Ambient Levels of Carbonyl Compounds and Ozone in a Golf Course in Ciudad Real, Spain: A ProtoPRED QSAR (Eco) Toxicity Evaluation

It is well known that carbonyl compounds play an important role in air pollution and the formation of secondary pollutants, such as peroxyacetyl nitrates (PAN). Additionally, airborne carbonyls have been described as cytotoxic, mutagenic and carcinogenic. In this research, several carbonyl compounds, including aldehydes and ketones, as well as ozone, were monitored during a campaign conducted in July and September-October 2023 at Golf Ciudad Real, a golf course located in a non-industrial area of a south-central province in Spain. Extraction and analysis were carried out following procedures outlined by Radiello®. Analyses were performed using HPLC-DAD and UV-Visible spectrophotometry. Ozone shows seasonal variation (temperature-dependent) concentrations displaying lower values in September/October. Among all the identified carbonyls, butanal was the most abundant, accounting for 40% of the total concentration. The C1/C2 and C2/C3 ratios were also calculated to provide information about the main emissions sources of the analyzed carbonyl compounds, indicating that mainly anthropogenic sources contribute to air quality in the area. The data were further supported by Quantitative Structure-Activity Relationship (QSAR) models using the ProtoPRED online server, which employs in silico methods based on European Chemicals Agency (ECHA) regulations to assess the (eco)toxicity of the measured carbonyl compounds.