Explore the vast range of titles available.

A bstract We investigate the non-relativistic reduction of simplified models for spin 1 dark matter (DM) with the aim of identifying features in the phenomenology of DM-quark interactions which are specific to vector DM. In the case of DM-quark interactions mediated by a spin 1 particle, we find two DM-nucleon interaction operators arising from the non-relativistic reduction of simplified models for spin 1 DM that are specific to spin 1 DM, and which were not considered in previous studies. They are quadratic in the momentum transfer, linear in a symmetric combination of polarisation vectors for the DM particle, and arise from simplified models which do not generate momentum transfer independent operators as leading interactions in the non-relativistic expansion of DM-nucleon scattering amplitudes. Within these simplified models, the new operators cannot be neglected when computing DM signals at direct detection experiments. For example, we find that nuclear recoil energy spectra computed by including or neglecting the new operators can differ by up to one order of magnitude for nuclear recoil energies larger than about 20 keV and DM masses below 50 GeV. Furthermore, the shape of the expected nuclear recoil spectra depends significantly on whether the new operators are taken into account or not. Finally, neglecting the contribution to DM direct detection signals from the new operators leads to inaccurate conclusions when assessing the compatibility of a future direct detection signal with CMB constraints on the DM relic density, especially when the number of signal events is small, e.g. O (1).

This article provides an overview of the state-of-the-art and future trends of the application of LC-high resolution mass spectrometry to the environmental analysis of polar micropollutants. Highly resolved and accurate hybrid tandem mass spectrometry such as quadrupole/time-of-flight and linear ion trap/orbitrap technology allows for a more reliable target analysis with reference standards, a screening for suspected analytes without reference standards, and a screening for unknowns. A reliable identification requires both high resolving power and high mass spectral accuracy to increase selectivity against the matrix background and for a correct molecular formula assignment to unknown compounds. For the identification and structure elucidation of unknown compounds within a reasonable time frame and with a reasonable soundness, advanced automated software solutions as well as improved prediction systems for theoretical fragmentation patterns, retention times, and ionization behavior are needed. [graphic removed]

A bstract It is well-known that dark matter (DM) direct detection experiments and the LHC are complementary, since they probe physical processes occurring at different energy scales. And yet, there are aspects of this complementarity which are still not fully understood, or exploited. For example, what is the impact that the discovery of DM at XENONnT would have on present and future searches for DM in LHC final states involving a pair of hadronic jets? In this work we investigate the impact of a XENONnT signal on the interpretation of current dijet searches at the LHC, and on the prospects for dijet signal discovery at the High-Luminosity (HL) LHC in the framework of simplified models. Specifically, we focus on a general class of simplified models where DM can have spin 0, 1/2 or 1, and interacts with quarks through the exchange of a scalar, pseudo-scalar, vector, or pseudo-vector mediator. We find that exclusion limits on the mediator’s mass and its coupling to quarks from dijet searches at the LHC are significantly affected by a signal at XENONnT, and that O (100) signal events at XENONnT would drastically narrow the region in the parameter space of simplified models where a dijet signal can be discovered at 5 σ C.L. at the HL-LHC.

Non-target screening (NTS) including suspect screening with high resolution mass spectrometry has already shown its feasibility in detecting and identifying emerging contaminants, which subsequently triggered exposure mitigating measures. NTS has a large potential for tasks such as effective evaluation of regulations for safe marketing of substances and products, prioritization of substances for monitoring programmes and assessment of environmental quality. To achieve this, a further development of NTS methodology is required, including: (i) harmonized protocols and quality requirements, (ii) infrastructures for efficient data management, data evaluation and data sharing and (iii) sufficient resources and appropriately trained personnel in the research and regulatory communities in Europe. Recommendations for achieving these three requirements are outlined in the following discussion paper. In particular, in order to facilitate compound identification it is recommended that the relevant information for interpretation of mass spectra, as well as about the compounds usage and production tonnages, should be made accessible to the scientific community (via open-access databases). For many purposes, NTS should be implemented in combination with effect-based methods to focus on toxic chemicals.

Biodegradability testing in soil helps to identify safe synthetic organic chemicals but is still obscured by the formation of soil-bound ‘non-extractable’ residues (NERs). Present-day methodologies using radiocarbon or stable ( 13 C, 15 N) isotope labeling cannot easily differentiate soil-bound parent chemicals or transformation products (xenoNERs) from harmless soil-bound biomolecules of microbial degraders (bioNERs). Hypothesizing a minimal retention of hydrogen in biomolecules, we here apply stable hydrogen isotope – deuterium (D) – labeling to unravel the origin of NERs. Soil biodegradation tests with D- and 13 C-labeled 2,4-D, glyphosate and sulfamethoxazole reveal consistently lower proportions of applied D than 13 C in total NERs and in amino acids, a quantitative biomarker for bioNERs. Soil-bound D thus mostly represents xenoNERs and not bioNERs, enabling an efficient quantification of xenoNERs by just measuring the total bound D. D or tritium (T) labeling could thus improve the value of biodegradability testing results for diverse organic chemicals forming soil-bound residues. Non-extractable residues formation limits biodegradability testing in soil. Here, the authors show that hydrogen isotope tracers are hardly retained in microbial biomass, enabling an efficient distinction between biogenic and xenobiotic residues.

The role of steroids in carcinogenesis has become a major concern in environmental protection, biomonitoring, and clinical research. Although historically oestrogen has been related to development of reproductive system, research over the last decade has confirmed its crucial role in the development and homeostasis of other organ systems. As a number of anthropogenic agents are xenoestrogens, environmental health research has focused on oestrogen receptor level disturbances and of aromatase polymorphisms. Oestrogen and xenoestrogens mediate critical points in carcinogenesis by binding to oestrogen receptors, whose distribution is age-, gender-, and tissue-specific. This review brings data about cancer types whose eatiology may be found in environmental exposure to xenoestrogens. Cancer types that have been well documented in literature to be related with environmental exposure include the reproductive system, breast, lung, kidney, pancreas, and brain. The results of our data mining show (a) a significant correlation between exposure to xenoestrogens and increased, gender-related, cancer risk and (b) a need to re-evaluate agents so far defined as endocrine disruptors, as they are also key molecules in carcinogenesis. This revision may be used to further research of cancer aetiology and to improvement of related legislation. Investigation of cancers caused by xenoestrogens may elucidate yet unknown mechanisms also valuable for oncology and the development of new therapies.

Chemicals in the aquatic environment can be harmful to organisms and ecosystems. Knowledge on effect concentrations as well as on mechanisms and modes of interaction with biological molecules and signaling pathways is necessary to perform chemical risk assessment and identify toxic compounds. To this end, we developed criteria and a pipeline for harvesting and summarizing effect concentrations from the US ECOTOX database for the three aquatic species groups algae, crustaceans, and fish and researched the modes of action of more than 3,300 environmentally relevant chemicals in literature and databases. We provide a curated dataset ready to be used for risk assessment based on monitoring data and the first comprehensive collection and categorization of modes of action of environmental chemicals. Authorities, regulators, and scientists can use this data for the grouping of chemicals, the establishment of meaningful assessment groups, and the development of in vitro and in silico approaches for chemical testing and assessment.

Background The fourth round of the Critical Assessment of Small Molecule Identification (CASMI) Contest ( www.casmi-contest.org ) was held in 2016, with two new categories for automated methods. This article covers the 208 challenges in Categories 2 and 3, without and with metadata, from organization, participation, results and post-contest evaluation of CASMI 2016 through to perspectives for future contests and small molecule annotation/identification. Results The Input Output Kernel Regression (CSI:IOKR) machine learning approach performed best in “Category 2: Best Automatic Structural Identification— In Silico Fragmentation Only”, won by Team Brouard with 41% challenge wins. The winner of “Category 3: Best Automatic Structural Identification—Full Information” was Team Kind (MS-FINDER), with 76% challenge wins. The best methods were able to achieve over 30% Top 1 ranks in Category 2, with all methods ranking the correct candidate in the Top 10 in around 50% of challenges. This success rate rose to 70% Top 1 ranks in Category 3, with candidates in the Top 10 in over 80% of the challenges. The machine learning and chemistry-based approaches are shown to perform in complementary ways. Conclusions The improvement in (semi-)automated fragmentation methods for small molecule identification has been substantial. The achieved high rates of correct candidates in the Top 1 and Top 10, despite large candidate numbers, open up great possibilities for high-throughput annotation of untargeted analysis for “known unknowns”. As more high quality training data becomes available, the improvements in machine learning methods will likely continue, but the alternative approaches still provide valuable complementary information. Improved integration of experimental context will also improve identification success further for “real life” annotations. The true “unknown unknowns” remain to be evaluated in future CASMI contests. Graphical abstract .

Background Insects are experiencing a drastic biodiversity and biomass decline while providing important ecosystem functions. Therefore, it is of great concern to further uncover underlying causes, with the goal of identifying mechanisms to dampen biodiversity loss. In urban areas, private gardens display a relevant fraction of the total green area distributed across the city. Hence, gardens pose important habitats for organisms, also as stepping stones enhancing connectivity. However, individual practices such as the use of pesticides and fertilizers, as well as chemical run-off from building materials, can strongly influence the habitat quality and thus insect biodiversity. Small water bodies, which provide important resources for many insect species, are the focus of this study. Garden pond toxicity was examined with in vitro and in vivo methods on different test organisms as well as with a chemical screening analysis. Results Out of 17 ponds, only one water sample and one sediment sample were identified as non-toxic according to a bioluminescence assay performed with Aliivibrio fischeri . In seven water and ten sediment samples, enhanced dioxin-like activity was measured with a reporter gene assay with Saccharomyces cerevisiae . The majority of water extracts displayed a mutagenic potential determined with the Ames fluctuation assay ( Salmonella typhimurium , YG1041 and YG1042 strains), while most sediment extracts were not mutagenic. An increased larval mortality of Chironomus riparius was observed in five water–sediment systems implemented from pond samples. Larval mortality correlated positively with in vitro water toxicity (bioluminescence inhibition) as well as with the concentration of benzothiazole derivatives, measured in a target screening with LC–HRMS. Likely, the increased benzothiazole derivative concentrations stemmed from the installation of ethylene propylene diene monomer (EPDM) rubber pond liner. Substance composition varied significantly between house and allotment gardens and measured substance concentrations were higher in allotment ponds. Conclusions This study demonstrates that chemical pollution in private urban gardens might have been underestimated to date. Toxicity of ponds can have severe influences on insect populations and should, therefore, be studied further. The choice of materials and maintenance habits of gardeners can have a great impact on habitat qualities for insects and should not be ignored.

Background Polychlorinated dioxins and –furans (PCDD/Fs) and polychlorinated-biphenyls (PCBs) are environmental toxicants that have been proven to influence thyroid metabolism both in animal studies and in human beings. In recent years polybrominated diphenyl ethers (PBDEs) also have been found to have a negative influence on thyroid hormone metabolism. The lower brominated flame retardants are now banned in the EU, however higher brominated decabromo-diphenyl ether (DBDE) and the brominated flame retardant hexabromocyclododecane (HBCD) are not yet banned. They too can negatively influence thyroid hormone metabolism. An additional brominated flame retardant that is still in use is tetrabromobisphenol-A (TBBPA), which has also been shown to influence thyroid hormone metabolism. Influences of brominated flame retardants, PCDD/F’s and dioxin like-PCBs (dl-PCB’s) on thyroid hormone metabolism in adolescence in the Netherlands will be presented in this study and determined if there are reasons for concern to human health for these toxins. In the period 1987-1991, a cohort of mother-baby pairs was formed in order to detect abnormalities in relation to dioxin levels in the perinatal period. The study demonstrated that PCDD/Fs were found around the time of birth, suggesting a modulation of the setpoint of thyroid hormone metabolism with a higher 3,3’, 5,5’tetrathyroxine (T4) levels and an increased thyroid stimulating hormone (TSH). While the same serum thyroid hormone tests (- TSH and T4) were again normal by 2 years of age and were still normal at 8-12 years, adolescence is a period with extra stress on thyroid hormone metabolism. Therefore we measured serum levels of TSH, T4, 3,3’,5- triiodothyronine (T3), free T4 (FT4), antibodies and thyroxine-binding globulin (TBG) in our adolescent cohort. Methods Vena puncture was performed to obtain samples for the measurement of thyroid hormone metabolism related parameters and the current serum dioxin (PCDD/Fs), PCB and PBDE levels. Results The current levels of T3 were positively correlated to BDE-99. A positive trend with FT4 and BDE-99 was also seen, while a positive correlation with T3 and dl-PCB was also seen. No correlation with TBG was seen for any of the contaminants. Neither the prenatal nor the current PCDD/F levels showed a relationship with the thyroid parameters in this relatively small group. Conclusion Once again the thyroid hormone metabolism (an increase in T3) seems to have been influenced by current background levels of common environmental contaminants: dl-PCBs and BDE-99. T3 is a product of target organs and abnormalities might indicate effects on hormone transporters and could cause pathology. While the influence on T3 levels may have been compensated, because the adolescents functioned normal at the time of the study period, it is questionable if this compensation is enough for all organs depending on thyroid hormones.