Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models

Aromatic hydrocarbons, including benzene, toluene, and xylenes, play an important role in atmospheric chemistry, but the associated chemical mechanisms are complex and uncertain. Sparing representation of this chemistry in models is needed for computational tractability. Here, we develop a new compact mechanism for aromatic chemistry (GC13) that captures current knowledge from laboratory and computational studies with only 17 unique species and 44 reactions. We compare GC13 to six other currently used mechanisms of varying complexity in box model simulations of environmental chamber data and diurnal boundary layer chemistry, and show that GC13 provides results consistent with or better than more complex mechanisms for oxygenated products (alcohols, carbonyls, dicarbonyls), ozone, and hydrogen oxide (HOx≡OH+HO2) radicals. Specifically, GC13 features increased radical recycling and increased ozone destruction from phenoxy–phenylperoxy radical cycling relative to other mechanisms. We implement GC13 into the GEOS-Chem global chemical transport model and find higher glyoxal yields and net ozone loss from aromatic chemistry compared with other mechanisms. Aromatic oxidation in the model contributes 23 %, 5 %, and 8 % of global glyoxal, methylglyoxal, and formic acid production, respectively, and has mixed effects on formaldehyde. It drives small decreases in global tropospheric OH (−2.2 %), NOx (≡NO+NO2; −3.7 %), and ozone (−0.8 %), but a large increase in NO3 (+22 %) from phenoxy–phenylperoxy radical cycling. Regional effects in polluted environments can be substantially larger, especially from the photolysis of carbonyls produced by aromatic oxidation, which drives large wintertime increases in OH and ozone concentrations.

In-vitro Acetylcholinesterase and antioxidant activity of Ficus dalhousie and Melissa parviflora Benth

Ficus dalhousie and Melissa parviflora Benth both plants have been used as Tranquiliser, Relaxants, Nervine tonic and Calming aids throughout the world. The present study was aimed to identify the antioxidant potential of the Ethyl acetate and Hydro alcoholic extract of these plants by in vitro methods. Anti-Alzheimer activity of the plant extract were screened by Acetylcholinesterase (AChE) inhibition and antioxidant by DPPH and Hydrogen oxide. The results of the assays were calculated by the percentage inhibition of these free radicals. In Acetylcholinesterase (AChE) assay inhibitory potentials of Ficus dalhousie exhibited 73.34 ± 1.12%, whereas in Melissa arviflora it was 86.88± 2.12%. In DPPH radical scavenging assay the percentage inhibition was 77.87 ± 2.02% in Ficus dalhousie and 76.92± 1.32% in Melissa arviflora. Hydrogen peroxide scavenging assay the percentage inhibition was 86.56 ± 1.05% in Ficus dalhousie and 80.75± 1.92% was in Melissa arviflora. In all the research assays, the extract showed a concentration dependent increase in free radical scavenging activity. The results revealed that the antioxidant effects of the plant extract might be due to the presence of phenol and flavonoid compounds.

Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models

Aromatic hydrocarbons (mainly benzene, toluene, and xylenes) play an important role in atmospheric chemistry but the associated chemical mechanisms are complex and uncertain. Spare representation of this chemistry in models is needed for computational tractability. Here we develop a new compact mechanism for aromatic chemistry (GC13) that captures current knowledge from laboratory and computational studies with only 17 unique species and 44 reactions. We compare GC13 to six other currently used mechanisms of varying complexity in box model simulations of environmental chamber data and diurnal boundary layer chemistry, and show that GC13 provides results consistent with or better than more complex mechanisms for oxygenated products (alcohols, carbonyls, dicarbonyls), ozone, and hydrogen oxide (HOx ≡ OH + HO2) radicals. GC13 features in particular increased radical recycling and increased ozone destruction from phenoxy-phenylperoxy radical cycling relative to other mechanisms. We implement GC13 into the GEOS-Chem global chemical transport model and find higher glyoxal yields and net ozone loss from aromatic chemistry compared to other mechanisms. Aromatic oxidation in the model contributes 23 %, 5 %, and 8 % of global glyoxal, methylglyoxal, and formic acid production respectively, and has mixed effects on formaldehyde. It drives small decreases in global tropospheric OH (−2.2 %), NOx (≡ NO + NO2; −3.7 %) and ozone (−0.8 %), but a large increase in NO3 (+22 %) from phenoxy-phenylperoxy radical cycling. Regional effects in polluted environments can be substantially larger, especially from photolysis of carbonyls produced by aromatic oxidation, which drives large wintertime increases in OH and ozone concentrations.

The effect of Forbush decreases on the polar-night HOx concentration

<div> <div> <div> <p>It is well-known that energetic particle precipitations during solar proton events increase ionization rates in the middle atmosphere enhancing the production of hydrogen oxide radicals (HOx) involved in the catalytic ozone destruction cycle. There are many studies where the contribution of energetic particles to the formation of hydrogen oxide radicals and ozone loss has been widely investigated. However, until now, there was no solid evidence that the reduction in galactic cosmic ray fluxes during a magnetic storm, known as Forbush-effect, directly and noticeably affects the polar-night stratospheric chemistry.<br>Here, the impact of the Forbush decrease on the behaviour of hydrogen oxide radicals was explored using the chemistry-climate model SOCOL.<br>We found that hydrogen oxide radical lost about half of its concentration over the polar boreal night stratosphere owing to a reduction in ionization rates caused by Forbush decreases after solar proton events occurred on 17 and 20 of January 2005. A robust response in ozone was not found. There is not any statistically significant response in (NOx) on Forbush decrease events as well as over summertime in the southern polar region.<br>The results of this study can be used to increase the veracity of ozone loss estimation if stronger Forbush events can have a place.</p> <p>Reference: Mironova I, Karagodin-Doyennel A and Rozanov E (2021) , The effect of Forbush decreases on the polar-night HOx concentration affecting stratospheric ozone. Front. Earth Sci. 8:618583. doi: 10.3389/feart.2020.618583</p> <p>https://www.frontiersin.org/articles/10.3389/feart.2020.618583/full</p> <p>The study was supported by the Russian Science Foundation grant (RSF project No. 20-67-46016).</p> </div> </div> </div>

The Effect of Forbush Decreases on the Polar-Night HOx Concentration Affecting Stratospheric Ozone

It is well-known that energetic particle precipitations during solar proton events increase ionization rates in the middle atmosphere enhancing the production of hydrogen oxide radicals (HOx) involved in the catalytic ozone destruction cycle. There are many studies where the contribution of energetic particles to the formation of hydrogen oxide radicals and ozone loss has been widely investigated. However, until now, there was no solid evidence that the reduction in galactic cosmic ray fluxes during a magnetic storm, known as Forbush-effect, directly and noticeably affects the polar-night stratospheric chemistry. Here, the impact of the Forbush decrease on the behavior of hydrogen oxide radicals was explored using the chemistry-climate model SOCOLv2. We found that hydrogen oxide radical lost about half of its concentration over the polar boreal night stratosphere owing to a reduction in ionization rates caused by Forbush decreases after solar proton events occurred on 17 and 20 of January 2005. The robust response in ozone was not found. There is not any statistically significant response in (NOx) on Forbush decrease events as well as over summer time in the southern polar region. The results of this study can be used to increase the veracity of ozone loss estimation if stronger Forbush events can have place.

Ozone chemistry on tidally locked M dwarf planets

ABSTRACT We use the Met Office Unified Model to explore the potential of a tidally locked M dwarf planet, nominally Proxima Centauri b irradiated by a quiescent version of its host star, to sustain an atmospheric ozone layer. We assume a slab ocean surface layer, and an Earth-like atmosphere of nitrogen and oxygen with trace amounts of ozone and water vapour. We describe ozone chemistry using the Chapman mechanism and the hydrogen oxide (HOx, describing the sum of OH and HO2) catalytic cycle. We find that Proxima Centauri radiates with sufficient UV energy to initialize the Chapman mechanism. The result is a thin but stable ozone layer that peaks at 0.75 parts per million at 25 km. The quasi-stationary distribution of atmospheric ozone is determined by photolysis driven by incoming stellar radiation and by atmospheric transport. Ozone mole fractions are smallest in the lowest 15 km of the atmosphere at the substellar point and largest in the nightside gyres. Above 15 km the ozone distribution is dominated by an equatorial jet stream that circumnavigates the planet. The nightside ozone distribution is dominated by two cyclonic Rossby gyres that result in localized ozone hotspots. On the dayside the atmospheric lifetime is determined by the HOx catalytic cycle and deposition to the surface, with nightside lifetimes due to chemistry much longer than time-scales associated with atmospheric transport. Surface UV values peak at the substellar point with values of 0.01 W m−2, shielded by the overlying atmospheric ozone layer but more importantly by water vapour clouds.