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The Cloud-AerosoL InteractionS in the Helmos background TropOsphere (CALISHTO) campaign took place in autumn 2021 at the NCSR Demokritos background high-altitude Helmos Hellenic Atmospheric Aerosol & Climate Change station (HAC)2 to study the interactions between aerosols and clouds. The current study presents the chemical characterization of the Non-Refractory (NR) PM1 aerosol fraction using a Time-of-Flight Aerosol Chemical Speciation Monitor (ToF-ACSM). A comparative offline aerosol filter analysis by a High-Resolution Time-of-Flight Aerosol Mass Spectrometry (HR-ToF-AMS) showed consistent results regarding the species determined. Source apportionment applied on both datasets (ACSM-ToF and offline AMS analysis on filter extracts) yielded the same factors for the organic aerosol (one primary and two secondary factors). Additionally, the Positive Matrix Factorization (PMF) model was applied on the total PM1 fraction by the ToF-ACSM (including both organic and inorganic ions). Five different types were identified, including a primary organic factor, ammonium nitrate, ammonium sulphate, and two secondary organic aerosols; one more and one less oxidized. The prevailing atmospheric conditions at the station, i.e. cloud presence, influence from emissions from the Planetary Boundary Layer (PBL) and air mass origin were also incorporated in the study. The segregation between PBL and Free Troposphere (FT) conditions was made by combining data from remote sensing and in-situ measurement techniques. The types of air masses arriving at the site were grouped as continental, marine, dust and marine-dust based on back trajectories data. Significant temporal variability in the aerosol characteristics was observed throughout the campaign; in September, air masses from within the PBL were sampled most of the time, resulting in much higher mass concentrations compared to October and November when concentrations were reduced by a factor of 5. Both in-cloud and FT measurement periods resulted in much lower concentration levels, while similar composition was observed in PBL and FT conditions. We take advantage of using a recently developed "virtual filtering" technique to separate interstitial from activated aerosol sampled from a PM10 inlet during cloudy periods. This allows the determination of the chemical composition of the interstitial aerosol during in-cloud periods. Ammonium sulphate, the dominant PMF factor in all conditions, contributed more when air masses were arriving at (HAC)2 during Dust events, while higher secondary organic aerosol contribution was observed when air masses arrived from continental Europe. [ABSTRACT FROM AUTHOR]

Seasonal variability of non-refractory PM 1 (NR-PM 1) was studied at a rural background site (National Atmospheric Observatory Košetice – NAOK) in the Czech Republic to investigate the effect of regional and long-range atmospheric transport in central Europe. NR-PM 1 measurements were performed by compact time-of-flight aerosol mass spectrometry (C-ToF-AMS), and the chemically speciated mass size distributions, density, shape, and origin were discussed. Average PM 1 concentrations, calculated as the sum of the NR-PM 1 and the equivalent black carbon (eBC) concentrations measured by an aethalometer (AE), were 8.58 ± 3.70 µ g m -3 in summer and 10.08 ± 8.04 µ g m -3 in winter. Organics were dominant during both campaigns (summer/winter: 4.97 ± 2.92 / 4.55 ± 4.40 µ g m -3), followed by SO 42- in summer (1.68 ± 0.81/1.36 ± 1.38 µ g m -3) and NO 3- in winter (0.67 ± 0.38/2.03 ± 1.71 µ g m -3). The accumulation mode dominated the average mass size distribution during both seasons, with larger particles of all species measured in winter (mode diameters: Org: 334 / 413 nm, NO 3- : 377/501 nm, SO 42- : 400 / 547 nm, and NH 4+ : 489 / 515 nm) indicating regional and long-range transport. However, since the winter aerosols were less oxidized than the summer aerosols (comparing fragments f44 and f43), the importance of local sources in the cold part of the year was still enough to be considered. Although aged continental air masses from the south-east (SE) were rare in summer (7 %), they were related to the highest concentrations of PM 1 , eBC, and all NR-PM 1 species, especially SO 42- and NH 4+. In winter, slow continental air masses from the south-west (SW) (44 %) were linked to inversion conditions over central Europe and were associated with the highest concentrations among all NR-PM 1 species as well as PM 1 and eBC. Average PM 1 material density (ρm) corresponded to higher inorganic contents in both seasons (summer: ∼ 1.30 g cm -3 and winter: ∼ 1.40 g cm -3). During episodes of higher mass concentrations ρm ranged from 1.30–1.40 g cm -3 in summer and from 1.30–1.50 g cm -3 in winter. The dynamic shape factors (χ) decreased slightly with particle mobility diameter (Dm) in both seasons. This study provides insights into the seasonal effects and air mass variability on aerosol particles, focusing on episodes of high mass and number concentrations measured at a central European rural background site. [ABSTRACT FROM AUTHOR]

Background: Sand flies are principal vectors of the protozoan parasites Leishmania spp. and are widely distributed in all warmer regions of the world, including the Mediterranean parts of Europe. In Central European countries, the sand fly fauna is still under investigation. Phlebotomus mascittii, a suspected but unproven vector of Leishmania infantum, is regarded as the most widely distributed species in Europe. However, many aspects of its biology and ecology remain poorly known. The aim of this study was to provide new data on the biology and ecology of Ph. mascittii in Austria to better understand its current distribution and potential dispersal. Methods: Sand flies were collected by CDC light traps at four localities in Austria for 11 (2018) and 15 weeks (2019) during the active sand fly season. Climatic parameters (temperature, relative humidity, barometric pressure and wind speed) were retrospectively obtained for the trapping periods. Sand flies were identified by a combined approach (morphology, DNA barcoding, MALDI-TOF protein profiling), and blood meals of engorged females were analysed by DNA sequencing and MALDI-TOF mass spectrometry. Results: In total, 450 individuals of Ph. mascittii were caught. Activity was observed to start at the beginning of June and end at the end of August with peaks in mid-July at three locations and early August at one location. Increased activity was associated with relatively high temperatures and humidity. Also, more individuals were caught on nights with low barometric pressure. Analysis of five identified blood meals revealed chicken (Gallus gallus) and equine (Equus spp.) hosts. Sand fly abundance was generally associated with availability of hosts. Conclusion: This study reports unexpectedly high numbers of Ph. mascittii at selected Austrian localities and provides the first detailed analysis of its ecology to date. Temperature and humidity were shown to be good predictors for sand fly activity. Blood meal analyses support the assumption that Ph. mascittii feeds on mammals as well as birds. The study significantly contributes to understanding the ecology of this sand fly species in Central Europe and facilitates prospective entomological surveys. [ABSTRACT FROM AUTHOR]

The invasive ascomycete Hymenoscyphus fraxineus has been threatening Fraxinus excelsior populations throughout Europe for over two decades. Since the infection and first colonization by the pathogen occurs in leaves, leaf-colonizing microorganisms have been discussed as a barrier and as possible biocontrol agents against the disease. To identify fungal groups with health-supporting potential, we compared the fungal microbiota of compound leaves from susceptible and tolerant ash trees in four ash stands with high H. fraxineus exposure. The fungal communities were analyzed both culture-independently by ITS2 amplicon sequencing and by the taxonomic classification of 1,704 isolates using matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF MS) or sequencing of the entire ITS region. The fungal community structure did not show significant differences depending on the health status. However, for several OTUs and a MALDI group, a significantly higher abundance was found in tolerant ash trees. Thus, the yeast Papiliotrema flavescens was significantly increased and accounted for 12.3% of the mycobiome of tolerant ashes (OTU0003), and it had also a distinctly higher abundance among the isolates. The filamentous ascomycete Sarocladium strictum was increased 24-fold among the isolates of tolerant trees, but its abundance was comparably low. An in vitro screening for the growth inhibition of the pathogen via cocultivation resulted in 28 yeast-like isolates and 79 filamentous fungi with antagonistic activity. A statistical cocultivation test on two H. fraxineus strains confirmed six of the yeast-like isolates that suppressed H. fraxineus significantly, from 39–50%, two of them through a fungicidal effect. The highest inhibition rates among the yeasts were found for three isolates belonging to Aureobasidium pullulans and P. flavescens. The cocultivation test of the filamentous isolates revealed higher effects compared to the yeasts. Four isolates showed significant inhibition of both H. fraxineus strains with a rate of 72–100%, and five further isolates inhibited only one H. fraxineus strain significantly. The most effective isolates were members of the genus Cladosporium. During the next step, in planta tests will be necessary to verify the efficacy of the antagonistic isolates and to assess their suitability as biocontrol agents. [ABSTRACT FROM AUTHOR]

High-quality diagnosis of bloodstream infections (BSI) is important for successful patient management. As knowledge on current practices of microbiological BSI diagnostics is limited, this project aimed to assess its current state in European microbiological laboratories. We performed an online questionnaire-based cross-sectional survey comprising 34 questions on practices of microbiological BSI diagnostics. The ESCMID Study Group for Bloodstream Infections, Endocarditis and Sepsis (ESGBIES) was the primary platform to engage national coordinators who recruited laboratories within their countries. Responses were received from 209 laboratories in 25 European countries. Although 32.5% (68/209) of laboratories only used the classical processing of positive blood cultures (BC), two-thirds applied rapid technologies. Of laboratories that provided data, 42.2% (78/185) were able to start incubating BC in automated BC incubators around-the-clock, and only 13% (25/192) had established a 24-h service to start immediate processing of positive BC. Only 4.7% (9/190) of laboratories validated and transmitted the results of identification and antimicrobial susceptibility testing (AST) of BC pathogens to clinicians 24 h/day. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry from briefly incubated sub-cultures on solid media was the most commonly used approach to rapid pathogen identification from positive BC, and direct disc diffusion was the most common rapid AST method from positive BC. Laboratories have started to implement novel technologies for rapid identification and AST for positive BC. However, progress is severely compromised by limited operating hours such that current practice of BC diagnostics in Europe complies only partly with the requirements for optimal BSI management. [ABSTRACT FROM AUTHOR]

Abstract Chlorinated paraffins (CPs) are high-volume chemicals used in numerous industrial applications. Their quantitative analysis is extremely challenging and this work presents the optimization of an analytical method based on gas chromatography hyphenated with electron capture negative ionization time-of-flight high-resolution mass spectrometry (GC-ECNI-TOF HRMS) for the simultaneous determination of short-chain and medium-chain CPs (SCCPs and MCCPs, respectively) in fish tissues (i.e. dorsal muscle). The resolution of the TOF-MS analyzer reduced or eliminated isobaric interferences and the CP response was optimized through Design of Experiment. A simple clean-up procedure based on adsorption chromatography further removed some potentially interfering organochlorines. Good selectivity, linearity and accuracy were achieved; method detection limits or limits of reporting were compatible with expected levels in wild fish (0.03–0.35 ng g−1 wet weight, ww, depending on the congener). This method was proven suitable for the analysis of CPs in tissues of common barbel Barbus , a fish species frequently used for water quality monitoring purposes in Europe. SCCPs and MCCPs were found to be widespread within the Rhône river basin (France). At all locations, MCCP concentrations (1.3–72.7 ng g−1 ww) were higher than those of SCCPs (0.3–10.6 ng g−1 ww) and levels were systematically lower than the proposed Predicted No Effect Concentrations (PNECs). Spatial variations of SCCP composition profiles largely surpassed those of MCCPs, suggesting the influence of local sources. Highlights • GC-ECNI-TOF HRMS allowed for the quantitative analysis of SCCPs and MCCPs in fish. • SCCPs and MCCPs were ubiquitous in the Rhône River basin. • MCCP concentrations exceeded those of SCCPs at all locations. • SCCP composition profile was variable, pointing to the influence of local sources. • CP levels in fish were systematically lower than the proposed PNECs. [ABSTRACT FROM AUTHOR]

Cronobacter sakazakii has been documented as a cause of life-threating infections, predominantly in neonates. We conducted a multicenter study to assess the occurrence of C. sakazakii across Europe and the extent of clonality for outbreak detection. National coordinators representing 24 countries in Europe were requested to submit all human C. sakazakii isolates collected during 2017 to a study center in Austria. Testing at the center included species identification by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry, subtyping by whole-genome sequencing (WGS), and determination of antimicrobial resistance. Eleven countries sent 77 isolates, including 36 isolates from 2017 and 41 historical isolates. Fifty-nine isolates were confirmed as C. sakazakii by WGS, highlighting the challenge of correctly identifying Cronobacter spp. WGS-based typing revealed high strain diversity, indicating absence of multinational outbreaks in 2017, but identified 4 previously unpublished historical outbreaks. WGS is the recommended method for accurate identification, typing, and detection of this pathogen. [ABSTRACT FROM AUTHOR]

New psychoactive substances (NPS) are synthetic derivatives of illicit drugs designed to mimic their psychoactive effects. NPS are typically not controlled under drug acts or their legal status depends on their molecular structure. Discriminating isomeric forms of NPS is therefore crucial for forensic laboratories. In this study, a trapped ion mobility spectrometry time-of-flight mass spectrometry (TIMS-TOFMS) approach was developed for the identification of ring-positional isomers of synthetic cathinones, a class of compounds representing two-third of all NPS seized in Europe in 2020. The optimized workflow features narrow ion-trapping regions, mobility calibration by internal reference, and a dedicated data-analysis tool, allowing for accurate relative ion-mobility assessment and high-confidence isomer identification. Ortho-, meta- and para-isomers of methylmethcathinone (MMC) and bicyclic ring isomers of methylone were assigned based on their specific ion mobilities within 5 min, including sample preparation and data analysis. The resolution of two distinct protomers per cathinone isomer added to the confidence in identification. The developed approach was successfully applied to the unambiguous assignment of MMC isomers in confiscated street samples. These findings demonstrate the potential of TIMS-TOFMS for forensic case work requiring fast and highly-confident assignment cathinone-drug isomers in confiscated samples. [Display omitted] • Novel TIMS-TOFMS approach developed for the separation of ring-positional isomers. • Identification of ring-positional isomers based on distinct protomer mobilities. • Unambiguous identification of ring-positional isomers of cathinones within 5 min. • TIMS-TOFMS approach successfully identified cathinone isomers in case samples. [ABSTRACT FROM AUTHOR]

Alkylamines are associated with both natural and anthropogenic sources and have been detected in ambient aerosol in a variety of environments. However, little is known about the ubiquity or relative abundance of these species in Europe. In this work, ambient single-particle mass spectra collected at five sampling sites across Europe have been analysed for their alkylamine content. The aerosol time-of-flight mass spectrometer (ATOFMS) data used were collected in Ireland (Cork), France (Paris, Dunkirk and Corsica) and Switzerland (Zurich) between 2008 and 2013. Each dataset was queried for mass spectral marker ions associated with the following ambient alkylamines: dimethylamine (DMA), trimethylamine (TMA), diethylamine (DEA), triethylamine (TEA), dipropylamine (DPA) and tripropylamine (TPA). The fraction of ambient particles that contained detectable alkylamines ranged from 1 to 17 % depending on location, with the highest fractions observed in Paris and Zurich in the winter months. The lowest fractions were observed at coastal sites, where the influence of animal husbandry-related alkylamine emissions is also expected to be lowest. TMA was the most ubiquitous particle phase alkylamine detected and was observed at all locations. Alkylamines were found to be internally mixed with both sulphate and nitrate for each dataset, suggesting that aminium salt formation may be important at all sites investigated. Interestingly, in Corsica, all alkylamine particles detected were also found to be internally mixed with methanesulphonic acid (MSA), indicating that aminium methanesulphonate salts may represent a component of marine ambient aerosol in the summer months. Internal mixing of alkylamines with sea salt was not observed, however. Alkylamine-containing particle composition was found to be reasonably homogeneous at each location, with the exception of the Corsica and Dunkirk sites, where two and four distinct mixing states were observed, respectively. [ABSTRACT FROM AUTHOR]

Abstract: Fire blight, a bacteriosis of apple and pear, was assayed with molecular tools to associate its origin in Russia, Slovenia and south-eastern Austria with neighboring countries. The identification of all investigated strains was confirmed by MALDI-TOF mass spectroscopy except one. Independent isolation was verified by the level of amylovoran synthesis and by the number of short sequence DNA repeats in plasmid pEA29. DNA of gently lysed E. amylovora strains from Russia, Slovenia, Austria, Hungary, Italy, Spain, Croatia, Poland, Central Europe and Iran was treated with restriction enzymes XbaI and SpeI to create typical banding patterns for PFGE analysis. The pattern Pt2 indicated that most Russian E. amylovora strains were related to strains from Turkey and Iran. Strains from Slovenia exhibited patterns Pt3 and Pt2, both present in the neighboring countries. Strains were also probed for the recently described plasmid pEI70 detected in Pt1 strains from Poland and in Pt3 strains from other countries. The distribution of pattern Pt3 suggests distribution of fire blight from Belgium and the Netherlands to Central Spain and Northern Italy and then north to Carinthia. The PFGE patterns indicate that trade of plants may have introduced fire blight into southern parts of Europe proceeded by sequential spread. [Copyright &y& Elsevier]

Abstract: While a plethora of regulation is available for pesticide control in fruits, vegetables, baby food or drinking water, scarce attention is still devoted to derivate products, which may contain these commodities as an ingredient, such as fruit-based soft drinks. A recent study () revealed the presence of relatively large concentrations of pesticides on a study carried out on 100 fruit-based soft drink samples, purchased from 15 different countries. In this work, a follow-up study on the occurrence of multiclass pesticides in fruit-based soft drinks is presented. This new monitoring program was undertaken on fruit-based soft drink samples from different European Union countries and also from Morocco. To accomplish the monitoring program, a liquid chromatography electrospray time-of-flight mass spectrometry method was used for the determination of 30 representative multiclass pesticides in fruit-based soft drinks, including the most frequently detected post-harvest fungicides. Sample treatment was based on solid-phase extraction (SPE) using polymer-based SPE cartridges. The identification and confirmation of the compounds was based on retention time and accurate mass measurements of the protonated molecules ([M + H]+) and their main fragment ions. Isotopic profile was also used for the confirmation of compounds containing halogen atoms in their structure (e.g. imazalil, prochloraz). The proposed method was successfully applied to 94 fruit-based soft drink samples obtained during 2009–2010 from 10 European countries and from Morocco. Residues of up to eleven different pesticides were detected. As in the previous studies, soft drink samples addressed pesticide residues in the μg L−1 concentration level (from 0.1 to 36.1 μg L−1), particularly from post-harvest fungicides that are usually present in the peel of citrus fruits (carbendazim, imazalil, imazalil metabolite, prochloraz, thiabendazole and buprofezin). Therefore, the exposure to these chemicals through these beverages still remains (90% of positive samples in the present study) and unambiguous specific regulations are still to be established. [Copyright &y& Elsevier]

Rowanberries (Sorbus aucuparia) are omnipresent in Europe. The medicinal importance of rowanberries is widely known and corresponds to the active ingredients present in the fruits, mainly polyphenols, carotenoids, and organic acids. In the current study, we explored rowanberries for the reduction of gold and silver salts into nanoparticles. Rowanberries-mediated gold nanoparticles (RB-AuNPs) formed within 5 s at room temperature, and silver nanoparticles (RB-AgNPs) formed in 20 min at 90 °C. The produced nanoparticles were thoroughly characterized by UV-Vis spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray (EDX), transmission electron microscopy (TEM), dynamic light scattering (DLS), single-particle inductively coupled plasma–mass spectrometry (sp-ICP-MS), thermogravimetric analysis (TGA), Fourier transform-infrared spectroscopy (FT-IR) and matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF). The characterization confirmed that the nanoparticles are highly monodisperse, spherical, stable over long periods, and exhibit a high negative zeta potential values. The produced RB-AuNPs and RB-AgNPs were 90–100 nm and 20–30 nm in size with a thick biological corona layer surrounding them, providing extreme stability but lowering the antimicrobial activity. The antimicrobials study of RB-AgNPs revealed that the nanoparticles have antimicrobial potential with an MBC value of 100 µg/mL against P. aeruginosa and 200 µg/mL against E. coli. [ABSTRACT FROM AUTHOR]

The effect of metal exposure on the accumulation and cytosolic speciation of metals in livers of wild populations of European eel with special emphasis on metallothioneins (MT) was studied. Four sampling sites in Flanders showing different degrees of heavy metal contamination were selected for this purpose. An on-line isotope dilution method in combination with size exclusion (SE) high pressure liquid chromatography (HPLC) coupled to Inductively Coupled Plasma time-of-flight Mass Spectrometry (ICP-TOFMS) was used to study the cytosolic speciation of the metals. The distribution of the metals Cd, Cu, Ni, Pb and Zn among cytosolic fractions displayed strong differences. The cytosolic concentration of Cd, Ni and Pb increased proportionally with the total liver levels. However, the cytosolic concentrations of Cu and Zn only increased above a certain liver tissue threshold level. Cd, Cu and Zn, but not Pb and Ni, were largely associated with the MT pool in correspondence with the environmental exposure and liver tissue concentrations. Most of the Pb and Ni and a considerable fraction of Cu and Zn, but not Cd, were associated to High Molecular Weight (HMW) fractions. The relative importance of the Cu and Zn in the HMW fraction decreased with increasing contamination levels while the MT pool became progressively more important. The close relationship between the cytosolic metal load and the total MT levels or the metals bound on the MT pool indicates that the metals, rather than other stress factors, are the major factor determining MT induction. [Copyright &y& Elsevier]

Simple Summary: Recent globalization of trade and travel has led to the introduction of exotic insects into Europe, including the brown marmorated stink bug (Halyomorpha halys)—a highly polyphagous pest with more than 200 host plants, including many agricultural crops. Unfortunately, farmers and crop-protection advisers finding egg masses of stink bugs during crop scouting frequently struggle to identify correctly the species based on their egg masses, and easily confuse eggs of the invasive H. halys with those of other (native) species. To this end, we have investigated using matrix-assisted laser desorption and ionization time-of-flight mass spectrometry (MALDI-TOF MS) for rapid, fieldwork-compatible, and low-reagent-cost discrimination between the eggs of native and exotic stink bugs. In the current paper, we used a method based on stink bug egg-protein immobilization on filter paper by drying, followed by post-(storage and shipping) extraction in acidified acetonitrile containing matrix, to discriminate between nine different species using MALDI-TOF MS. We obtained 87 correct species-identifications in 87 blind tests using this method. With further processing of the unblinded data, the highest average Bruker score for each tested species was that of the cognate reference species, and the observed differences in average Bruker scores were generally large and the errors small except for Capocoris fuscispinus, Dolycoris baccarum, and Graphosoma italicum, where the average scores were lower and the errors higher relative to the remaining comparisons. While we observed clear discrimination between the nine species using this method, Halyomorpha halys and Piezodorus lituratus were more spectrally related than the other pairwise comparisons. [ABSTRACT FROM AUTHOR]

• Protonated medetomidine is photostable, while the neutral form exhibits reactivity. • Medetomidine reacts with singlet oxygen via cycloaddition reactions. • Medetomidine is not persistent in natural sunlit sea water conditions. • Several photoproducts show plausible persistence in aquatic environment. Medetomidine has been authorized in ship hull paints as an antifouling biocide under the biocidal product regulation in Europe since 2016. Its release into marine systems causes concerns over persistence and toxicity. However, the environmental fate of medetomidine has not been fully investigated. In this study, the photodegradation of medetomidine under natural sunlight conditions was investigated using collected coastal and sea waters. In addition, the phototransformation of medetomidine with reactive species (i.e., singlet oxygen, excited triplet state organic matter, and hydroxyl radicals) under UVA light was examined. Photoproducts were isolated by high-performance liquid chromatography (HPLC), identified by a combination of nuclear magnetic resonance (NMR) spectroscopy and time-of-flight mass spectrometry (qTOF), and reaction mechanisms were proposed. The results show that medetomidine is a neutral base (p K a of protonated form = 7.2) that leads to two different protonation states in the aquatic environment. Photodegradation of neutral medetomidine was dominated by reaction with singlet oxygen, while protonated medetomidine was relatively photostable. The contribution of reactive species to the overall photodegradation of neutral medetomidine was calculated to provide an assessment of phototransformation of medetomidine. The half-live of medetomidine was < 1.5 days in natural waters (pH coastal = 8.3; pH sea = 8.1) under sunlit near-surface conditions, suggesting that it is not persistent in the aquatic environment. Because medetomidine has a relatively short half-life in sunlit aquatic ecosystems, a number of products, such as 2-(2,3-dimethylphenyl)propanamide, can be formed by photochemical reactions of medetomidine, with unknown consequences for marine and coastal waters. Image, graphical abstract [ABSTRACT FROM AUTHOR]

Subgenus Perovskia of the extended genus of Salvia comprises several Central Asian medicinal and aromatic species, of which S. yangii and S. abrotanoides are the most widespread. These plants are cultivated in Europe as robust ornamentals, and several cultivars are available. However, their medicinal potential remains underutilized because of limited information about their phytochemical and genetic diversity. Thus, we combined an ultra-high performance liquid chromatography quadrupole time of flight mass spectrometry (UHPLC-QTOF-MS) based metabolomics with DNA barcoding approach based on trnH-psbA and ITS2 barcodes to clarify the relationships between these two taxa. Metabolomic analysis demonstrated that aerial parts are more similar than roots and none of the major compounds stand out as distinct. Sugiol in S. yangii leaves and carnosic acid quinone in S. abrotanoides were mostly responsible for their chemical differentiation, whereas in roots the distinction was supported by the presence of five norditerpenoids in S. yangii and two flavonoids and one norditerpenoid in S. abrotanoides. To verify the metabolomics-based differentiation, we performed DNA authentication that revealed S. yangii and S. abrotanoides to be very closely related but separate species. We demonstrated that DNA barcoding coupled with parallel LC-MS profiling constitutes a powerful tool in identification of taxonomically close Salvia species. [ABSTRACT FROM AUTHOR]

Saprochaete clavata and Saprochaete capitata are emerging fungal pathogens that are responsible for life threatening infections in immunocompromised patients, particularly in the setting of profound neutropenia. They have been associated with multiple hospital outbreaks mainly in Europe. In this article, we present a comprehensive review of the epidemiology, clinical presentation, diagnosis, antifungal susceptibility and treatment of these organisms. The diagnosis of invasive Saprochaete disease is challenging and relies primarily on the isolation of the fungi from blood or tissue samples. Both species are frequently misidentified as they are identical macroscopically and microscopically. Internal transcribed spacer sequencing and matrix-assisted laser desorption ionization-time of flight mass spectrometry are useful tools for the differentiation of these fungi to a species level. Saprochaete spp. are intrinsically resistant to echinocandins and highly resistant to fluconazole. Current literature suggests the use of an amphotericin B formulation with or without flucytosine for the initial treatment of these infections. Treatment with extended spectrum azoles might be promising based on in vitro minimum inhibitory concentration values and results from case reports and case series. Source control and recovery of the immune system are crucial for successful therapy. [ABSTRACT FROM AUTHOR]

Omeprazole is one of the world-wide most consumed pharmaceuticals for treatment of gastric diseases. As opposed to other frequently used pharmaceuticals, omeprazole is scarcely detected in urban wastewaters and environmental waters. This was corroborated in a previous research, where parent omeprazole was not detected while four transformation products (TPs), mainly resulting from hydrolysis, were found in effluent wastewaters and surface waters. However, the low abundance of omeprazole TPs in the water samples together with the fact that omeprazole suffers an extensive metabolism, with a wide range of excretion rates (between 0.01 and 30%), suggests that human urinary metabolites should be investigated in the water environment. In this work, the results obtained in excretion tests after administration of a 40 mg omeprazole dose in three healthy volunteers are reported. Analysis by liquid chromatography coupled to hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF MS) reported low concentrations of omeprazole in urine. Up to twenty-four omeprazole metabolites (OMs) were detected and tentatively elucidated. The most relevant OM was an omeprazole isomer, which obviously presented the same exact mass (m/z 346.1225), but also shared a major common fragment at m/z 198.0589. Subsequent analyses of surface water and effluent wastewater samples by both LC-QTOF MS and LC-MS/MS with triple quadrupole revealed that this metabolite (named as OM10) was the compound most frequently detected in water samples, followed by OM14a and OM14b. Up to our knowledge, OM10 had not been used before as urinary biomarker of omeprazole in waters. On the contrary, parent omeprazole was never detected in any of the water samples. After this research, it seems clear that monitoring the presence of omeprazole in the aquatic environment should be focused on the OMs suggested in this article instead of the parent compound., (© 2013.)