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The genus Pseudooceanicola from the alphaproteobacterial Roseobacter group currently includes ten validated species. We herein describe strain Lw-13e T , the first Pseudooceanicola species from marine macroalgae, isolated from the brown alga Fucus spiralis abundant at European and North American coasts. Physiological and pangenome analyses of Lw-13e T showed corresponding adaptive features. Adaptations to the tidal environment include a broad salinity tolerance, degradation of macroalgae-derived substrates (mannitol, mannose, proline), and resistance to several antibiotics and heavy metals. Notably, Lw-13e T can degrade oligomeric alginate via PL15 alginate lyase encoded in a polysaccharide utilization locus (PUL), rarely described for roseobacters to date. Plasmid localization of the PUL strengthens the importance of mobile genetic elements for evolutionary adaptations within the Roseobacter group. PL15 homologs were primarily detected in marine plant-associated metagenomes from coastal environments but not in the open ocean, corroborating its adaptive role in algae-rich habitats. Exceptional is the tolerance of Lw-13e T against the broad-spectrum antibiotic tropodithietic acid, produced by Phaeobacter spp. co-occurring in coastal habitats. Furthermore, Lw-13e T exhibits features resembling terrestrial plant-bacteria associations, i.e. biosynthesis of siderophores, terpenes and volatiles, which may contribute to mutual bacteria-algae interactions. Closest described relative of Lw-13e T is Pseudopuniceibacterium sediminis CY03 T with 98.4% 16S rRNA gene sequence similarity. However, protein sequence-based core genome phylogeny and average nucleotide identity indicate affiliation of Lw-13e T with the genus Pseudooceanicola. Based on phylogenetic, physiological and (chemo)taxonomic distinctions, we propose strain Lw-13e T (=DSM 29013 T =LMG 30557 T ) as a novel species with the name Pseudooceanicola algae., (Copyright © 2020 The Author(s). Published by Elsevier GmbH.. All rights reserved.)

Walnuts, with their health-promoting ingredients, are among the most popular nuts, and practicable methods for determining their geographical origin are needed to tackle food fraud. Authentic walnut samples (235, Juglans Regia L.) from different harvest years (2016-2019) and countries were analyzed by 1 H NMR spectroscopy in combination with chemometric methods to determine their geographical origin. Two sample groups were analyzed at a time with a support vector machine algorithm to obtain two-class classifier models. In total, nine two-class models were built (e.g., Germany/China, France/Germany, and USA/Switzerland), and a repeated nested cross-validation was performed. The models obtained showed high accuracies from 78.0% (±2.3%) to 96.6% (±0.6%). Furthermore, identification of potential chemical markers in the walnut extract was performed.

Food authenticity concerning the geographical origin becomes increasingly important for consumers, food industries, and food authorities. In this study, nontargeted H NMR metabolomics combined with machine learning methodologies was applied to successfully distinguish the geographical origin of 237 samples of white asparagus from Germany, Poland, The Netherlands, Spain, Greece, and Peru. Support vector classification of the geographical origin achieved an accuracy of 91.5% for the entire sample set and 87.8% after undersampling the majority class. Important regions of the spectra could be identified and assigned to potential chemical markers. A subset of samples was compared to isotope-ratio mass spectrometry (IRMS), an established method for the determination of origin of white asparagus in Germany. Here, SVM classification led to accuracies of 79.4% for NMR and 70.9% for IRMS. Finally, the classification of asparagus from different German regions was evaluated, and the influence of year and variety was analyzed.1 H NMR metabolomics combined with machine learning methodologies was applied to successfully distinguish the geographical origin of 237 samples of white asparagus from Germany, Poland, The Netherlands, Spain, Greece, and Peru. Support vector classification of the geographical origin achieved an accuracy of 91.5% for the entire sample set and 87.8% after undersampling the majority class. Important regions of the spectra could be identified and assigned to potential chemical markers. A subset of samples was compared to isotope-ratio mass spectrometry (IRMS), an established method for the determination of origin of white asparagus in Germany. Here, SVM classification led to accuracies of 79.4% for NMR and 70.9% for IRMS. Finally, the classification of asparagus from different German regions was evaluated, and the influence of year and variety was analyzed.

The Helmholtz Drug Discovery conference HDDC 2018 was held on April 26-27, 2018 at the Helmholtz Zentrum in Munich, Germany. The meeting covered a wide range of topics. Keynote lectures were presented by 17 internationally renowned speakers from Europe and the US, and an additional 11 talks were selected from 70 submitted abstracts. With over 220 participants, there was overwhelming response and interest by researchers from both academia and industry., (© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Organosulfates (OSs) have been observed as substantial constituents of atmospheric organic aerosol (OA) in a wide range of environments; however, the chemical composition, sources, and formation mechanism of OSs are still not well understood. In this study, we first created an "OS precursor map" based on the elemental composition of previous OS chamber experiments. Then, according to this "OS precursor map", we estimated the possible sources and molecular structures of OSs in atmospheric PM 2.5 (particles with aerodynamic diameter ≤ 2.5 μm) samples, which were collected in urban areas of Beijing (China) and Mainz (Germany) and analyzed by ultrahigh-performance liquid chromatography (UHPLC) coupled with an Orbitrap mass spectrometer. On the basis of the "OS precursor map", together with the polarity information provided by UHPLC, OSs in Mainz samples are suggested to be mainly derived from isoprene/glyoxal or other unknown small polar organic compounds, while OSs in Beijing samples were generated from both isoprene/glyoxal and anthropogenic sources (e.g., long-chain alkanes and aromatics). The nitrooxy-OSs in the clean aerosol samples were mainly derived from monoterpenes, while much fewer monoterpene-derived nitrooxy-OSs were obtained in the polluted aerosol samples, showing that nitrooxy-OS formation is affected by different precursors in clean and polluted air conditions.

Landfills in Germany are currently approaching stabilization phase; as a result removal of inert organics and potentially toxic elements in the leachate is becoming a primary concern. Dissolved air floatation (DAF) at the secondary stage reduces only 27% of the residual chemical oxygen demand (COD) in the investigated treatment systems; downstream granular activated carbon (GAC) units are required to further reduce COD concentration by 40-56% to meet indirect discharge or direct discharge limits respectively. Therefore, in this study performance in terms of COD and trace metals adsorption of different types of granular activated carbon were compared over different contact times and dosages. GAC 1 with Brunauer-Emmett-Teller (BET) surface area of 719.5 ± 2.1 m 2 /g and average pore diameter (D) of 4.81 nm was identified to be inappropriate for treatment of leachate from this landfill. GAC 2 (with BET of 1513.7 ± 6.4 m 2 /g and D of 3.50 nm) was feasible for COD reduction from DAF-pretreated leachate, while GAC 3 (with BET of 644.5 ± 2.6 m 2 /g and D of 5.65 nm) can be coupled either with biological step alone, or as a tertiary step after the DAF unit. Moreover, as COD is the primary remaining contaminant of interest after secondary and tertiary treatment, spectrometer probes provide a close estimation of COD concentration for use in online monitoring. Beside COD removal, GAC 3 also confirmed the effectiveness of trace metals adsorption even at trace level, as it removed 66, 64, 48, 47, 43, and 25% of copper, cobalt, chromium, manganese, nickel, and zinc, respectively., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

Driven by increasingly stringent restrictions on long-chain per- and polyfluoroalkyl substances (PFASs), novel fluorinated compounds have emerged on the market. Here we report on the occurrences of several perfluoroalkyl ether carboxylic and sulfonic acids (PFECAs and PFESAs), including hexafluoropropylene oxide dimer and trimer acids (HFPO-DA and HFPO-TA), ammonium 4,8-dioxa-3 H-perfluorononanoate (ADONA), chlorinated polyfluorinated ether sulfonic acid (6:2 Cl-PFESA), and its hydrogen-substituted analogue (6:2 H-PFESA) in surface waters from China ( n = 106), the United States ( n = 12), the United Kingdom ( n = 6), Sweden ( n = 10), Germany ( n = 14), The Netherlands ( n = 6), and Korea ( n = 6). Results showed that HFPO-DA, HFPO-TA, and 6:2 Cl-PFESA (median = 0.95, 0.21, and 0.31 ng/L, respectively) were frequently detected in all countries, indicating ubiquitous dispersal and distribution in global surface waters. The presence of 6:2 H-PFESA was widely detected in China (detection rate > 95%) but not in any other country. Only trace levels of ADONA (0.013-1.5 ng/L) were detected in the Rhine River flowing through Germany. The estimated total riverine mass discharges of HFPO-DA, HFPO-TA, and ΣPFESAs reached 2.6, 6.0, and 4.3 ton/year in five of the major river systems in China. Our results indicated that novel PFECAs and PFESAs might become global contaminants, and future investigations are warranted.

Pesticides negatively affect biodiversity and ecosystem function in aquatic environments. In the present study, we investigated the effects of pesticides on stream macroinvertebrates at 19 sites in a rural area dominated by forest cover and arable land in Central Germany. Pesticide exposure was quantified with Chemcatcher® passive samplers equipped with a diffusion-limiting membrane. Ecological effects on macroinvertebrate communities and on the ecosystem function detritus breakdown were identified using the indicator system SPEARpesticides and the leaf litter degradation rates, respectively. A decrease in the abundance of pesticide-vulnerable taxa and a reduction in leaf litter decomposition rates were observed at sites contaminated with the banned insecticide Carbofuran (Toxic Units≥-2.8), confirming the effect thresholds from previous studies. The results show that Chemcatcher® passive samplers with a diffusion-limiting membrane reliably detect ecologically relevant pesticide pollution, and we suggest Chemcatcher® passive samplers and SPEARpesticides as a promising combination to assess pesticide exposure and effects in rivers and streams., (Copyright © 2015 Elsevier B.V. All rights reserved.)

Myrtucommulone A (MC A) (1), isolated from Myrtus communis (myrtle), shows the same pharmacological activity for inhibition of inflammation and induction of apoptosis as synthetic MC A, which consists of three stereoisomers, i.e., two enantiomers and one meso form. This led to the question of whether the natural MC A is a pure stereoisomer or a mixture of stereoisomers. The specific rotation and electronic circular dichroism (ECD) data of natural MC A (1) as well as of a pentacyclic derivative 4 revealed that naturally occurring MC A (1) consists of the racemate and the meso form in a 1:1 ratio. A probable precursor of MC A (1), nor-semimyrtucommulone (5), was also isolated from myrtle as a racemate. The absolute configurations of the enantiomers of 1 and 5 were determined using a combination of experimental and quantum-chemical calculated ECD spectra.

Recent studies have shown that smoking and alcoholism may be associated with altered DNA methylation and that alcohol consumption might induce changes in DNA methylation by altering homocysteine metabolism. In this monocenter study, we included 363 consecutive patients referred for hospitalization for alcohol detoxification treatment. Blood samples were obtained on treatment days 1, 3, and 7 for measurement of global DNA methylation in leukocytes by liquid chromatography tandem mass spectrometry. Genomic DNA was used for genotyping the following seven genetic variants of homocysteine metabolism: cystathionine beta-synthase (CBS) c.844_855ins68, dihydrofolate-reductase (DHFR) c.594 + 59del19bp, methylenetetrahydrofolate-reductase (MTHFR) c.677C > T and c.1298A > C, methyltetrahydrofolate-transferase (MTR) c.2756A > G, reduced folate carrier 1 (RFC1) c.80G > A, and transcobalamin 2 c.776C > G. Multivariate linear regression showed a positive correlation of global DNA methylation with alcohol consumption and smoking on day 1 of hospitalization. DNA methylation was not correlated with homocysteine or vitamin plasma levels, nor with the tested genetic variants of homocysteine metabolism. This suggests a direct effect of alcohol consumption and smoking on DNA methylation, which is not mediated by effects of alcohol on homocysteine metabolism., (Copyright © 2015 Elsevier Inc. All rights reserved.)

Background: In 2011 northern Germany experienced a large outbreak of Shiga-Toxigenic Escherichia coli O104:H4. The large amount of samples sent to microbiology laboratories for epidemiological assessment highlighted the importance of fast and inexpensive typing procedures. We have therefore evaluated the applicability of a MALDI-TOF mass spectrometry based strategy for outbreak strain identification., Methods: Specific peaks in the outbreak strain's spectrum were identified by comparative analysis of archived pre-outbreak spectra that had been acquired for routine species-level identification. Proteins underlying these discriminatory peaks were identified by liquid chromatography tandem mass spectrometry and validated against publicly available databases. The resulting typing scheme was evaluated against PCR genotyping with 294 E. coli isolates from clinical samples collected during the outbreak., Results: Comparative spectrum analysis revealed two characteristic peaks at m/z 6711 and m/z 10883. The underlying proteins were found to be of low prevalence among genome sequenced E. coli strains. Marker peak detection correctly classified 292 of 293 study isolates, including all 104 outbreak isolates., Conclusions: MALDI-TOF mass spectrometry allowed for reliable outbreak strain identification during a large outbreak of Shiga-Toxigenic E. coli. The applied typing strategy could probably be adapted to other typing tasks and might facilitate epidemiological surveys as part of the routine pathogen identification workflow.

Gas chromatographic-mass spectrometric (GC/MS) analysis of particulate matter of the Elbe river and its tributaries Havel, Spree and Mulde revealed a group of three dinaphthylsulfone isomers as sedimentary and suspended particulate matter (SPM) contaminants. The mass spectra of dinaphthylsulfones are characterized by the molecular ion (m/z 318), and the naphthyl fragment ion m/z 127. Losses of HSO(2) and C(10)H(7)O from the molecular ion lead to different mass spectra for each isomer. The gas phase infrared spectra exhibit isomer specific bands in the spectral region between 900 and 700 wave numbers. A synthetic mixture of dinaphthylsulfones was used for isomer identification and the assignment of the gas chromatographic retention behaviour of the dinaphthylsulfone isomers. Quantitative GC/MS analysis of dinaphthylsulfones in 44 sediment and SPM samples provided comprehensive information on the overall distribution and distinct sources of dinaphthylsulfones in the Elbe river drainage system. The results indicate emissions of these compounds over prolonged times and their environmental stability in anaerobic sediments.

A bioassay-directed fractionation and identification (toxicity identification evaluation procedure) was performed on extracts of 10 1 River Elbe water samples. The experimental method included a SDB-1 solid phase extraction followed by RP-HPLC fractionation and subfractionation. Chemical analysis by GC-MS as well as acute toxicity testing using a luminescent bacteria assay were conducted in the respective fractions. Many substances were identified, among which were pesticides and pharmaceuticals, but many compounds remained unknown.

To give a detailed and comprehensive view on the state of pollution of the Havel and Spree rivers nontarget screening as well as quantitative (target) analyses were applied to anoxic sedimentsamples. Based on nontarget GC/MS analysis a significant contribution to the anthropogenic contamination could be attributed to halogenated compounds. Three groups of contaminants corresponding either to diffuse or local contamination could be distinguished. Several commonly observable compounds including pentachloroanisol, polychlorinated biphenyles, 2,4-dichlorobenzoic acid, and chlorinated benzenes were detected with a distribution reflecting the contribution of nonpoint source emissions. A second group of chlorinated as well as brominated compounds was attributed to a strong point source emission at the Teltow Canal. At the sampling locations influenced by this point source the amount of mono- and dibrominated naphthalenes, chlorinated naphthalenes, and hexachlorocyclohexanes as well as DDT- and methoxychlor-related compounds increased significantly as compared to the background concentrations. A third group of halogen compounds emitted at this site consisted of the pesticides bromopropylate, methoxychlor, and chlorfensone as well as specific brominated aromatics including 2,4,6-tribromoaniline, 4,4'-dibromobenzophenone, and brominated benzenes. In addition, tetrabromochlorotoluenes, tribromodichlorotoluenes, dibromotrichlorotoluenes, and 2,2-bis(4-bromophenyl)acetic acid isopropyl ester were identified and are reported for the first time as environmental contaminants. The amounts of brominated compounds detected in Teltow Canal sediments occurred at a similar concentration level as their chlorinated analogues. Therefore, investigations on the occurrence of such a broad spectrum of brominated compounds as established in this work are presumably required more frequently to assess the environmental impact of this type of emissions.

Nine structurally different phenolic chemicals, which have been reported to mimic estrogen effects, were determined in various aquatic environmental compartments. Twenty-three water samples from five streams and rivers showed levels up to 458 ng/l for 4-nonylphenol (4NP), 189 ng/l for 4-t-octylphenol (4tOP), 272 ng/l for bisphenol A (BPA) and 47 ng/l for 2-hydroxybiphenyl (2OHBiP). Elevated levels of these compounds in a stream with a high load of effluents of sewage treatment plants (STPs), compared to a brook free of sewage, identified STPs as major sources. With a similar order, 4NP (10-259 micrograms/kg dry matter), 4tOP (< 0.5-8 micrograms/kg), BPA (< 0.5-15 micrograms/kg), and 2OHBiP (2-69 micrograms/kg) were also detected regularly in riverine sediment (n = 11). Levels in sewage sludge were one order of magnitude higher than in sediments. 4-Hydroxybiphenyl and 4-chloro-3-methylphenol were found predominantly in sludge and sediment in the lower ppb range.

The concentrations of non-ortho, mono-ortho and di-ortho substituted PCB congeners in tissues of three European mustelid species--polecat, stone marten and badger--were determined. Median congener concentrations are comparable in the three species and are lower than in previous studies on polecats. In all samples PCB-126 contributes most to the TCDD-TEQ; it occurs in considerably higher concentrations in polecats. Additionally, amphibs, the main prey of polecats, were analysed. The total PCB intake of polecats feeding solely on amphibs would be below a critical level, considering the NOAEL for the reproduction of mink, a closely related species.