Polycyclic Aromatic Hydrocarbon (PAHs) molecules are attracting much attention in the astrophysical and astrochemical communities because of their ubiquitous presence in space due to their ability to survive in the harsh environmental conditions of the interstellar medium (ISM). The objective of this work is to provide gas phase, high-resolution spectroscopic data on the electronic and vibronic transitions of PAHs and their nitrogenated derivatives measured in astrophysically relevant conditions.

This Research Communication reports analysis of 37 compounds comprising polycyclic aromatic hydrocarbons (PAHs), organochlorine and organophosphate pesticides (OCPS and OPPS) in milk powder (one brand each of commercial infant formulae, follow-on formulae and baby formulae purchased from a local supermarket in Romania). The selected analytes were investigated using gas chromatography–mass spectrometry (GC-MS), gas chromatography with electron capture detector (GC-ECD) and gas chromatography with thermionic sensitive detection (GC-TSD). The estimated limits of detection for most target analytes were in the μg/kg level (range 0·001–0·320 µg/kg). The purpose of the study was to determine the selected analytes, to assess the exposure of babies and infants and to produce data for comparison with tolerable limits according to the European Union Regulations. In most of the samples the organochlorine pesticides values were under the limit of detection. Exceptions were heptachlor epoxide and endosulfan sulphate, the last of which was found in all analysed samples at low concentrations. We also found detectable levels of ethoprophos, parathion-methyl, chlorpyrifos, prothiofos, guthion, disulfoton and fenchlorphos in most of the analysed samples. Benzo[a]pyrene, which is used as an indicator for the presence of PAHs, was not detected in selected samples. The low level of exposure to contaminants indicates that there are no health risks for the infants and babies that consume this brand of milk powder formulae.

The ORGANIC experiment on EXPOSE-R spent 682 days outside the International Space Station, providing continuous exposure to the cosmic-, solar- and trapped-particle radiation background for fourteen samples: 11 polycyclic aromatic hydrocarbons (PAHs) and three fullerenes. The thin films of the ORGANIC experiment received, during space exposure, an irradiation dose of the order of 14 000 MJ m−2 over 2900 h of unshadowed solar illumination. Extensive analyses were performed on the returned samples and the results compared to ground control measurements. Analytical studies of the returned samples included spectral measurements from the vacuum ultraviolet to the infrared range and time-of-flight secondary ion mass spectrometry. Limited spectral changes were observed in most cases pointing to the stability of PAHs and fullerenes under space exposure conditions. Furthermore, the results of these experiments confirm the known trend in the stability of PAH species according to molecular structure: compact PAHs are more stable than non-compact PAHs, which are themselves more stable than PAHs containing heteroatoms, the last category being the most prone to degradation in the space environment. We estimate a depletion rate of the order of 85 ± 5% over the 17 equivalent weeks of continuous unshadowed solar exposure in the most extreme case tetracene (smallest, non-compact PAH sample). The insignificant spectral changes (below 10%) measured for solid films of large or compact PAHs and fullerenes indicate a high stability under the range of space exposure conditions investigated on EXPOSE-R.

Spectroscopic investigations of PAHs have been conducted for many years, commencing with solid and solution studies and more recently including gas phase characterisation of a broad range of different species. Through the development of new, efficient methods of production and more sensitive spectroscopic techniques, fresh data are becoming available for not only neutral species, but also for radicals, ions and clusters.

In the early 90's, C60+ was proposed as the carrier of two diffuse interstellar bands (DIBs) at 9577 and 9632 Å, but a firm identification still awaits gas-phase spectroscopic data. Neutral C60, on the other hand, was recently detected through its infrared emission bands in the interstellar medium and evolved stars. In this contribution, we present the detection of C60+ through its infrared vibrational bands in the NGC 7023 nebula, based on spectroscopic observations with the Spitzer space telescope, quantum chemistry calculation, and laboratory data from the literature. This detection supports the idea that C60+ could be a DIB carrier, and provides robust evidence that fullerenes exist in the gas-phase in the interstellar medium. Modeling efforts to design specific observations, combined with new gas-phase data, will be essential to confirm this proposal. A definitive attribution of the 9577 and 9632 Å DIBs to C60+ would represent a significant step forward in the field.

To study the interstellar chemical composition and interpret molecular observations, astrochemists have built chemical models over the years. Those models compute the composition of the gas and the icy mantles of interstellar grains taking in account a large number of processes, such as chemical reactions in the gas-phase, interactions with grain surfaces (sticking and evaporation) and chemical reactions at the surface of the grains. Those models rely on a number of parameters (physical parameters of the medium and intrinsic chemical parameters such as rate coefficients), which are estimated with an associated uncertainty. From a chemical point of view, those uncertainties are mainly due to an incomplete knowledge of the efficiency of the processes in the interstellar conditions. Many studies in the recent and past years have been undertaken to improve this knowledge, either using experimental or theoretical results in physico-chemistry.

The status of DIB research (Herbig 1995) has strongly advanced since the DIB conference in Boulder in 1994. In the same year we reported the discovery of two near IR diffuse bands coincident with C60+, that was confirmed in subsequent years. Since then a number of DIB observational studies have been published such as DIB surveys, measurements of DIB families, correlations and environment dependences as well as DIBs in extra-galactic sources. Resolved substructures were measured and compared to predicted rotational contours of large molecules. Polarisation studies provided constraints on possible carrier molecules and upper limits. DIBs carriers have been linked with several classes of organic molecules observed in the interstellar medium, in particular to the UIR bands (assigned to PAHs), the Extended Red Emission (ERE) or the recently detected Anomalous Microwave Emission (AME, assigned to spinning dust). In particular fullerenes and PAHs have been proposed to explain some DIBs and specific molecules were searched for in DIB spectra. DIB carriers could be present in various dehydrogenation and ionization states. Experiments in the laboratory and in space contribute to our understanding of the photo-stability of possible DIB carriers. In summary, the status of DIB research in the last 20 years has strongly advanced. We review DIB observational results and their interpretation and introduce the relevant plenary discussion.

The electronic spectroscopy of various polycyclic aromatic hydrocarbon (PAH) molecules has been studied in the laboratory at low temperatures using both molecular beam and matrix isolation spectroscopy techniques. While molecular beam spectra can be readily compared to astronomical observations, the band positions measured in Ne and Ar matrices are extrapolated to obtain rather good estimates for the same transitions in the gas phase. Absolute absorption cross sections are determined for gas-phase and matrix spectra by comparing them with calibrated solution spectra. All laboratory results are analyzed and discussed in view of the role that PAHs can play as carriers of the diffuse interstellar bands (DIBs). Our studies suggest that regular neutral PAHs are not responsible for any of the known strong DIBs.

Alkanes and polycyclic aromatic hydrocarbons were quantified in samples of coastal sediments along Fildes Peninsula, King George Island, South Shetland Islands, Antarctica, during the summers of 2005 and 2007. Quantification was done by using GC-MS and applying the EPA 3550B method. Individual polycyclic aromatic hydrocarbon (PAHs) concentrations were below 14.4 ng g-1 dry wt in 2005 and below 88.7 ng g-1 dry wt in 2007. Alkanes concentrations were higher than those of PAHs and ranged from 8 to 2236 ng g-1 dry wt in 2005 and from 53 to 745 ng g-1 dry wt in 2007. Results of total PAHs and alkanes were integrated along with base administrative and geographic maps in a GIS environment to determine the geographic extent of hydrocarbons detected. The largest concentrations were found in areas near research stations where total n-alkanes suggest petrogenic sources and where some diagnostic ratios suggest the presence of some PAHs produced by pyrogenic processes. Even if concentrations of hydrocarbons are low, they seem to be a result of increases in scientific activities, in the activities of the stable population, in the number of tourists, or a combination of theses factors.

Integrated palynological, organic and inorganic geochemical and petrographical methods have been used for deciphering the depositional redox conditions and character of organic matter of the Famennian Dasberg event horizon from the deep-shelf Kowala succession of the Holy Cross Mountains. The ages of the investigated samples have been established, using miospore data, as VF (Diducites versabilis–Grandispora famenensis) and LV (Retispora lepidophyta–Apiculiretusispora verrucosa) miospore Zones of the Middle/Upper Famennian. In the standard conodont zonation, this corresponds to the uppermost postera to lowermost praesulcata Zones. The presence of green sulphur bacteria biomarkers and dominance of small-sized framboids together with the presence of large framboids and low values of the U/Th ratio may indicate that during sedimentation of the lower Dasberg shale, intermittent anoxia occurred in the water column, or the anoxic conditions prevailed in the upper part of the water column, while the bottom waters were oxygenated, at least briefly. Deposition of the upper Dasberg shale was characterized by both bottom water and water column anoxia. The lack of acritarcha taxa from these intervals could have been due to anoxia in the photic zone. Moreover, organic content is high in those samples. There is no geochemical evidence for anoxia during sedimentation of the deposits sandwiched between the lower and upper Dasberg shales, or in the deposits which underlie and overlie both Dasberg shale horizons. The two discrete anoxic events are interpreted to be the result of major transgressions and the blooming of primary producers. Above the Dasberg shales, small fragments of charcoal and raised concentrations of polycyclic aromatic hydrocarbons are detected. This supports the presence of wildfires during deposition of shales just above the boundary of VF/LV palynological zones. Temperatures calculated from the fusinite reflectance values suggest that the charcoal was formed in low-temperature ground and/or surface fires. The typical marine character of sedimentation combined with the high proportion of charcoals suggests that wildfires were large-scale, and that there was intensive transport of terrestrial material. The main causes of intensive wildfires were a significant rise of O2 in the atmosphere and important progress in the land plant diversity during Late Devonian times. Palynofacies studies suggest that the transgression corresponds to the part IIf of the Late Devonian sea-level curve.

Admiralty Bay on the King George Island hosts the Brazilian, Polish and Peruvian research stations as well as the American and Ecuadorian field stations. Human activities in this region require the use of fossil fuels as an energy source, thereby placing the region at risk of hydrocarbon contamination. Hydrocarbon monitoring was conducted on water and sediment samples from the bay over 15 years. Fluorescence spectroscopy was used for the analysis of total polycyclic aromatic hydrocarbons (PAHs) in seawater samples and gas chromatography with flame ionization and/or mass spectrometric detection was used to analyse individual n-alkanes and PAHs in sediment samples. The results revealed that most sites contaminated by these compounds are around the Brazilian and Polish research stations due to the intense human activities, mainly during the summer. Moreover, the sediments revealed the presence of hydrocarbons from different sources, suggesting a mixture of the direct input of oil or derivatives and derived from hydrocarbon combustion. A decrease in PAH concentrations occurred following improvement of the sewage treatment facilities at the Brazilian research station, indicating that the contribution from human waste may be significant.