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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
American Geophysical Union (AGU)
2025
2025
Global greenhouse gas reconciliation 2022
n this study, we provide an update on the methodology and data used by Deng et al. (2022) to compare the national greenhouse gas inventories (NGHGIs) and atmospheric inversion model ensembles contributed by international research teams coordinated by the Global Carbon Project. The comparison framework uses transparent processing of the net ecosystem exchange fluxes of carbon dioxide (CO2) from inversions to provide estimates of terrestrial carbon stock changes over managed land that can be used to evaluate NGHGIs. For methane (CH4), and nitrous oxide (N2O), we separate anthropogenic emissions from natural sources based directly on the inversion results to make them compatible with NGHGIs. Our global harmonized NGHGI database was updated with inventory data until February 2023 by compiling data from periodical United Nations Framework Convention on Climate Change (UNFCCC) inventories by Annex I countries and sporadic and less detailed emissions reports by non-Annex I countries given by national communications and biennial update reports. For the inversion data, we used an ensemble of 22 global inversions produced for the most recent assessments of the global budgets of CO2, CH4, and N2O coordinated by the Global Carbon Project with ancillary data. The CO2 inversion ensemble in this study goes through 2021, building on our previous report from 1990 to 2019, and includes three new satellite inversions compared to the previous study and an improved managed-land mask. As a result, although significant differences exist between the CO2 inversion estimates, both satellite and in situ inversions over managed lands indicate that Russia and Canada had a larger land carbon sink in recent years than reported in their NGHGIs, while the NGHGIs reported a significant upward trend of carbon sink in Russia but a downward trend in Canada. For CH4 and N2O, the results of the new inversion ensembles are extended to 2020. Rapid increases in anthropogenic CH4 emissions were observed in developing countries, with varying levels of agreement between NGHGIs and inversion results, while developed countries showed a slowly declining or stable trend in emissions. Much denser sampling of atmospheric CO2 and CH4 concentrations by different satellites, coordinated into a global constellation, is expected in the coming years. The methodology proposed here to compare inversion results with NGHGIs can be applied regularly for monitoring the effectiveness of mitigation policy and progress by countries to meet the objectives of their pledges. The dataset constructed for this study is publicly available at https://doi.org/10.5281/zenodo.13887128 (Deng et al., 2024).
2025
Poor Indoor Environmental Quality (IEQ) in schools significantly impacts students’ well-being, learning capabilities, and health. Perceived dissatisfaction rates (PD%) among students often remain high, even when indoor environmental variables appear well-controlled. This study aims to predict perceived dissatisfaction rates (PD%) across multi-domain environmental factors—thermal, acoustic, visual, and indoor air quality (IAQ)—using machine learning (ML) models. The research integrates sensor-based environmental measurements, outdoor weather data, building parameters, and 1437 student survey responses collected from three classrooms in a Norwegian school across multiple seasons. Statistical tests were used to pre-select relevant input variables, followed by the development and evaluation of multiple ML algorithms. Among the tested ML models, Random Forest (RF) demonstrated the highest predictive accuracy for PD%, outperforming multi-linear regression (MLR) and decision trees (DT), with R² values up to 0.91 for overall IEQ dissatisfaction (PDIEQ%). SHAP analysis revealed key predictors: CO₂ levels, VOCs, humidity, temperature, solar radiation, and room window orientation. IAQ, thermal comfort, and acoustic environment were the most influential factors affecting students' perceived well-being. Despite limitations as implementation in building level scale, the study demonstrates the feasibility of deploying predictive ML models under real-world constraints for improving IEQ monitoring system. The findings support practical strategies for adaptive indoor environmental management, particularly in educational settings, and provide a replicable framework for future research. Future research can expand to other climates, buildings, measurements, occupant levels, and ML training optimization.
Elsevier
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
Potato plant disease detection: leveraging hybrid deep learning models
Agriculture, a crucial sector for global economic development and sustainable food production, faces significant challenges in detecting and managing crop diseases. These diseases can greatly impact yield and productivity, making early and accurate detection vital, especially in staple crops like potatoes. Traditional manual methods, as well as some existing machine learning and deep learning techniques, often lack accuracy and generalizability due to factors such as variability in real-world conditions. This study proposes a novel approach to improve potato plant disease detection and identification using a hybrid deep-learning model, EfficientNetV2B3+ViT. This model combines the strengths of a Convolutional Neural Network - EfficientNetV2B3 and a Vision Transformer (ViT). It has been trained on a diverse potato leaf image dataset, the “Potato Leaf Disease Dataset”, which reflects real-world agricultural conditions. The proposed model achieved an accuracy of 85.06, representing an 11.43 improvement over the results of the previous study. These results highlight the effectiveness of the hybrid model in complex agricultural settings and its potential to improve potato plant disease detection and identification.
BioMed Central (BMC)
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
Supervised Anomaly Detection in Univariate Time-Series Using 1D Convolutional Siamese Networks
In time-series data analysis, identifying anomalies is crucial for maintaining data integrity and ensuring accurate analyses and decision-making. Anomalies can compromise data quality and operational efficiency. The complexity of time-series data, with its temporal dependencies and potential non-stationarity, makes anomaly detection challenging but essential. Our research introduces ADSiamNet, a 1D Convolutional Neural Network-based Siamese network model for anomaly detection and rectification. ADSiamNet effectively identifies localized patterns in time-series data and smooths detected anomalies using a quantile-based technique. In tests with physical activity data from Actigraph watches and MOX2-5 sensors, ADSiamNet achieved accuracies of 98.65% and 85.0%, respectively, outperforming other supervised anomaly detection methods. The model uses a contrastive loss function to compare input sequences and adjusts network weights iteratively during training to recognize intricate patterns. Additionally, we evaluated various univariate time-series forecasting algorithms on datasets with and without anomalies. Results show that anomaly-smoothed data reduces forecasting errors, highlighting our approach’s effectiveness in enhancing time-series data analysis’s integrity and reliability. Future research will focus on multivariate time-series datasets.
IEEE (Institute of Electrical and Electronics Engineers)
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
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
More than 70 years of industrial production of per- and polyfluoroalkyl substances (PFAS) have resulted in their ubiquitous presence in the environment on a global scale, although differences in sources, transport and fate lead to variability of occurrence in the environment. Gull eggs are excellent bioindicators of environmental pollution, especially for persistent organic pollutants such as PFAS, known to bioaccumulate in organisms and to be deposited in bird eggs by maternal transfer. Using yellow-legged gull (Larus michahellis) eggs, we investigated the occurrence of more than 30 PFAS, including the most common chemicals (i.e., legacy PFAS) as well as their alternatives (i.e., emerging PFAS) in the Bay of Marseille, the second largest city in France. Compared to eggs from other colonies along the Mediterranean coast, those from Marseille had PFAS concentrations ranging from slightly higher to up to four times lower, suggesting that this area cannot be specifically identified as a hotspot for these compounds. We also found several emerging PFAS including 8:2 and 10:2 FTS, 7:3 FTCA or PFECHS in all collected eggs. Although the scarcity in toxicity thresholds for seabirds, especially during embryogenesis, does not enable any precise statement about the risks faced by this population, this study contributes to the effort in documenting legacy PFAS contamination on Mediterranean coasts while providing valuable novel inputs on PFAS of emerging concern. Identifying exposure in free-ranging species also participate to determine the main target for toxicity testing in wildlife.
Elsevier
2025
At the same time Arctic ecosystems experiences rapid climate change, at a rate four times faster than the global average, they remain burdened by long-range transported pollution, notably with legacy polychlorinated biphenyls (PCBs). The present study investigates the potential impact of climate change on seabird exposure to PCB-153 using the established Nested Exposure Model (NEM), here expanded with three seabird species, i.e. common eider (Somateria mollissima), black-legged kittiwake (Rissa tridactyla) and glaucous gull (Larus hyperboreus), as well as the filter feeder blue mussel (Mytulis edulis). The model's performance was evaluated using empirical time trends of the seabird species in Kongsfjorden, Svalbard, and using tissue concentrations from filter feeders along the northern Norwegian coast. NEM successfully replicated empirical PCB-153 concentrations, confirming its ability to simulate PCB-153 bioaccumulation in the studied seabird species within an order of magnitude. Based on global PCB-153 emission estimates, simulations run until the year 2100 predicted seabird blood concentrations 99% lower than in year 2000. Model scenarios with climate change-induced altered dietary composition and lipid dynamics showed to have minimal impact on future PCB-153 exposure, compared to temporal changes in primary emissions of PCB-153. The present study suggests the potential of mechanistic modelling in assessing POP exposure in Arctic seabirds within a multiple stressor context.
Royal Society of Chemistry (RSC)
2025
A case study of the effect of permafrost peat on fires in the Arctic using Sentinel-5P data
Elsevier
2025
prismAId is an open-source tool designed to streamline systematic literature reviews by leveraging generative AI models for information extraction. It offers an accessible, efficient, and replicable method for extracting and analyzing data from scientific literature, eliminating the need for coding expertise. Supporting various review protocols, including PRISMA 2020, prismAId is distributed across multiple platforms – Go, Python, Julia, R – and provides user-friendly binaries compatible with Windows, macOS, and Linux. The tool integrates with leading large language models (LLMs) such as OpenAI’s GPT series, Google’s Gemini, Cohere’s Command, and Anthropic’s Claude, ensuring comprehensive and up-to-date literature analysis. prismAId facilitates systematic reviews, enabling researchers to conduct thorough, fast, and reproducible analyses, thereby advancing open science initiatives.
2025
Citizen-operated low-cost air quality sensors (LCSs) have expanded air quality monitoring through community engagement. However, still challenges related to lack of semantic standards, data quality, and interoperability hinder their integration into official air quality assessments, management, and research. Here, we introduce FILTER, a geospatially scalable framework designed to unify, correct, and enhance the reliability of crowd-sourced PM2.5 data across various LCS networks. FILTER assesses data quality through five steps: range check, constant value detection, outlier detection, spatial correlation, and spatial similarity. Using official data, we modeled PM2.5 spatial correlation and similarity (Euclidean distance) as functions of geographic distance as benchmarks for evaluating whether LCS measurements are sufficiently correlated/consistent with neighbors. Our study suggests a −10 to 10 Median Absolute Deviation threshold for outlier flagging (360 h). We find higher PM2.5 spatial correlation in DJF compared to JJA across Europe while lower PM2.5 similarity in DJF compared to JJA. We observe seasonal variability in the maximum possible distance between sensors and reference stations for in-situ (remote) PM2.5 data correction, with optimal thresholds of ∼11.5 km (DJF), ∼12.7 km (MAM), ∼20 km (JJA), and ∼17 km (SON). The values implicitly reflect the spatial representativeness of stations. ±15 km relaxation for each season remains feasible when data loss is a concern. We demonstrate and validate FILTER's effectiveness using European-scale data originating from the two community-based monitoring networks, sensor.community and PurpleAir with QC-ed/corrected output including 37,085 locations and 521,115,762 hourly timestamps. Results facilitate uptake and adoption of crowd-sourced LCS data in regulatory applications.
Elsevier
2025
We have used the NASA Goddard Institute for Space Studies (GISS) Earth system model GISS-E2.1 to study the future budgets and trends of global and regional CH4 under different emission scenarios, using both the prescribed GHG concentrations as well as the interactive CH4 sources and sinks setup of the model, to quantify the model performance and its sensitivity to CH4 sources and sinks. We have used the Current Legislation (CLE) and the maximum feasible reduction (MFR) emission scenarios from the ECLIPSE V6b emission database to simulate the future evolution of CH4 sources, sinks, and levels from 2015 to 2050. Results show that the prescribed GHG version underestimates the observed surface CH4 concentrations during the period between 1995 and 2023 by 1%, with the largest underestimations over the continental emission regions, while the interactive simulation underestimates the observations by 2%, with the biases largest over oceans and smaller over the continents. For the future, the MFR scenario simulates lower global surface CH4 concentrations and burdens compared to the CLE scenario, however in both cases, global surface CH4 and burden continue to increase through 2050 compared to present day. In addition, the interactive simulation calculates slightly larger O3 and OH mixing ratios, in particular over the northern hemisphere, leading to slightly decreased CH4 lifetime in the present day. The CH4 forcing is projected to increase in both scenarios, in particular in the CLE scenario, from 0.53 W m−2 in the present day to 0.73 W m−2 in 2050. In addition, the interactive simulations estimate slightly higher tropospheric O3 forcing compared to prescribed simulations, due to slightly higher O3 mixing ratios simulated by the interactive models. While in the CLE, tropospheric O3 forcing continues to increase, the MFR scenario leads to a decrease in tropospheric O3 forcing, leading to a climate benefit. Our results highlight that in the interactive models, the response of concentrations are not necessarily linear with the changes in emissions as the chemistry is non-linear, and dependent on the oxidative capacity of the atmosphere. Therefore, it is important to have the CH4 sources and chemical sinks to be represented comprehensively in climate models.
IOP Publishing
2025
Unchanged PM2.5 levels over Europe during COVID-19 were buffered by ammonia
The coronavirus outbreak in 2020 had a devastating impact on human life, albeit a positive effect on the environment, reducing emissions of primary aerosols and trace gases and improving air quality. In this paper, we present inverse modelling estimates of ammonia emissions during the European lockdowns of 2020 based on satellite observations. Ammonia has a strong seasonal cycle and mainly originates from agriculture. We further show how changes in ammonia levels over Europe, in conjunction with decreases in traffic-related atmospheric constituents, modulated PM2.5. The key result of this study is a −9.8 % decrease in ammonia emissions in the period of 15 March–30 April 2020 (lockdown period) compared to the same period in 2016–2019, attributed to restrictions related to the global pandemic. We further calculate the delay in the evolution of the ammonia emissions in 2020 before, during, and after lockdowns, using a sophisticated comparison of the evolution of ammonia emissions during the same time periods for the reference years (2016–2019). Our analysis demonstrates a clear delay in the evolution of ammonia emissions of −77 kt, which was mainly observed in the countries that imposed the strictest travel, social, and working measures. Despite the general drop in emissions during the first half of 2020 and the delay in the evolution of the emissions during the lockdown period, satellite and ground-based observations showed that the European levels of ammonia increased. On one hand, this was due to the reductions in SO2 and NOx (precursors of the atmospheric acids with which ammonia reacts) that caused less binding and thus less chemical removal of ammonia (smaller loss – higher lifetime). On the other hand, the majority of the emissions persisted because ammonia mainly originates from agriculture, a primary production sector that was influenced very little by the lockdown restrictions. Despite the projected drop in various atmospheric aerosols and trace gases, PM2.5 levels stayed unchanged or even increased in Europe due to a number of reasons that were attributed to the complicated system. Higher water vapour during the European lockdowns favoured more sulfate production from SO2 and OH (gas phase) or O3 (aqueous phase). Ammonia first reacted with sulfuric acid, also producing sulfate. Then, the continuously accumulating free ammonia reacted with nitric acid, shifting the equilibrium reaction towards particulate nitrate. In high-free-ammonia atmospheric conditions such as those in Europe during the 2020 lockdowns, a small reduction in NOx levels drives faster oxidation toward nitrate and slower deposition of total inorganic nitrate, causing high secondary PM2.5 levels.
2025
A pooled analysis of host factors that affect nucleotide excision repair in humans
Oxford University Press
2025
Intrusion Detection Systems (IDS) are critical in safeguarding network infrastructures against malicious attacks. Traditional IDSs often struggle with knowledge representation, real-time detection, and accuracy, especially when dealing with high-throughput data. This paper proposes a novel IDS framework that leverages machine learning models, streaming data, and semantic knowledge representation to enhance intrusion detection accuracy and scalability. Additionally, the study incorporates the concept of Digital Sovereignty, ensuring that data control, security, and privacy are maintained according to national and regional regulations. The proposed system integrates Apache Kafka for real-time data processing, an automatic machine learning pipeline (e.g., Tree-based Pipeline Optimization Tool (TPOT)) for classifying network traffic, and OWL-based semantic reasoning for advanced threat detection. The proposed system, evaluated on NSL-KDD and CIC-IDS-2017 datasets, demonstrated qualitative outcomes such as local compliance, reduced data storage needs due to real-time processing, and improved adaptability to local data laws. Experimental results reveal significant improvements in detection accuracy, processing efficiency, and Sovereignty alignment.
Elsevier
2025
Personalized approaches are required for stroke management due to the variability in symptoms, triggers, and patient characteristics. An innovative stroke recommendation system that integrates automatic predictive analysis with semantic knowledge to provide personalized recommendations for stroke management is proposed by this paper. Stroke exacerbation are predicted and the recommendations are enhanced by the system, which leverages automatic Tree-based Pipeline Optimization Tool (TPOT) and semantic knowledge represented in an OWL Ontology (StrokeOnto). Digital sovereignty is addressed by ensuring the secure and autonomous control over patient data, supporting data sovereignty and compliance with jurisdictional data privacy laws. Furthermore, classifications are explained with Local Interpretable Model-Agnostic Explanations (LIME) to identify feature importance. Tailored interventions based on individual patient profiles are provided by this conceptual model, aiming to improve stroke management. The proposed model has been verified using public stroke dataset, and the same dataset has been utilized to support ontology development and verification. In TPOT, the best Variance Threshold + DecisionTree Classifier pipeline has outperformed other supervised machine learning models with an accuracy of 95.2%, for the used datasets. The Variance Threshold method reduces feature dimensionality with variance below a specified threshold of 0.1 to enhance predictive accuracy. To implement and evaluate the proposed model in clinical settings, further development and validation with more diverse and robust datasets are required.
Elsevier
2025
This study critically examines the workflow for untargeted analysis of volatile organic compounds (VOCs) in ambient air, from sampling strategies to data interpretation by using GC-HRMS. While untargeted approaches are well-established in liquid chromatography (LC) due to advanced-deconvolution tools and extensive metabolomic libraries, their application in gas chromatography (GC) remains less developed, particularly for VOCs. The high structural isomerism of VOCs and the relative novelty of GC-based untargeted methodologies present unique challenges, including limited software tools and reference libraries. Air samples from suburban and rural sites in central Italy were analyzed to explore chemical diversity and address methodological gaps. This study evaluates critical decisions, such as sampling strategies, extraction techniques, and data-processing workflows, highlighting the limitations of automated deconvolution tools and the need for manual validation. Results revealed distinct source contributions, with suburban areas showing higher levels of anthropogenic compounds and rural areas dominated by biogenic emissions. This work underscores the potential of GC-HRMS untargeted analysis to advance environmental chemistry, while addressing key pitfalls and providing practical recommendations for reliable application. By bridging methodological gaps, it offers a roadmap for future studies aiming to integrate untargeted and targeted approaches in air quality research.
MDPI
2025