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2025
CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials
The CompSafeNano project, a Research and Innovation Staff Exchange (RISE) project funded under the European Union's Horizon 2020 program, aims to advance the safety and innovation potential of nanomaterials (NMs) by integrating cutting-edge nanoinformatics, computational modelling, and predictive toxicology to enable design of safer NMs at the earliest stage of materials development. The project leverages Safe-by-Design (SbD) principles to ensure the development of inherently safer NMs, enhancing both regulatory compliance and international collaboration. By building on established nanoinformatics frameworks, such as those developed in the H2020-funded projects NanoSolveIT and NanoCommons, CompSafeNano addresses critical challenges in nanosafety through development and integration of innovative methodologies, including advanced in vitro models, in silico approaches including machine learning (ML) and artificial intelligence (AI)-driven predictive models and 1st-principles computational modelling of NMs properties, interactions and effects on living systems. Significant progress has been made in generating atomistic and quantum-mechanical descriptors for various NMs, evaluating their interactions with biological systems (from small molecules or metabolites, to proteins, cells, organisms, animals, humans and ecosystems), and in developing predictive models for NMs risk assessment. The CompSafeNano project has also focused on implementing and further standardising data reporting templates and enhancing data management practices, ensuring adherence to the FAIR (Findable, Accessible, Interoperable, Reusable) data principles. Despite challenges, such as limited regulatory acceptance of New Approach Methodologies (NAMs) currently, which has implications for predictive nanosafety assessment, CompSafeNano has successfully developed tools and models that are integral to the safety evaluation of NMs, and that enable the extensive datasets on NMs safety to be utilised for the re-design of NMs that are inherently safer, including through prediction of the acquired biomolecule coronas which provide the biological or environmental identities to NMs, promoting their sustainable use in diverse applications. Future efforts will concentrate on further refining these models, expanding the NanoPharos Database, and working with regulatory stakeholders thereby fostering the widespread adoption of SbD practices across the nanotechnology sector. CompSafeNano's integrative approach, multidisciplinary collaboration and extensive stakeholder engagement, position the project as a critical driver of innovation in NMs SbD methodologies and in the development and implementation of computational nanosafety.
Elsevier
2025
2025
We assessed the biomass burning (BB) smoke aerosol optical depth (AOD) simulations of 11 global models that participated in the AeroCom phase III BB emission experiment. By comparing multi-model simulations and satellite observations in the vicinity of fires over 13 regions globally, we (1) assess model-simulated BB AOD performance as an indication of smoke source–strength, (2) identify regions where the common emission dataset used by the models might underestimate or overestimate smoke sources, and (3) assess model diversity and identify underlying causes as much as possible. Using satellite-derived AOD snapshots to constrain source strength works best where BB smoke from active sources dominates background non-BB aerosol, such as in boreal forest regions and over South America and southern hemispheric Africa. The comparison is inconclusive where the total AOD is low, as in many agricultural burning areas, and where the background is high, such as parts of India and China. Many inter-model BB AOD differences can be traced to differences in values for the mass ratio of organic aerosol to organic carbon, the BB aerosol mass extinction efficiency, and the aerosol loss rate from each model. The results point to a need for increased numbers of available BB cases for study in some regions and especially to a need for more extensive regional-to-global-scale measurements of aerosol loss rates and of detailed particle microphysical and optical properties; this would both better constrain models and help distinguish BB from other aerosol types in satellite retrievals. More generally, there is the need for additional efforts at constraining aerosol source strength and other model attributes with multi-platform observations.
2025
Sb-PiPLU: A Novel Parametric Activation Function for Deep Learning
The choice of activation function—particularly non-linear ones—plays a vital role in enhancing the classification performance of deep neural networks. In recent years, a variety of non-linear activation functions have been proposed. However, many of these suffer from drawbacks that limit the effectiveness of deep learning models. Common issues include the dying neuron problem, bias shift, gradient explosion, and vanishing gradients. To address these challenges, we introduce a new activation function: Softsign-based Piecewise Parametric Linear Unit (Sb-PiPLU). This function offers improved non-linear approximation capabilities for neural networks. Its piecewise, parametric design allows for greater adaptability and flexibility, which in turn enhances overall model performance. We evaluated Sb-PiPLU through a series of image classification experiments across various Convolutional Neural Network (CNN) architectures. Additionally, we assessed its memory usage and computational cost, demonstrating that Sb-PiPLU is both stable and efficient in practical applications. Our experimental results show that Sb-PiPLU consistently outperforms conventional activation functions in both classification accuracy and computational efficiency. It achieved higher accuracy on multiple benchmark datasets, including CIFAR-10, CINIC-10, MWD, Brain Tumor, and SVHN, surpassing widely-used functions such as ReLU and Tanh. Due to its flexibility and robustness, Sb-PiPLU is particularly well-suited for complex image classification tasks.
IEEE (Institute of Electrical and Electronics Engineers)
2025
American Geophysical Union (AGU)
2025
Aerosol hygroscopicity influenced by seasonal chemical composition variations in the Arctic region
In this study, we quantified aerosol hygroscopicity parameter using aerosol microphysical observation data (κphy), analyzing monthly and seasonal trends in κphy by correlating it with aerosol chemical composition over 6 years from April 2007 to March 2013 at the Zeppelin Observatory in Svalbard, Arctic region. The monthly mean κphy value exhibited distinct seasonal variations, remaining high from winter to spring, reaching its minimum in summer, followed by an increase in fall, and maintaining elevated levels in winter. To verify the reliability of κphy, we employed the hygroscopicity parameter calculated from chemical composition data (κchem). The chemical composition and PM2.5 mass concentration required to calculate κchem was obtained through Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2) reanalysis data and the calculation of κchem assumed that Arctic aerosols comprise only five species: black carbon (BC), organic matter (OM), ammonium sulfate (AS), sea salt aerosol less than a diameter of 2.5 μm (SSA2.5), and dust aerosol less than a diameter of 2.5 μm (Dust2.5). The κchem had no distinct correlation but had a similar seasonal trend compared to κphy. The κchem value followed a trend of SSA2.5 and was much higher by a factor of 1.6 ± 0.3 than κphy on average, due to a large proportion of SSA2.5 mass concentration in MERRA-2 reanalysis data. This may be due to the overestimation of sea salt aerosols in MERRA-2 reanalysis. The relationship between monthly mean κphy and the chemical composition used to calculate κchem was also analyzed. The elevated κphy from October to February resulted from the dominant influence of SSA2.5, while the maximum κphy in March was concurrently influenced by increasing AS and Dust2.5 associated with long-range transport from mid-latitude regions during Arctic haze periods and by SSA mass concentration obtained from in-situ sampling, which remained high from the preceding winter. The relatively low κphy from April to September can be attributed to low SSA2.5 and the dominance of organic compounds in the Arctic summer. Either natural sources such as those of marine and terrestrial biogenic origin or long-range-transported aerosols may contribute to the increase in organic aerosols in summer, potentially influencing the reduction in κphy of atmospheric aerosols. To our knowledge, this is the first study to analyze the monthly and seasonal variation of aerosol hygroscopicity calculated using long-term microphysical data, and this result provides evidence that changes in monthly and seasonal hygroscopicity variation occur depending on chemical composition.
Elsevier
2025
Introduction
Per- and polyfluoroalkyl substances (PFAS) have been linked to effects on human lipid profiles, with several epidemiological studies reporting associations between specific PFAS and blood lipid concentrations. However, these associations have been inconsistent, and most studies have focused on cross-sectional analyses with limited repeated measurements.
Objective
In this study, we investigated associations between serum PFAS concentrations and major blood lipid classes over a 30-year period (1986–2016) and up to five time points. Lipids analyzed included total cholesterol (TC), low-density lipoprotein cholesterol (LDL-C), high-density lipoprotein cholesterol (HDL-C), and triglycerides (TG).
Methods
This study included 145 participants from The Tromsø Study, Norway, who donated plasma samples three to five times over the study period. Linear mixed-effects (LME) models assessed longitudinal associations between PFAS and lipid classes, while multiple linear regression (MLR) models were used for cross-sectional associations.
Results
LME models demonstrated positive longitudinal associations between perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), perfluorodecanoic acid (PFDA), perfluoroundecanoic acid (PFUnDA), perfluorododecanoic acid (PFDoDA), and perfluorotridecanoic acid (PFTrDA) with TC. Additionally, PFOA, PFDA, PFUnDA, PFDoDA, and PFTrDA were associated with LDL-C, and PFUnDA and summed perfluorooctane sulfonate isomers (∑PFOS) with HDL-C. Cross-sectional analyses corroborated positive associations between the six PFAS compounds and TC at least three times, but the LDL-C and HDL-C associations were not confirmed. Summed perfluorooctane sulfonamide isomers (∑PFOSA) showed a negative association with LDL-C longitudinally, but this was not confirmed cross-sectionally. No associations were observed between PFAS and TG, longitudinally or cross-sectionally.
Conclusion
Concentrations of multiple PFAS were positively associated with blood lipids in longitudinal analyses, with the most consistent associations observed between six PFCA compounds and TC. These findings highlight the need for further investigation into these complex associations.
Elsevier
2025
Årsrapport 2024. Nasjonalt referanselaboratorium for luftkvalitetsmålinger
Denne rapporten oppsummerer oppgavene til Nasjonalt referanselaboratorium for luftkvalitetsmålinger (NRL), delkontrakt 1b, for året 2024.
NILU
2025
2025
American Chemical Society (ACS)
2025
This study examines the environmental impacts of urban growth in Warsaw since 2006 and models the implications of future urban development for traffic pollutant emissions and pollution levels. Our findings demonstrate that, over the past two decades, urban sprawl has resulted in decreases in accessibility to public transport, social services, and natural areas. We analyse CO2 traffic emissions, NO2 concentrations, and population exposure across urban areas in future scenarios of further sprawling or alternative compacting land-use development. Results indicate that a compact future scenario reduces transport CO2 emissions and urban NO2 levels, though increases in population density raise exposure to air pollution. A sprawl future scenario increases CO2 and NOx emissions due to longer commutes and congestion, and NO2 levels increase up to 25% in parts of the city. Several traffic abatement strategies were simulated, and in all simulations a compact city consistently yields the largest reductions in CO2 emissions and NO2 levels, implying that the best abatement strategy for combating negative consequences of sprawl is to reduce sprawling. In both city layouts, network-wide improvements of public transport travel times gave significantly reduced emissions. Combined, our findings highlight the importance of co-beneficial urban planning strategies to balance CO2 emissions reduction, and air pollution exposure in expanding cities.
Elsevier
2025
2025
Australia has significant sources of atmospheric methane (CH₄), driven by extensive coal and natural gas production, livestock, and large-scale fires. Accurate quantification and characterization of CH₄ emissions are critical for effective climate mitigation strategies in Australia. In this study, we employed an inverse analysis of atmospheric CH₄ observations from the GOSAT satellite and surface measurements from 2016 to 2021 to assess CH₄ emissions in Australia. The inversion process integrates anthropogenic and natural emissions as prior estimates, optimizing them with the NIES-TM-FLEXPART-variational model (NTFVAR) at a resolution of up to 0.1° × 0.1°. We validated the performance of our inverse model using data obtained from the United Nations Environment Program Methane Science (UNEP), Airborne Research Australia 2018 aircraft-based atmospheric CH₄ measurement campaigns. Compared to prior emission estimates, optimized emissions dramatically enhanced the accuracy of modeled concentrations, aligning them much better with observations. Our results indicate that the estimated inland CH4 emissions in Australia amount to 6.84 ± 0.51 Tg CH4 yr−1 and anthropogenic emissions amount to 4.20 ± 0.08 Tg CH4 yr−1, both slightly lower than the values reported in existing inventories. Moreover, our results unveil noteworthy spatiotemporal characteristics, such as upward corrections during the warm season, particularly in Southeastern Australia. During the three most severe months of the 2019–2020 bushfire season, emissions from biomass burning surged by 0.68 Tg, constituting over 71% of the total emission increase. These results highlight the importance of continuous observation and analysis of sectoral emissions, particularly near major sources, to guide targeted emission reduction strategies. The spatiotemporal characteristics identified in this study underscore the need for adaptive and region-specific approaches to CH₄ emission management in Australia.
2025
Permafrost is a considerable carbon reservoir harboring up to 1700 petagrams of carbon accumulated over millennia, which can be mobilized as permafrost thaws under global warming. Recent studies have highlighted that a fraction of this carbon can be transformed to atmospheric volatile organic compounds, which can affect the atmospheric oxidizing capacity and contribute to the formation of secondary organic aerosols. In this study, active layer soils from the seasonally unfrozen layer above the permafrost were collected from two distinct locations of the Greenlandic permafrost and incubated to explore their roles in the soil-atmosphere exchange of volatile organic compounds. Results show that these soils can actively function as sinks of these compounds, despite their different physiochemical properties. Upper active layer possessed relatively higher uptake capacities; factors including soil moisture, organic matter, and microbial biomass carbon were identified as the main factors correlating with the uptake rates. Additionally, uptake coefficients for several compounds were calculated for their potential use in future model development. Correlation analysis and the varying coefficients indicate that the sink was likely biotic. The development of a deeper active layer under climate change may enhance the sink capacity and reduce the net emissions of volatile organic compounds from permafrost thaw.
Springer Nature
2025
2025
Road traffic externalities are an important consequence of land-use and transport interactions and may be especially induced by their inefficient combinations. In this study, we integrate land-use, transport and emission modelling tools (the LUTEm framework) to assess how suburban expansion vs. inward densification scenarios influence journey parameters, road network performance and traffic emissions. Case-study simulations for Warsaw (Poland) underscore the negative consequences of suburban sprawl development, which are hardly mitigated by additional land-use or transport interventions, such as rebalancing of population-workplace distribution or road capacity reductions. On the other side, compact city development lowers global traffic congestion and emissions, but can also raise the risks of traffic externalities in central city area unless complemented with further interventions such as improved public transport attractiveness. This study aims to enrich the understanding of how integrating the land-use development and transport interventions can ultimately influence travel parameters and reduce urban road traffic externalities.
Elsevier
2025
HTAP3 Fires: towards a multi-model, multi-pollutant study of fire impacts
Open biomass burning has major impacts globally and regionally on atmospheric composition. Fire emissions include particulate matter, tropospheric ozone precursors, and greenhouse gases, as well as persistent organic pollutants, mercury, and other metals. Fire frequency, intensity, duration, and location are changing as the climate warms, and modelling these fires and their impacts is becoming more and more critical to inform climate adaptation and mitigation, as well as land management. Indeed, the air pollution from fires can reverse the progress made by emission controls on industry and transportation. At the same time, nearly all aspects of fire modelling – such as emissions, plume injection height, long-range transport, and plume chemistry – are highly uncertain. This paper outlines a multi-model, multi-pollutant, multi-regional study to improve the understanding of the uncertainties and variability in fire atmospheric science, models, and fires' impacts, in addition to providing quantitative estimates of the air pollution and radiative impacts of biomass burning. Coordinated under the auspices of the Task Force on Hemispheric Transport of Air Pollution, the international atmospheric modelling and fire science communities are working towards the common goal of improving global fire modelling and using this multi-model experiment to provide estimates of fire pollution for impact studies. This paper outlines the research needs, opportunities, and options for the fire-focused multi-model experiments and provides guidance for these modelling experiments, outputs, and analyses that are to be pursued over the next 3 to 5 years. The paper proposes a plan for delivering specific products at key points over this period to meet important milestones relevant to science and policy audiences.
2025