Quasiclassical trajectories have been run for the title atmospheric reaction over the range of temperatures 5 ≤ T/K ≤ 3000 on a recently proposed single-sheeted double many-body expansion (DMBE) potential energy surface for ground-state N2O((1)A'). As typical in a capture-like reaction, the rate constant decreases with temperature for 50 ≤ T/K ≤ 800 K, while showing a small dependence at higher temperature regimes. At room temperature, it is predicted to have a value of (20.1 ± 0.2) × 10(-12) cm(3) s(-1). The calculated cross sections show a monotonic decay with temperature and translational energy. Good agreement with the experimental data has been observed, providing more realistic rate constants and hence support of enhanced accuracy for the DMBE potential energy surface with respect to other available forms.
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http://dx.doi.org/10.1021/jp408487y | DOI Listing |
Sci Total Environ
January 2025
School of the Environment, University of Queensland, QLD, Australia.
The transition to net zero emissions requires the capture of carbon dioxide from industrial point sources, and direct air capture (DAC) from the atmosphere for geological storage. Dissolved CO has reactivity to rock core, and while the majority of previous studies have concentrated on reservoir rock or cap-rock reactivity, the underlying seal formation may also react with CO. Drill core from the underlying seal of a target CO storage site was reacted at in situ conditions with pure CO, and compared with an impure CO stream with SO, NO and O that could be expected from hard to abate industries.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, Saitama University, Saitama City, Saitama 338-8570, Japan.
Rate coefficients for ion-polar-molecule reactions between acetonitrile molecules (CHCN) and nitrogen molecular ions (N), which are of importance to the upper atmospheric chemistry of Saturn's moon Titan, were measured for the first time at low translational temperatures. In the experiments, the reaction between sympathetically cooled N ions embedded in laser-cooled Ca Coulomb crystals and velocity-selected acetonitrile molecules generated using a wavy Stark velocity filter was studied to determine the reaction rate coefficients. Capture rate coefficients calculated by the Su-Chesnavich approach and by the perturbed rotational state theory considering the rotational state distribution of CHCN were compared to the experimental rate coefficients.
View Article and Find Full Text PDFERJ Open Res
January 2025
Department of Biochemistry and Molecular Biology B and Immunology, University of Murcia, Murcia, Spain.
Introduction: Exposure to environmental factors ( air pollution and second-hand tobacco smoke) have been associated with impaired lung function. However, the impact of environmental factors on lung health is usually evaluated separately and not with an exposomic framework. In this regard, breath analysis could be a noninvasive tool for biomonitoring of global human environmental exposure.
View Article and Find Full Text PDFMalar J
January 2025
Department of Epidemiology and Disease Control, School of Public Health, University of Ghana, Accra, Ghana.
Background: Acceptability of malaria chemoprevention interventions by caregivers is crucial for overall programme success. This study assessed coverage and acceptability of Seasonal Malaria Chemoprevention (SMC) in selected communities in the Northern part of Ghana.
Methods: An analytical cross-sectional design was conducted from "July 23rd to August 4th, 2020-a 12-day period that covered 5 days of the first SMC implementation cycle and 7 days post-implementation.
Nat Commun
January 2025
Department of Chemistry, University of Helsinki, Helsinki, Finland.
Secondary organic aerosols (SOAs) significantly impact Earth's climate and human health. Although the oxidation of volatile organic compounds (VOCs) has been recognized as the major contributor to the atmospheric SOA budget, the mechanisms by which this process produces SOA-forming highly oxygenated organic molecules (HOMs) remain unclear. A major challenge is navigating the complex chemical landscape of these transformations, which traditional hypothesis-driven methods fail to thoroughly investigate.
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