有吸引力。纳米管状粘土矿物,如高岭土和铁长石,是除草剂的充分吸附剂。由于其结构形态,这种材料可以作为同时固定化PFAS和除草剂的有效吸附剂。在本研究中,研究了短链PFAS、全氟丁酸(PFBA)、PFBA吸附剂和除草剂(阿特拉津和迪乌隆)的潜在吸附。经典的分子模拟研究采用了力场计算。研究了所研究分子的不同分布、排列和比例,以完成系统的结构和能量表征。这两种粘土矿物与PFBA以及PFBA和除草剂分子都形成了稳定的配合物。高岭土矿物导致系统总能量与单独吸附PFBA分子、单独吸附除草剂或两者都吸附的污染物相似。伊莫戈柳石与除草剂吸附能较低,与PFBA相互作用能相对较高。与这两种污染物的配合物能量适中。在所研究的配合物中,静电相互作用占主导地位。
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引用次数: 0
A global nectar and pollen pesticide residue database with a user interface tool for calculating residue per unit dose for different pesticide application methods. 全球花蜜和花粉农药残留数据库,具有计算不同农药施用方法单位剂量残留量的用户界面工具。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf093
Larry Brewer, William Warren-Hicks, Silvia Hinarejos, Max Feken, Timothy Joseph, Bridget F O'Neill, Don Catanzaro, Timothy B Fredricks

Pollinating bee dietary risk assessment for pesticide registration requires knowledge of nectar and pollen pesticide residue concentrations following different pesticide application methods to crops. The magnitude and duration of bee dietary pesticide exposures vary according to crop attractiveness to bees, physiochemical properties, plant characteristics, application rate, method, timing, and soil characteristics. Regulatory authorities rely on model-generated default estimates of pollinator exposure when measured food item pesticide residue data are unavailable for pesticide active ingredients. In North America, default pesticide residue estimates for pollen and nectar are imbedded in the USEPA's BeeREX model and, depending on the application method, are derived from various model approaches and data sources. Pursuing comprehensive bee-relevant data, we compiled and analyzed pesticide residue data from nectar and pollen samples collected during numerous field studies previously submitted to the USEPA, California Department of Pesticide Regulation, Canada Pesticide Regulatory Agency, and the European Food Safety Authority by pesticide product registrants. The information was compiled into a database that is accessible through an interactive Excel user interface termed NPRUDv1. The interactive file that makes up NPRUDv1 allows the user to generate statistical estimates of pesticide residue per unit dose values in nectar and pollen matrices for different application methods. The values can be used to calculate nectar and pollen estimated environmental concentrations in models to assess dietary pollinator risk. The use of this database and the NPRUDv1 tool will strengthen the dietary exposure component of pollinator pesticide risk assessments by utilizing a database of field-measured pollen and nectar residue concentrations that represent pesticide use patterns in different crops. This publication describes the procedures followed to establish a globally comprehensive nectar and pollen residue database, demonstrates the use of NPRUDv1, and demonstrates its applicability to lower tier pollinator pesticide risk assessment.

农药登记的传粉蜜蜂膳食风险评估需要了解不同农药施用方法对作物的花蜜和花粉农药残留浓度。蜜蜂膳食农药暴露的幅度和持续时间因作物对蜜蜂的吸引力、理化性质、植物特性、施用量、方法和时间以及土壤特性而异。当测量的食品农药残留数据无法获得农药有效成分时,监管当局依赖于模型生成的传粉媒介暴露的默认估计。在北美,花粉和花蜜的默认农药残留估计值嵌入在美国环境保护署的BeeREX模型中,并且根据应用方法,从各种模型方法和数据来源中得出。为了获得与蜜蜂相关的全面数据,我们收集并分析了农药产品注册人在多次实地研究中收集的花蜜和花粉样本中的农药残留数据,这些数据此前已提交给美国环境保护局、加州农药监管部、加拿大农药监管局和欧洲食品安全局。这些信息被编译到一个数据库中,该数据库可通过称为NPRUDv1的交互式Excel®用户界面访问。构成NPRUDv1的交互式文件允许用户对不同施用方法的花蜜和花粉基质中的每单位剂量农药残留(RUD)值进行统计估计。这些值可用于计算模型中的花蜜和花粉估计环境浓度(EECs),以评估膳食传粉者的风险。该数据库和NPRUDv1工具的使用将通过利用代表不同作物农药使用模式的田间测量花粉和花蜜残留物浓度数据库,加强传粉媒介农药风险评估的饮食暴露部分。本出版物描述了建立全球综合花蜜和花粉残留数据库所遵循的程序,演示了NPRUDv1的使用,并演示了其对较低层次传粉媒介农药风险评估的适用性。
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引用次数: 0
Integrated management of aquaculture systems: a literature overview for application to the context of the Gulf of Nicoya, Costa Rica. 水产养殖系统的综合管理:应用于哥斯达黎加尼科亚湾的文献综述。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf076
Ana Eugenia Robles-Herrera, Angel Herrera-Ulloa, Rudi Radrigan, José Daniel Araya, Tomás de Jesus Guzmán Hernández

The concept of integrated management emerged in the 1980s and was adopted by the United Nations Program within Agenda 21, with a strong connection to the ecosystem-based approach. Both integrated coastal management and integrated agriculture management derive from this model and are adapted to different contexts and uses, including planning, decision-making, and efficient production. The blue economy model leverages integrated management in aquaculture and fishing. In Costa Rica's Gulf of Nicoya, this model is promoted for application to aquaculture. This article gives an overview of integrated aquaculture management practices around the world. For this, we applied a meta-analysis using a bibliometric methodology. The review reveals that most of the experiences are from East and South Asia and Europe, with China being the primary proponent. The practices found are related to production management practices and integrated coastal management. A large number of documents are associated with the ecosystem-based approach. The research is related not only to the principal commercial species but also to alternative species like octopus, sponges, and algae. The practices found in the documents reviewed can be classified as either ecosystem management, production maximization, technology, or integrated multisector or spatial planning. Turning an eye to Costa Rica, the conditions explored reveal a lack of information about aquaculture management in addition to a complex administrative and legal framework. Therefore, it is necessary to study aquaculture management to make an integrated aquaculture management proposal. Global practices establish a base platform for the theoretical underpinning of an eventual proposal for the Gulf of Nicoya, Costa Rica.

综合管理的概念出现于1980年代,并由联合国开发计划署在《21世纪议程》内采用,与基于生态系统的办法有密切联系。沿海综合管理和农业综合管理都源自这一模式,并适应不同的情况和用途,包括规划、决策和高效生产。蓝色经济模式利用水产养殖和渔业的综合管理。在哥斯达黎加的尼科亚湾,该模式被推广应用于水产养殖。本文概述了世界各地水产养殖综合管理实践。为此,我们采用文献计量学方法进行了荟萃分析。审查显示,大多数经验来自东亚、南亚和欧洲,中国是主要的支持者。所发现的做法与生产管理做法和沿海综合管理有关。大量的文档与基于生态系统的方法相关联。这项研究不仅涉及主要的商业物种,还涉及章鱼、海绵和藻类等替代物种。在审查的文件中发现的实践可以分为生态系统管理、生产最大化、技术、综合多部门或空间规划。再看看哥斯达黎加,调查的情况表明,除了复杂的行政和法律框架外,还缺乏有关水产养殖管理的信息。因此,有必要对水产养殖管理进行研究,提出水产养殖综合管理建议。全球实践为哥斯达黎加尼科亚湾的最终提案奠定了理论基础。
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引用次数: 0
Identification and treatment of false methane values produced by the tunable diode laser absorption spectroscopy technology equipped on unmanned aerial vehicles. 无人机上可调谐二极管激光吸收光谱技术产生的甲烷假值的识别与处理。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjae043
Maurizio De Molfetta, Donatello Fosco, Pietro Alexander Renzulli, Bruno Notarnicola

Fugitive or diffuse methane emissions constitute an important source of damage to the environment, much greater even than CO2 both over a time span of 20 years and over a longer time span of 100. It is therefore of preeminent importance to undertake all the efforts necessary to implement new tools, protocols, and methods that contribute to the identification and measurement of these emissions to implement site-specific actions of mitigation, repair, and conscious management of the emitting plants. Among the remote sensing and leak detection technologies currently used, the tunable diode laser absorption spectroscopy (TDLAS) method plays a relevant role. Thanks to the study and implementation of increasingly high-performance sensors to be equipped on drones, this method is strongly promoted in the unmanned aerial vehicle sector. However, as often happens, the operational performance of a measurement method must be associated with measurement errors, which must be foreseen (where possible), and certainly detailed and corrected. The purpose of this article is to describe the procedure for identifying and processing "false-positive" values recorded by the payload during a survey flight for the measurement of methane concentrations in airborne matrix, with a TDLAS sensor. The methodology contained in this article is based on the study of scientific evidence referable to previous in-depth experiences on false positives and largely on the direct experience gained by the project team of the TALSEF laboratory (University of Bari, Italy) during numerous measurement campaigns in landfills, oil and gas sites, and cattle stables.

逸散性或弥漫性甲烷排放是对环境造成破坏的一个重要来源,在20年的时间跨度和100年的更长时间跨度内,甲烷排放甚至比二氧化碳大得多。因此,极为重要的是采取一切必要的努力,实施有助于查明和测量这些排放的新工具、协议和方法,以实施针对特定场址的减缓、修复和有意识地管理排放工厂的行动。在目前使用的遥感和泄漏检测技术中,可调谐二极管激光吸收光谱(TDLAS)方法发挥了相应的作用。随着高性能传感器在无人机上的研究和实现,这种方法在无人机领域得到了大力推广。然而,正如经常发生的那样,测量方法的操作性能必须与测量误差相关联,这些误差必须被预见(在可能的情况下),并且当然详细和纠正。本文的目的是描述在测量飞行期间有效载荷记录的“假阳性”值的识别和处理程序,用于测量机载矩阵中的甲烷浓度,使用TDLAS传感器。本文中所包含的方法是基于对科学证据的研究,这些证据可参考以前对假阳性的深入经验,并且主要基于TALSEF实验室(意大利巴里大学)项目团队在垃圾填埋场、石油和天然气场地以及牛棚的多次测量活动中获得的直接经验。
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引用次数: 0
Efficiency assessment of per- and polyfluoroalkyl substances immobilization for large volumes of diffuse contaminated soil at airports. 机场大容量弥漫性污染土壤PFAS固定化效果评价。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf026
Matthew Askeland, Elissar Mikhael, Mubiana Matakala

This study evaluated the feasibility of immobilizing diffuse per- and polyfluoroalkyl substance (PFAS)-contaminated soil by developing and validating a novel field-scale methodology. The effectiveness of this approach was assessed via a field-scale trial conducted at an airport in Australia. Prior to full-scale treatment, laboratory trials were undertaken to determine optimal treatment reagents and application rates. The Standardised Sorbent Qualities Measure (SSQM) and Matrix Sorbent Qualities Measure (MSQM) were developed and applied to assess sorbent sorption/desorption capacity for PFAS under standardized conditions, facilitating sorbent selection. Three blending techniques were employed for field-scale trials: manual mixing with an excavator, large-scale rapid mixing using a pug mill, and a portable trommel screen. The efficacy of soil blending with a RemBind sorbent was validated using the sum of and leachable perfluorooctanesulfonic acid (PFOS) + perfluorohexanesulfonic acid (PFHxS) assessments. Results showed a substantial reduction in PFAS leachability, with mean PFOS + PFHxS concentrations generally decreasing to below the limit of reporting, resulting in over 98% reductions in leachable fractions. The Sorbent Application Uniformity Test (SAUT) effectively served as a quality assurance and quality control (QA/QC) measure alongside PFAS analysis, demonstrating consistent sorbent-soil blending across all methods evaluated. Overall, the large-scale trial at the airport confirmed that immobilization using 1%-2% RemBind 100 sorbent offered a viable, sustainable, and cost-effective solution, particularly for PFOS and PFHxS. Applying novel SSQM/MSQM and SAUT methods combined with pre- and post-treatment leachability analysis established a clear link between the sorbent application specification determined from laboratory-scale trials and field validation requirements. Thus, these methods are pertinent for assessing the immobilization technique's efficacy and sorbent blending quality.

本研究通过开发和验证一种新的田间尺度方法,评估了固定扩散单氟烷基物质和多氟烷基物质(PFAS)污染土壤的可行性。通过在澳大利亚一个机场进行的实地规模试验,评估了这一方法的有效性。在全面治疗之前,进行了实验室试验,以确定最佳的治疗试剂和应用率。开发并应用了标准化吸附剂质量测量(SSQM)和基质吸附剂质量测量(MSQM)来评估PFAS在标准化条件下的吸附剂吸附/解吸能力,促进了吸附剂的选择。在现场规模试验中采用了三种混合技术:挖掘机手动混合,大型快速混合,以及便携式滚筒筛。采用可浸全氟辛烷磺酸(PFOS) +全氟己磺酸(PFHxS)的总和评估和可浸全氟己烷磺酸(PFHxS)评估,验证了RemBind吸附剂混合土壤的有效性。结果显示,PFAS的浸出率大幅降低,PFOS + PFHxS的平均浓度普遍降至报告限值以下,导致可浸出分数降低98%以上。吸附剂均匀性测试(SAUT)与PFAS分析一起有效地作为质量保证和质量控制(QA/QC)措施,证明所有评估方法中吸附剂-土壤混合一致。总的来说,在机场进行的大规模试验证实,使用1%至2% RemBind 100吸附剂进行固定是一种可行的、可持续的、具有成本效益的解决方案,特别是对于全氟辛烷磺酸和PFHxS。采用新颖的SSQM/MSQM和SAUT方法,结合处理前和处理后的浸出性分析,在实验室规模试验确定的吸附剂应用规范和现场验证要求之间建立了明确的联系。因此,这些方法对于评价固定技术的效果和吸附剂的混合质量是有意义的。
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引用次数: 0
Advanced methods for soil and water remediation: introduction to the RemTech Europe 2023 special series. 先进的土壤和水修复方法:介绍RemTech欧洲2023特别系列。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf096
Paola Grenni, Marco Falconi

Many soil and water ecosystems are in poor condition. Contamination, among the numerous anthropogenic pressures on soils, causes degradation that may completely limit provision of ecosystem services. Healthy soils and waters are fundamental to sustaining life on Earth, so the development and application of sustainable and effective technologies for remediation of contaminated environments is a priority. Also important are robust contaminated site risk assessment and management processes, and the application of high-resolution techniques for pollutant characterization. In addition, the socioeconomic burden of contamination presents another highly complex challenge that requires attention. This special series features selected works from RemTech Europe 2023, including presentations regarding difficult-to-treat contaminants such as pesticides and perfluoroalkyl and polyfluoroalkyl substances (PFAS), and the application of tools for rapid assessment of methane emissions from contaminated soils (e.g., tunable diode laser adsorption spectroscopy mounted on drones). The series also includes a range of advanced approaches for in situ site remediation and practical site management, together with a demonstration of how soil degradation can reduce economic land value. Overall, advanced techniques for in situ remediation together with practical management of contaminated sites were presented in a hybrid attendance event that included combined face-to-face and online engagement participation at RemTech Europe. This fundamental role of RemTech Europe in knowledge exchange and sharing is crucial for promoting suitable and effective methodologies for the assessment and remediation of contaminated sites.

许多水土生态系统状况不佳。在对土壤的众多人为压力中,污染导致退化,可能完全限制生态系统服务的提供。健康的土壤和水是维持地球生命的基础,因此开发和应用可持续和有效的技术来修复受污染的环境是一个优先事项。同样重要的是健全的污染场地风险评估和管理过程,以及高分辨率污染物表征技术的应用。此外,污染的社会经济负担是另一个需要注意的高度复杂的挑战。本系列特别介绍了来自REMTECH Europe 2023的精选作品,包括关于难以处理的污染物(如农药和全氟烷基和多氟烷基物质(PFAS))的介绍,以及用于快速评估受污染土壤甲烷排放的工具的应用(例如安装在无人机上的可调谐二极管激光吸附光谱)。该系列还包括一系列现场修复和实际现场管理的先进方法,以及土壤退化如何降低经济土地价值的示范。总体而言,现场修复的先进技术以及污染场地的实际管理在RemTech Europe的混合出席活动中进行了介绍,包括面对面和在线参与。欧洲RemTech在知识交流和分享方面的这种基本作用对于促进评估和修复受污染场地的适当和有效方法至关重要。
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引用次数: 0
Beyond deterministic air quality modeling: a probabilistic screening approach for emission inputs in AERMOD. 超越确定性空气质量模型:AERMOD排放输入的概率筛选方法。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf098
Zachery I Emerson, Tanvir R Khan

Traditional air dispersion modeling usually relies on deterministic frameworks that use multiple conservative assumptions as inputs. For example, atmospheric pollutant concentrations are often overestimated by using maximum emission rates for point sources, an approach recommended by regulatory agencies that may not reflect typical operating conditions, especially for sources with variable emissions. To better understand how emission variability affects modeled pollutant concentrations, this study presents a novel probabilistic modeling framework designed to estimate pollutant concentrations from industrial sources, with a focus on integrating variability in emission rates. The framework incorporates a Monte Carlo screening method combined with AERMOD (American Meteorological Society/Environmental Protection Agency Regulatory Model) to evaluate the atmospheric dispersion of emissions. This approach provides a more flexible and data-driven method for determining emission rates compared to traditional modeling methods. The utility of the method was demonstrated through an application to the pulp and paper industry that included modeling of nitrogen oxides (NOx) emissions from a virtual kraft pulp mill. A base AERMOD simulation, using maximum emission rates, predicted the highest concentration of ambient nitrogen dioxide (NO2), representing a worst-case scenario. In contrast, using emission rates derived from the Monte Carlo screening method, the estimated ambient NO2 concentrations were substantially lower. The method can be further enhanced by incorporating additional sources of variability and expanding its application to other pollutants.

传统的空气弥散建模通常依赖于使用多个保守假设作为输入的确定性框架。例如,使用点源的最大排放率往往高估了大气污染物浓度,这是监管机构建议的一种方法,可能无法反映典型的操作条件,特别是对于排放变化的源。为了更好地理解排放变异性如何影响模拟的污染物浓度,本研究提出了一个新的概率建模框架,旨在估计来自工业来源的污染物浓度,重点是将排放率的变异性整合起来。该框架采用蒙特卡罗筛选方法结合AERMOD来评估大气中排放的扩散。与传统的建模方法相比,该方法为确定排放率提供了更灵活和数据驱动的方法。该方法的实用性通过纸浆和造纸工业的应用得到了证明,其中包括对虚拟硫酸盐纸浆厂的氮氧化物(NOx)排放进行建模。使用最大排放率的基础AERMOD模拟预测了环境二氧化氮(NO2)的最高浓度,代表了最坏的情况。相比之下,使用蒙特卡罗筛选法得出的排放率,估计的环境NO2浓度要低得多。该方法可以通过纳入其他可变性来源并将其应用范围扩大到其他污染物来进一步增强。
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引用次数: 0
Probabilistic approaches for risk assessment and regulatory criteria development: current applications, gaps, and opportunities. 风险评估和监管标准制定的概率方法:当前的应用、差距和机会。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf016
Camille Flinders, Brad Barnhart, Emily B Morrison, Paul D Anderson, Wayne G Landis

Traditional ecological and human health risk assessment often relies on deterministic frameworks that preclude the presence of variability or uncertainty among input parameters characterizing exposure, effects, and risk. To promote increased realism and generate more robust risk management decisions, probabilistic risk assessment (PRA) has been introduced as a foundational grouping of techniques that seeks to broadly characterize variability among its components. Although multiple methods exist (e.g., Monte Carlo simulations, Bayesian networks), along with some federal and state regulatory guidance, gaps remain in prescriptive regulatory recommendations for the implementation of PRA methods. This article describes specific probabilistic approaches for risk characterization and assessment, regulatory support of PRA, challenges that may limit more widespread use, and opportunities for its expanded use in regulatory areas where it is not currently applied. Taken together, we hope to advance the understanding of probabilistic methodologies and their versatility for robust, transparent, data-based environmental risk assessment and standards derivation across a range of media that align with regulatory objectives to protect aquatic and terrestrial biota, human health, and vulnerable populations.

传统的生态和人类健康风险评估往往依赖于确定性框架,排除了表征暴露、影响和风险的输入参数之间存在变异性或不确定性。为了促进增加的现实性和产生更稳健的风险管理决策,概率风险评估(PRA)已经被引入作为一种基本的技术分组,旨在广泛地表征其组成部分之间的可变性。虽然存在多种方法(例如,蒙特卡罗模拟,贝叶斯网络)以及一些联邦和州的监管指导,但在实施PRA方法的规范性监管建议方面仍然存在差距。本文描述了风险表征和评估的具体概率方法、PRA的监管支持、可能限制其更广泛使用的挑战,以及在目前尚未应用PRA的监管领域扩大使用的机会。综上所述,我们希望促进对概率方法及其多功能性的理解,以便在符合保护水生和陆地生物群、人类健康和弱势群体的监管目标的一系列媒体上进行稳健、透明、基于数据的环境风险评估和标准制定。
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引用次数: 0
The Leaching Calculator: a tool for predicting leachability within the framework of the new mobility-related hazard classes PMT and vPvM. 浸出计算器:在新的流动性相关危险等级PMT和vPvM框架内预测浸出性的工具。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf094
Judith Klein, Dimitrios Alexander Skodras

In this study, we propose a new metric for substance mobility in extension to the already implemented use of the log Koc as a sorption constant to the organic carbon content of soils. The new metric is based on the leachability of a compound in soil, i.e., the fraction thereof that is predicted to be transported to shallow groundwater. Apart from including climate and soil properties of European regions, the degradation half-life in soil is used in addition to the log Koc as an important parameter. This improves the applicability of the mobility concept for substances used under European environmental conditions due to the important role of degradation on a substance's potential to pass drinking water barriers such as soil or sediment. To factor in these additional parameters, the meta-model Leaching Calculator was developed. It is based on FOCUS (FOrum for Coordination of pesticide models and their USe) PELMO (PEsticide Leaching MOdel) as the underlying model to calculate the leachability of substances. FOCUS PELMO is a mechanistic leaching model that may provide a more comprehensive understanding of a chemical's movements in the environment. While calculations with FOCUS PELMO require many substance parameters and well-defined pedo-climatic scenarios, the Leaching calculator only uses the log Koc and the half-life in soil as input parameters, and subsequently calculates the leachability based on a set of PELMO computations. Mobility assessments are then derived from proposed leachability thresholds.

在这项研究中,我们提出了一种新的物质流动性指标,延伸到已经实施的使用对数Koc作为土壤有机碳含量的吸收常数。新的度量是基于土壤中化合物的淋溶性,即预测将被输送到浅层地下水的部分。除了包括欧洲地区的气候和土壤性质外,还使用了土壤中的降解半衰期,并将log Koc作为重要参数。这提高了流动性概念对在欧洲环境条件下使用的物质的适用性,因为降解对物质通过土壤或沉积物等饮用水屏障的潜力具有重要作用。为了考虑这些额外的参数,开发了元模型浸出计算器。它是基于FOCUS PELMO作为基础模型来计算物质的浸出能力。PELMO是一种机械浸出模型,可以提供对化学物质在环境中的运动更全面的理解。虽然FOCUS PELMO计算需要许多物质参数和明确的土壤气候情景,但淋滤计算器仅使用对数Koc和土壤中的半衰期作为输入参数,随后根据一组PELMO计算计算出淋滤能力。然后根据建议的浸出性阈值得出流动性评估。
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引用次数: 0
Environmental risk assessment for contaminants of emerging concern in the Belgian part of the North Sea. 北海比利时部分新出现的污染物环境风险评估。
IF 8.4 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-11-01 DOI: 10.1093/inteam/vjaf092
Qiyun Zhang, Simon Hansul, Moeris Samuel, Lynn Vanhaecke, Kristof Demeestere, Karel De Schamphelaere

Belgian coastal waters are influenced by densely populated cities, industrial activities, and marine shipping, and they are therefore subject to chemical contamination. In the NewSTHEPS (New Strategies for Monitoring and Risk Assessment of Hazardous Chemicals in the Marine Environment With Passive Samplers) project (2012-2019), more than 150 contaminants of emerging concern (CECs) were detected in the Belgian part of the North Sea, including hormones, personal care products (PCPs), pesticides, nonhormone pharmaceuticals, phenols, and phthalates. In this study, we developed and used an automated algorithm to calculate the marine screening level predicted no-effect concentration (PNECscreen) of substances and identify the organisms and organism groups most sensitive to these chemicals based on ecotoxicological data from the ECOTOX Knowledgebase. By combining these PNECscreen values, existing environmental quality standards (EQSs) from the EU Water Framework Directive (WFD), and PNECs from other sources with environmental concentrations of substances measured in the NewSTHEPS project, we assessed the risk of different classes of CECs at four sampling stations. The distribution of risk was comparable between open sea and harbor sampling locations, and also between samples collected with grab sampling and passive sampling. In total, 33 substances, including 11 hormones (natural and synthetic ones), two PCPs, four pesticides, eight nonhormone pharmaceuticals, two phenols, and six phthalates, were found to be associated with potential environmental risk (median risk quotient > 1), with fish most frequently being the most sensitive organisms. The majority (23/33, i.e., > 80%) of these substances, particularly hormones and phthalates, have not been included in the EU WFD EQS directive's Priority List or associated Watch Lists. Although the risks associated with pharmaceuticals were primarily driven by individual substances, hormones, phthalates, and pesticides with endocrine disrupting and/or neurotoxic potentials were estimated to contribute to a "something from nothing" effect, where mixture risk arises even when all individual components are present at concentrations below their effect thresholds.

比利时沿海水域受到人口密集的城市、工业活动和海运的影响,因此受到化学污染。在NewSTHEPS项目(2012-2019)中,在北海比利时部分检测到150多种新出现的关注污染物(CECs),包括激素、个人护理产品(pcp)、农药、非激素药物、酚类和邻苯二甲酸盐。在这项研究中,我们开发并使用了一种自动算法来计算海洋筛选水平预测物质的无效应浓度(PNECscreen),并根据ECOTOX知识库中的生态毒理学数据确定对这些化学物质最敏感的生物和生物群体。通过将这些PNECscreen值、欧盟水框架指令(WFD)的现有环境质量标准(EQS)以及其他来源的预测无影响浓度(PNECs)与NewSTHEPS项目中测量的物质的环境浓度相结合,我们评估了四个采样站不同类别CECs的风险。风险分布在外海采样点和港口采样点之间具有可比性,在抓取采样点和被动采样点之间也具有可比性。总共有33种物质,包括11种激素(天然和合成激素)、两种个人护理产品(pcp)、4种农药、8种非激素药物、2种酚类和6种邻苯二甲酸盐,被发现与潜在的环境风险相关(风险商中位数bbb1),其中鱼类最常是最敏感的生物。这些物质中的大多数(23/33,即bbb80 %),特别是激素和邻苯二甲酸盐,尚未列入欧盟WFD EQS指令的优先清单或相关观察清单。虽然与药物相关的风险主要是由具有内分泌干扰和/或神经毒性潜力的单个物质、激素、邻苯二甲酸盐和杀虫剂驱动的,但据估计,它们会导致“无中生有”效应,即使所有单个成分的浓度低于其影响阈值,也会产生混合风险。
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Integrated Environmental Assessment and Management
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