Published: Jan. 1, 2024
Language: Английский
Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 30, 2025
Non-targeted analysis (NTA) using high-resolution mass spectrometry without defined chemical targets has the potential to expand and improve monitoring in many fields. Despite rapid advancements within research community, NTA methods data remain underutilized by beneficiaries. To better understand barriers toward widespread adoption, Best Practices for Non-Targeted Analysis (BP4NTA) working group conducted focus meetings follow-up surveys with scientists (n = 61) from various sectors (e.g., drinking water utilities, epidemiologists, n 9) where is expected provide future value. Meeting participants included producers end-users of a wide range familiarity outputs. Discussions focused on identifying specific that limit adoption setting product development priorities. Stated priorities fell into four major categories: 1) education training materials; 2) QA/QC frameworks study design guidance; 3) accessible compound databases libraries; 4) linkages fate toxicity information. Based participant feedback, this manuscript proposes directions, such as standardization materials, BP4NTA other institutions can pursue use application scenarios decision contexts.
Language: Английский
Citations
2
Langmuir, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 6, 2025
Chloroethenes (C
Language: Английский
Citations
1
Journal of Environmental Sciences, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Language: Английский
Citations
1
Environmental Science & Technology Letters, Journal Year: 2023, Volume and Issue: 10(8), P. 680 - 685
Published: July 12, 2023
On February 3, 2023, a train carrying numerous hazardous chemicals derailed in East Palestine, OH, spurring temporary evacuation of residents and controlled burn some the cargo. Residents reported health symptoms, including headaches respiratory, skin, eye irritation. Initial data from U.S. Environmental Protection Agency (EPA) stationary air monitors indicated levels potential concern for toxics based on hazard quotient calculations. To provide complementary data, we conducted mobile quality sampling 20 21 using proton transfer reaction-mass spectrometry. Measurements were taken at 1 s intervals along routes designed to sample both close farther derailment. Mobile monitoring that average concentrations benzene, toluene, xylenes, vinyl chloride below minimal risk intermediate chronic exposures, similar EPA data. Levels acrolein high relative those other volatile organic compounds, with spatial analyses showing Palestine up 6 times higher than local rural background. Nontargeted identified additional unique compounds above background levels, displaying spatiotemporal patterns others exhibiting distinct hot spots. These initial findings warrant follow-up characterize longitudinal exposure levels.
Language: Английский
Citations
17
The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 15, 2025
Pillar[n]arenes have garnered popularity due to their unique pillar-shaped structure, which results in hydrophobic cavities. These cavities facilitate the formation of inclusion complexes with guest molecules through noncovalent interactions such as π–π stacking, hydrogen bonding, and van der Waals interactions. Such host–guest enable diverse functionalities pillar[n]arenes, including molecule recognition, self-assembly, encapsulation. Nevertheless, it is important note that properties pillar[n]arenes can be influenced by conformational changes, primarily driven rotation hydroquinone units about methylene bridge axis. structural changes lead variations underlying steric interactions, impacting overall stability system potentially leading selective uptake molecules. Additionally, relative energy differences, we expect a distribution pillar[n]arene conformations at thermal equilibrium. In this work, employ density functional theory evaluate ground-state electronic structures across various sizes functionalizations. We aimed explore impact dispersion on energetics determine dominant conformation 298 K using Boltzmann-weighted distribution. The strengths bonds been examined Bader's quantum atoms topological analysis. Furthermore, also assessed solvation water an implicit solvent model unveils quantitative distinctions bonding contributions among conformations. Finally, more complex groups primary amine, alkyl bromide, carboxylic acid studied interplay between dispersion, collective structure
Language: Английский
Citations
0
Big Data and Cognitive Computing, Journal Year: 2025, Volume and Issue: 9(4), P. 88 - 88
Published: April 5, 2025
Media platforms provide an effective way to gauge public perceptions, especially during mass disruption events. This research explores responses the 2023 Ohio train derailment event through Twitter, currently known as X, and Google Trends. It aims unveil sentiments attitudes by employing sentiment analysis using Valence Aware Dictionary Sentiment Reasoner (VADER) topic modeling Latent Dirichlet Allocation (LDA) on geotagged tweets across three phases of event: impact immediate response, investigation, recovery. Additionally, Self-Organizing Map (SOM) model is employed conduct time-series clustering search patterns, offering a deeper understanding into event’s spatial temporal society. The results reveal that perceptions related pollution in communities exhibited inverted U-shaped curve initial two both Twitter Search platforms. However, third phase, trends diverged. While awareness declined Search, it experienced uptick shift can be attributed governmental responses. Furthermore, topics discussions underwent transition phases, changing from focus causes fires evacuation strategies Phase 1, river trusteeship issues 2, finally converging government actions community safety 3. Overall, this study advances multi-platform multi-method framework uncover spatiotemporal dynamics perception disasters, actionable insights for real-time, region-specific crisis management.
Language: Английский
Citations
0
Environmental Monitoring and Assessment, Journal Year: 2025, Volume and Issue: 197(5)
Published: April 26, 2025
Abstract On February 3, 2023, a train carrying hazardous chemicals derailed in East Palestine, Ohio. Initial mobile air monitoring mid-February 2023 revealed unique spatiotemporal patterns for range of volatile organic compounds (VOCs). To determine long-term impacts on quality, two follow up campaigns were carried out March and April public roadways using proton transfer reaction time-of-flight mass spectrometer. This study aimed to characterize VOC distributions, identify hotspots, potential hazards. Concentrations targeted VOCs benzene, toluene, xylenes lower overall Palestine compared March. Overall, more ( n = 48) identified non-targeted analysis (NTA) with 30). Several these uniquely during sampling, among the commonly detected compounds, higher average concentrations observed background levels. Spatial similar hotspots benzene additional from NTA, including C 3 H 4 O, 8 6 12 O. Using EPA Hazard Comparison Dashboard, 49% 40% classified as “very high” or “high” hazards eye skin irritation, respectively. Notably, irritation common symptoms reported by residents near disaster site. Additionally, 29%, 18%, 14% genotoxicity/mutagenicity, acute inhalation toxicity, dermal Collectively, findings provide exposure data supportive health concerns demonstrate application coupled NTA novel approach rapid identification mapping potentially following an environmental disaster.
Language: Английский
Citations
0
Journal of Cleaner Production, Journal Year: 2025, Volume and Issue: unknown, P. 145695 - 145695
Published: May 1, 2025
Language: Английский
Citations
0
Journal of Exposure Science & Environmental Epidemiology, Journal Year: 2024, Volume and Issue: unknown
Published: May 6, 2024
Abstract Background On April 11th, 2023, the My Way Trading (MWT) recycling facility in Richmond, Indiana caught fire, mandating evacuation of local residents and necessitating U.S. Environmental Protection Agency (EPA) to conduct air monitoring. The EPA detected elevated levels plastic combustion-related pollutants, including hydrogen cyanide benzene. Objective We aimed identify these other volatile organic compounds (VOCs) present as well potential hazard each compound for various human health effects. Methods To VOCs, we conducted monitoring at sites within bordering zone using proton transfer reaction mass spectrometry (PTR-MS) non-targeted analysis (NTA). facilitate risk assessment emitted used Hazard Comparison Dashboard. Results identified 46 outside zone, with average detection above background measured Middletown, OH. Levels 4 VOCs were least 1.8-fold higher near incidence site comparison displayed unique temporal spatial patterns. had highest hazardous eye skin irritation, approximately 45% 39%, respectively, classified high very hazards endpoints. Notably, all VOC below thresholds set single exposures; however, exposure mixtures are currently unclear. Impact This study serves a proof-of-concept that PTR-MS coupled NTA can rapid identification following anthropogenic disasters. Furthermore, it demonstrates this approach may augment future disaster responses quantify additional complex combustion mixtures.
Language: Английский
Citations
1
Safety Science, Journal Year: 2024, Volume and Issue: 176, P. 106565 - 106565
Published: June 1, 2024
Language: Английский
Citations
1