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From Reaction Stoichiometry to Life Cycle Assessment: Decision Tree-Based Estimation Tool. 从反应化学计量学到生命周期评估:基于决策树的评估工具。
IF 7.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-25 eCollection Date: 2025-11-19 DOI: 10.1021/acsenvironau.4c00065
Tim Langhorst, Benedikt Winter, Moritz Tuchschmid, Dennis Roskosch, André Bardow

Decision-making during the early stages of research and development (R&D) should be informed by both economic and ecological perspectives. While early stage cost assessments are well established, life cycle assessment (LCA) is still largely descriptive but should expand to a more prospective tool for early assessing the ecological effects of future processes. Chemical processes should be first assessed as early as when only the reaction equation is known. Our previous comparison of estimation methods based on the reaction equation identified three requirements to foster early stage LCA: (1) estimate inventories rather than final impacts to ensure flexibility, (2) distinguish between processes, as single values cannot reflect the variety of chemical processes, (3) provide a measure of uncertainty. In this publication, we propose regression trees to estimate key inputs for industry-scale life-cycle inventories of chemical processes directly from the underlying reaction equation. In detail, the regression trees yield the raw materials' impact, the direct greenhouse gas (GHG) emissions in CO2eq, and the demands for electricity, steam, natural gas, cooling water, and process water. The regression trees outperform the current best available proxy values and provide inventory information that is as accurate as cost estimates. Thus, our work enables decision-makers to consider environmental aspects with the same level of accuracy as costs projections.

研发初期的决策应考虑经济和生态两方面的因素。虽然早期阶段的成本评估已经建立,但生命周期评估(LCA)仍然在很大程度上是描述性的,但应该扩展为早期评估未来过程的生态影响的更具前瞻性的工具。化学过程应该在只有反应方程已知的时候就进行评估。我们之前对基于反应方程的评估方法的比较确定了促进早期LCA的三个要求:(1)评估库存而不是最终影响,以确保灵活性;(2)区分过程,因为单一值不能反映化学过程的多样性;(3)提供不确定性的度量。在这篇文章中,我们提出了回归树来直接从潜在的反应方程估计工业规模的化学过程生命周期清单的关键输入。详细地说,回归树产生了原材料的影响,以co2当量为单位的直接温室气体(GHG)排放,以及对电力、蒸汽、天然气、冷却水和工艺用水的需求。回归树优于当前最佳可用代理值,并提供与成本估算一样准确的库存信息。因此,我们的工作使决策者能够以与成本预测相同的准确性考虑环境方面。
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引用次数: 0
Disentangling the Impacts of PAHs, Microplastics, and Sediment Resuspension on Algal Physiology: A Partial Least Squares Structural Equation Modeling Approach 多环芳烃、微塑料和沉积物再悬浮对藻类生理的影响:偏最小二乘结构方程建模方法
IF 7.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-23 DOI: 10.1021/acsenvironau.5c00060
Hoi Shing Lo*, Betty Chaumet, Alyssa Azaroff, Anna Sobek, Sofi Jonsson and Elena Gorokhova*, 

Environmental stressors, such as contaminants and physical factors, rarely act in isolation, and studying their joint effects provides a more accurate reflection of real-world scenarios. To capture these interactions and disentangle the direct and indirect influences on algal responses, we applied partial least squares structural equation modeling (PLS-SEM), allowing us to reveal the hierarchical relationships among stressors and their cumulative impact on algal physiology. We examined combined effects of microplastics (MP; presence/absence), polycyclic aromatic hydrocarbons (PAHs; a mixture of acenaphthene, fluorene, phenanthrene, and fluoranthene at a total chemical activity in the sediment of 0 or 0.14), and sediment resuspension (turbidity: 0.8–3.9 NTU) on Ceramium tenuicorne, a coastal macroalga that is likely to encounter all these stressors in its natural habitats. Mechanical mixing at two intensities (low and high) was applied as an experimental treatment to induce resuspension. The analysis separated the effects of mechanical mixing and turbidity, given their nonlinear relationship, as stronger mechanical mixing did not consistently result in proportional turbidity increases. The algal physiological responses were evaluated using changes in pigment composition (Chl a, Chl c, and carotenoids), photosystem II (PSII) performance, total antioxidant capacity, and algal stoichiometry measured as elemental (%C, %N, %H, and C/N) ratios. We found that PAH exposure was the main suppressor of pigment concentrations and PSII performance, underscoring the mechanisms of its adverse effects on the photosynthetic machinery and nutrient assimilation. Moreover, stronger turbulence further decreased pigment concentrations, while sediment resuspension increased antioxidant capacity in algae, possibly due to physical damage from abrasion and scouring. We also found that MP addition significantly increased turbidity, thus aggravating the effects of the sediment resuspension. In conclusion, we provide a mechanistic explanation of how the combined exposure to MPs, PAHs, and sediment resuspension can impact pigment composition, photosynthesis, and stoichiometry of the algae, leading to decreased productivity.

环境压力因素,如污染物和物理因素,很少单独起作用,研究它们的共同影响可以更准确地反映现实世界的情况。为了捕捉这些相互作用并解开对藻类反应的直接和间接影响,我们应用了偏最小二乘结构方程模型(PLS-SEM),使我们能够揭示压力源之间的层次关系及其对藻类生理的累积影响。我们研究了微塑料(MP;存在/不存在)、多环芳烃(PAHs;苊、芴、菲和氟蒽的混合物,沉积物的总化学活性为0或0.14)和沉积物再悬浮(浊度:0.8-3.9 NTU)对tenuicorne(一种可能在其自然栖息地遇到所有这些压力源的沿海大型藻类)的综合影响。采用两种强度(低强度和高强度)的机械混合作为诱导再悬浮的实验处理。考虑到机械混合和浊度的非线性关系,分析分离了机械混合和浊度的影响,因为更强的机械混合并不总是导致成比例的浊度增加。通过色素组成(Chl a、Chl c和类胡萝卜素)、光系统II (PSII)性能、总抗氧化能力和以元素(% c、%N、%H和c /N)比衡量的藻类化学计量学的变化来评估藻类的生理反应。我们发现多环芳烃暴露是色素浓度和PSII性能的主要抑制因子,强调了其对光合机制和养分同化的不利影响机制。此外,更强的湍流进一步降低了色素浓度,而沉积物再悬浮增加了藻类的抗氧化能力,这可能是由于磨损和冲刷造成的物理损伤。我们还发现,MP的加入显著增加了浊度,从而加剧了沉积物再悬浮的影响。综上所述,我们提供了一个机制解释,说明多磺酸粘多糖、多环芳烃和沉积物再悬浮如何影响藻类的色素组成、光合作用和化学计量,从而导致生产力下降。
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引用次数: 0
From Water to Web: Trophic Transfer of Neonicotinoids from a Wastewater Effluent-Dominated Stream to Riparian Spiders 从水到网:新烟碱类从废水为主的河流到河岸蜘蛛的营养转移
IF 7.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-22 DOI: 10.1021/acsenvironau.5c00021
Alyssa L. Mianecki, Jonathan R. Behrens, Dana W. Kolpin, Grant R. Hemphill, Krisha Kapoor and Gregory H. LeFevre*, 

Municipal wastewater is a known point source of organic contaminants, including pharmaceuticals and neonicotinoid insecticides. Emergent aquatic insects can provide a direct aquatic-to-terrestrial contaminant transfer route to the food web, with implications for terrestrial food web dispersal of wastewater-derived organic contaminants. We quantified 17 target pharmaceuticals and insecticides (log Kow: −1.43 to 4.75) in surface water, fish, aquatic insects, and web-building riparian spiders at a wastewater effluent-dominated stream in eastern Iowa, USA. Two neonicotinoids, imidacloprid and clothianidin, had spider tissue concentrations of 8.9–84 ng/g and 1.2–11 ng/g, respectively. The imidacloprid/clothianidin ratios in spider tissues were reflective of the concentration ratios in the effluent-dominated streamwater and opposite of nearby agriculturally dominated waters. In contrast, no pharmaceuticals were detectable in the riparian spiders; however, only pharmaceuticals were present in both fish and aquatic insects (1.1–11 ng/g and 5.9–51 ng/g, respectively). Neonicotinoids are not predicted to enter aquatic food webs based on their log Kow and bioconcentration factor values; therefore, an implication of this study is to warrant caution when using traditional bioaccumulation models for polar hydrophilic contaminants. This work provides further evidence that neonicotinoids undergo trophic transfer and represents the initial measurements, implicating such a transfer from effluent-dominated streams into terrestrial food webs. While this study emphasizes field-relevant observations, it is limited by environmental variability, including uncertainties in the biomass of emergent insects that likely contribute to spider diets. Future research could investigate contaminant metabolites within individual organisms or use complementary techniques to better understand the underlying mechanisms.

城市污水是已知的有机污染物的点源,包括药品和新烟碱类杀虫剂。涌现的水生昆虫可以为食物网提供直接的水生到陆地的污染物转移途径,这对废水来源的有机污染物在陆地食物网的扩散有影响。在美国爱荷华州东部以废水为主的河流中,我们量化了地表水、鱼类、水生昆虫和造网河岸蜘蛛中的17种目标药物和杀虫剂(log Kow: - 1.43至4.75)。新烟碱类吡虫啉和噻虫胺在蜘蛛组织中的浓度分别为8.9 ~ 84 ng/g和1.2 ~ 11 ng/g。蜘蛛组织中吡虫啉/噻虫胺的浓度比反映了以污水为主的水体中吡虫啉/噻虫胺的浓度比,与附近以农业为主的水体的浓度比相反。相比之下,在河岸蜘蛛中没有检测到药物;然而,只有药物存在于鱼类和水生昆虫中(分别为1.1-11 ng/g和5.9-51 ng/g)。根据新烟碱类的log Kow和生物浓缩因子值,预计它们不会进入水生食物网;因此,这项研究的一个启示是,在使用传统的极性亲水污染物生物积累模型时,需要谨慎。这项工作提供了进一步的证据,证明新烟碱类物质经历了营养转移,并代表了最初的测量结果,暗示了这种从以流出物为主的溪流转移到陆地食物网的过程。虽然这项研究强调与实地相关的观察,但它受到环境可变性的限制,包括可能对蜘蛛饮食有贡献的新兴昆虫生物量的不确定性。未来的研究可以调查单个生物体内的污染物代谢物或使用互补技术来更好地了解潜在的机制。
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Mohammad Zarrabian, Lovely Adhikary, Mizuho Nita, Lahiri Sriyanka and Sherif M. Sherif*, 
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Sandra Ceballos-Santos*, Eva Martínez-Ibáñez, Jara Laso, Alba Bala, Pere Fullana-i-Palmer, María Margallo and Rubén Aldaco, 
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Daniel John Katz, Bri Dobson, Mitchell Alton, Harald Stark, Douglas R. Worsnop, Manjula R. Canagaratna and Eleanor C. Browne*, 
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Federica Carnamucio*, Claudia Foti, Franz Saija, Giuseppe Cassone and Ottavia Giuffrè*, 
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Beatriz Albero, Paloma Sánchez-Argüello, Antonio Martín-Esteban, Elina Tampio, Ilmari Laaksonen and Rosa Ana Pérez*, 
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引用次数: 0
IF 6.7 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2025-07-16
Qishen Huang*, Huiyuan Guo, Wei Wang, Seju Kang and Peter J. Vikesland*, 
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ACS Environmental Au
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