TY - JOUR A1 - Almeida, Â. A1 - Calisto, V. A1 - Esteves, V. I. A1 - Schneider, Rudolf A1 - Soares, A. M. V. M. A1 - Freitas, R. T1 - Responses of Ruditapes philippinarum to contamination by pharmaceutical drugs under ocean acidification scenario N2 - In coastal systems, organisms are exposed to amultitude of stressors whose interactions and effects are poorly studied. Pharmaceutical drugs and Climate Change consequences, such as lowered pH, are examples of stressors affecting marine organisms, as bivalves. Although a vast literature is available for the effects of these stressors when acting individually, very limited information exists on the impacts that the combination of both can have on marine bivalves. For this reason, this study aimed to evaluate the impacts of a simulated ocean acidification scenario (control pH, 8.0; lowered pH, pH 7.6) on the effects of the antiepileptic carbamazepine (CBZ, 1 μg/L) and the antihistamine cetirizine (CTZ, 0.6 μg/L), when acting individually and combined (CBZ + CTZ), on the edible clam Ruditapes philippinarum. After 28 days of exposure, drug concentrations, bioconcentration factors and biochemical parameters related to the clams' metabolic capacity and oxidative stress were evaluated. The results showed that R. philippinarum clams responded differently to pharmaceutical drugs depending on the pH tested, influencing both bioconcentration and biological responses. In general, drug combined treatments showed fewer impacts than drugs acting alone, and acidification seemed to activate at a higher extension the elimination processes that were not activated under control pH. Also, lowered pH per se exerted negative impacts (e.g., cellular damage) on R. philippinarum and the combination with pharmaceutical drugs did not enhance the toxicity. KW - Biosensoren KW - Immunoassay KW - ELISA KW - Vor-Ort-Analytik KW - Toxikologie KW - Pharmaceutical drugs KW - Bivalves KW - Ocean acidification KW - Biomarkers KW - Climate change PY - 2022 DO - https://doi.org/10.1016/j.scitotenv.2022.153591 SN - 1879-1026 VL - 824 SP - 1 EP - 11 PB - Elsevier Science CY - Amsterdam AN - OPUS4-55590 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gregório, Bruno J.R. A1 - Ramos, Inês I. A1 - Marques, Sara S. A1 - Barreiros, Luísa A1 - Magalhães, Luís M. A1 - Schneider, Rudolf A1 - Segundo, Marcela A. T1 - Microcarrier-based fluorescent yeast estrogen screen assay for fast determination of endocrine disrupting compounds N2 - The presence of endocrine-disrupting compounds (EDCs) in water poses a significant threat to human and animal health, as recognized by regulatory agencies throughout the world. The Yeast Estrogen Screen (YES) assay is an excellent method to evaluate the presence of these compounds in water due to its simplicity and capacity to assess the bioaccessible forms/fractions of these compounds. In the presence of a compound with estrogenic activity, Saccharomyces cerevisiae cells, containing a lacZ reporter gene encoding the enzyme β-galactosidase, are induced, the enzyme is synthesised, and released to the extracellular medium. In this work, a YES-based approach encompassing the use of a lacZ reporter gene modified strain of S. cerevisiae, microcarriers as solid support, and a fluorescent substrate, fluorescein di-β-D-galactopyranoside, is proposed, allowing for the assessment of EDCs’ presence after only 2 h of incubation. The proposed method provided an EC50 of 0.17 ± 0.03 nM and an LLOQ of 0.03 nM, expressed as 17β-estradiol. The assessment of different EDCs provided EC50 values between 0.16 and 1.2 × 103 nM. After application to wastewaters, similar results were obtained for EDCs screening, much faster, compared to the conventional 45 h spectrophotometric procedure using a commercial kit, showing potential for onsite high-throughput screening of environmental contamination. KW - Biosensoren KW - YES assay KW - Endokrine Disruptoren PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602315 DO - https://doi.org/10.1016/j.talanta.2024.125665 VL - 271 SP - 1 EP - 7 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-60231 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pieres, A. A1 - Almeida, Ângela A1 - Correia, J. A1 - Calisto, V. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Long-term exposure to caffeine and carbamazepine: Impacts on the regenerative capacity of the polychaete Diopatra neapolitana N2 - The toxicity induced in non-target organisms by pharmaceutical drugs has been the focus of several studies. In the aquatic environment, most of the studies have been devoted to fish and bivalves, while little is known on the impacts induced in polychaetes. The present study evaluated the impacts of carbamazepine and caffeine on the regenerative capacity of Diopatra neapolitana, a polychaete species with high ecological and economic relevance. Under laboratory controlled conditions polychaetes were exposed, during 28 days, to carbamazepine (Ctl-0.0; 0.3; 3.0; 6.0; 9.0 mg/L) and caffeine (Ctl-0.0; 0.5; 3.0; 18.0 mg/L). During the experiment, at days 11, 18, 25, 32, 39 and 46 after amputation, for each specimen, the percentage of the body width regenerated was determined and the number of new segments was counted. The regenerative capacity was assessed considering the number of days needed to achieve full regeneration and the total number of new segments. The obtained results revealed that with the increase of drugs concentrations organisms regenerated less new segments and took longer to completely regenerate. KW - Diopatra neapolitana KW - Pollution KW - Pharmaceutical drugs KW - Regenerative capacity PY - 2016 DO - https://doi.org/10.1016/j.chemosphere.2015.12.035 SN - 0045-6535 VL - 146 SP - 565 EP - 573 PB - Elsevier AN - OPUS4-38497 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Freitas, R. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Velez, C. A1 - Moreira, A. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Wrona, F. J. A1 - Figueira, E. A1 - Soares, A. M. V. M. T1 - The impacts of pharmaceutical drugs under ocean acidification: Newdata on single and combined long-term effects of carbamazepine on Scrobicularia plana N2 - Ocean acidification and increasing discharges of pharmaceutical contaminants into aquatic systems are among key and/or emerging drivers of environmental change affecting marine ecosystems. A growing body of evidence demonstrates that ocean acidification can have direct and indirect impacts on marine organisms although combined effects with other stressors, namely with pharmaceuticals, have received very little attention to date. The present study aimed to evaluate the impacts of the pharmaceutical drug Carbamazepine and pH 7.1, acting alone and in combination, on the clamScrobicularia plana. For this, a long-termexposure (28 days)was conducted and a set of oxidative stress markers was investigated. The results obtained showed that S. plana was able to develop mechanisms to prevent oxidative damage when under low pH for a long period, presenting higher survival when exposed to this stressor compared to CBZ or the combination of CBZ with pH 7.1. Furthermore, the toxicity of CBZ on S. plana was synergistically increased under ocean acidification conditions (CBZ + pH 7.1): specimens survival was reduced and oxidative stress was enhanced when compared to single exposures. These findings add to the growing body of evidence that ocean acidification will act to increase the toxicity of CBZ to marine organisms,which has clear implications for coastal benthic ecosystems suffering chronic pollution from pharmaceutical drugs. KW - Ocean acidification KW - Pharmaceuticals KW - Biomarkers KW - Oxidative stress KW - Clams KW - Long-term exposures PY - 2016 DO - https://doi.org/10.1016/j.scitotenv.2015.09.138 VL - 541 SP - 977 EP - 985 PB - Elsevier B.V. AN - OPUS4-38502 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fernandez, L. A1 - Esteves, V. I. A1 - Cunha, A. A1 - Schneider, Rudolf A1 - Tome, J. P. C. T1 - Photodegradation of organic pollutants in water by immobilized porphyrins and phthalocyanines N2 - New methods for water treatment are required as a result from an increasing awareness in the reduction of the pollution impact in the environment. In the perspective of the photo-oxidation of organic pollutants present in water, the principal incentive for the preparation of heterogeneous photocatalysts is their easy recovery from the reaction mixture, which allows their reuse in successive runs, minimizing the loss of their original photocatalytic properties. Different types of supports can be used in the immobilization of photoactive species, such as porphyrins (Pors) and phthalocyanines (Pcs). This mini-review will consider the different methodologies for the immobilization of Pors and Pcs and their photocatalytic performance in the photodegradation of organic pollutants in water, addressing also their recycling ability in successive water treatments. KW - Porphyrins KW - Phthalocyanines KW - Water treatment KW - Organic pollutants KW - Advanced oxidation processes KW - Heterogeneous photocatalysis KW - TiO2 KW - Microporous KW - Nanoparticles PY - 2016 DO - https://doi.org/10.1142/S108842461630007X VL - 2016 IS - 20 SP - 150 EP - 166 PB - World Scientific Publishing AN - OPUS4-38503 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pires, A. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Wrona, F. J. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Long-term exposure of polychaetes to caffeine: Biochemical alterations induced in Diopatra neapolitana and Arenicola marina N2 - In the last decade studies have reported the presence of several pharmaceutical drugs in aquatic environments worldwide and an increasing effort has been done to understand the impacts induced on wildlife. Among the most abundant drugs in the environment is caffeine, which has been reported as an effective chemical anthropogenic marker. However, as for the majority of pharmaceuticals, scarce information is available on the adverse effects of caffeine on marine benthic organisms, namely polychaetes which are the most abundant group of organisms in several aquatic ecossystems. Thus, the present study aimed to evaluate the biochemical alterations induced by environmentally relevant concentrations of caffeine on the polychaete species Diopatra neapolitana and Arenicola marina. The results obtained demonstrated that after 28 days exposure oxidative stress was induced in both species, especially noticed in A. marina, resulting from the incapacity of antioxidant and biotransformation enzymes to prevent cells from lipid peroxidation. The present study further revealed that D. neapolitana used glycogen and proteins as energy to develop defense mechanisms while in A. marina these reserves were maintained independently on the exposure concentration, reinforcing the low capacity of this species to fight against oxidative stress. KW - Invertebrates KW - Pharmaceuticals KW - Oxidative stress biomarkers KW - Energy reserves PY - 2016 DO - https://doi.org/10.1016/j.envpol.2016.04.031 VL - 2016 IS - 214 SP - 456 EP - 463 PB - Elsevier Ltd. AN - OPUS4-38505 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cruz, D. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V. I. A1 - Schneider, Rudolf A1 - Wrona, F. J. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Caffeine impacts in the clam Ruditapes philippinarum: Alterations on energy reserves, metabolic activity and oxidative stress biomarkers N2 - Caffeine is known to be one of the most consumed psychoactive drugs. For this reason, caffeine is continuously released into the environment with potential impacts on inhabiting organisms. The current study evaluated the biochemical alterations induced in the clam species Ruditapes philippinarum after exposure for 28 days to caffeine (0.5, 3.0 and 18.0 mg/L). The results obtained showed that, with the increasing caffeine concentrations, an increase in clams defense mechanisms (such as antioxidant and biotransformation enzymes activity) was induced which was accompanied by an increase in protein content. Nevertheless, although an increase on defense mechanisms was observed, clams were not able to prevent cells from lipid peroxidation that increased with the increase of caffeine concentration. Furthermore, with the increase of exposure concentrations, clams increased their metabolic activity (measured by electron transport activity), reducing their energy reserves (glycogen content), to fight against oxidative stress. Overall, the present study demonstrated that caffeine may impact bivalves, even at environmentally relevant concentrations, inducing oxidative stress in organisms. The present study is an important contribution to address knowledge gaps regarding the impacts of long-term exposures to pharmaceuticals since most of the studies assessed the effects after acute exposures, most of them up to 96 h. KW - Bivalves KW - Oxidative stress KW - Pharmaceuticals KW - Long-term exposure KW - Environmentally relevant concentrations PY - 2016 DO - https://doi.org/10.1016/j.chemosphere.2016.06.068 VL - 2016 IS - 160 SP - 95 EP - 103 PB - Elsevier Ltd. AN - OPUS4-38508 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pires, A. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Wrona, F. J. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Hediste diversicolor as bioindicator of pharmaceutical pollution: Results from single and combined exposure to carbamazepine and caffeine N2 - Several environmental stressors have been identified as key and/or emerging drivers of habitat change that could significantly influence marine near-shore ecosystems. These include increasing discharges of pharmaceutical contaminants into the aquatic coastal systems. Pharmaceutical drugs are often detected in aquatic environments but still information on their toxicity impacts on inhabiting species is scarce, especially when acting in combination. Furthermore, almost no information is available on the impacts of pharmaceuticals in polychaetes, often the most abundant taxon in benthic communities and commonly used as indicator species of environmental conditions. Therefore, the present study aimed to evaluate the biochemical alterations induced in the polychaete Hediste diversicolor, from a low contaminated area at the Ria de Aveiro lagoon (Portugal), by the antiepileptic drug carbamazepine (0.0 - control, 0.3, 3.0, 6.0 and 9.0 μg/L) and the stimulant caffeine (0.0 - control, 0.5, 3.0, and 18.0 μg/L), acting alone and in combination (0.3 CBZ + 0.5 CAF and 6.0 CBZ + 3.0 CAF). Glutathione Stransferases (GSTs), superoxide dismutase (SOD) and catalase (CAT) activities was determined in Hediste diversicolor from each condition. Lipid peroxidation (LPO), glutathione reduced and oxidized (GSH and GSSG), glycogen and electron transport system (ETS) were also measured. The results obtained clearly revealed that both drugs induced oxidative stress in H. diversicolor, shown by the increase on LPO levels and decrease on total glutathione and GSH/GSSG ratio with the increase of exposure concentrations. Furthermore, the present findings demonstrated that polychaetes biotransformation capacity as well as antioxidant defense mechanisms were not sufficiently efficient to fight against the excess of reactive oxygen species (ROS) leading to LPO when organisms were exposed to both drugs. Our results also demonstrated that polychaetes tended to decrease the activity of ETSwhen exposed to drugs, avoiding energy expenditurewhich may prevent them fromgreater damages. The present study further revealed that the impacts induced by the combination of both drugswere similar to those obtained at the highest drugs concentrations acting alone. KW - Invertebrates KW - Pharmaceuticals KW - Oxidative stress biomarkers KW - Energy reserves PY - 2016 DO - https://doi.org/10.1016/j.cbpc.2016.06.003 VL - 2016 IS - 188 SP - 30 EP - 38 PB - Elsevier Inc. AN - OPUS4-38509 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tamschick, S. A1 - Rozenblut-Kościsty, B. A1 - Ogielska, M. A1 - Lehmann, Andreas A1 - Lymberakis, P. A1 - Hoffmann, F. A1 - Lutz, I. A1 - Schneider, Rudolf A1 - Kloas, W. A1 - Stöck, M. T1 - Impaired gonadal and somatic development corroborate vulnerability differences to the synthetic estrogen ethinylestradiol among deeply diverged anuran lineages N2 - Amphibians are undergoing a global decline. One poorly investigated reason could be the pollution of aquatic habitats by endocrine disrupting compounds (EDCs). We tested the susceptibility to the synthetically stabilized estrogen 17α-ethinylestradiol (EE2) in three deeply diverged anuran species, differing in sex determination systems, types of gonadogenesis and larval ecologies. To understand whether data from the amphibian model Xenopus laevis (Pipidae) are analogous and applicable to only distantly related non-model amphibians, tadpoles of X. laevis, Hyla arborea (Hylidae) and Bufo viridis (Bufonidae) were simultaneously exposed to 50, 500 and 5000 ng/L EE2 from hatching until completion of metamorphosis, using a flow-through-system under identical experimental conditions. Comparing molecularly established genetic with histologically assessed phenotypic sex in all species, we have recently shown that EE2 provoked numerous genetic-male-to-phenotypic-female sex reversals and mixed sex individuals, confirming overall its expected feminizing effect. In the present study, we focus on the influence of EE2 on gonadal and somatic development. Anatomy and histology revealed several species-specific effects. In both non-model species, H. arborea and B. viridis, high numbers of anatomically impaired gonads were observed. In H. arborea, exposed to 5000 ng/L EE2, numerous underdeveloped gonads were detected. Whereas EE2 did not alter snout-to-vent length and body weight of X. laevis metamorphs, H. arborea showed a treatment-dependent decrease, while B. viridis exhibited an increase in body weight and snout-to-vent length. Apart from a concentration-dependent occurrence of yellowish skin color in several H. arborea, no organ-specific effects were detected. Since EE2 ubiquitously occurs in many aquatic ecosystems and affects sexual and somatic development, among EDCs, it may indeed contribute to amphibian decline. The inter-species variation in developmental EE2-effects corroborates species-specific vulnerability differences towards EDCs between deeply diverged amphibian groups KW - Endocrine disruption KW - Ethinylestradiol KW - Mass spectrometry PY - 2016 DO - https://doi.org/10.1016/j.aquatox.2016.07.001 SN - 0166-445X SN - 1879-1514 VL - 177 SP - 503 EP - 514 PB - Elsevier AN - OPUS4-37633 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Teixiera, M. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V. I. A1 - Wrona, F. J. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Toxic effects of the antihistamine cetirizine in mussel Mytilus galloprovincialis N2 - Recent studies have become increasingly focused on the assessment of pharmaceuticals occurrence in aquatic ecosystems, however the potential toxicity to non-target organisms is still largely unknown. The antihistamine cetirizine is a commonly used pharmaceutical, already detected in surface waters of marine aquatic systems worldwide. In the present study Mytilus galloprovincialis mussels were exposed to a range of cetirizine concentrations (0.3, 3.0, 6.0 and 12.0 mu/L), resembling moderate to highly contaminated areas, over 28 days. The responses of different biochemical markers were evaluated in mussels whole soft tissue, and included energy-related parameters (glycogen content, GLY; protein content, PROT; electron transport system activity, ETS), and oxidative stress markers (superoxide dismutase activity, SOD; catalase activity, CAT; glutathione S-transferases activity, GSTs; lipid peroxidation levels, LPO; reduced (GSH) and oxidized (GSSG) glutathione content). The results obtained demonstrated that with the increase of exposure concentrations mussels tended to increase their energy reserves and maintain their metabolic potential, which was significantly higher only at the highest concentration. Our findings clearly revealed that cetirizine inhibited the activity of GSTs and although induced the activity of antioxidant enzymes (SOD and CAT) mussels were not able to prevent cellular damages observed through the increase of LPO associated to the increase of exposure concentrations. Thus, this study confirmed that cetirizine induces toxic effects in Mytilus galloprovincialis, which, considering their trophic relevance, wide use as bioindicator and wide spatial distribution of this species, can result in ecological and economic negative impacts at a large scale. KW - Bivalves KW - Biomarkers KW - Oxidative Stress PY - 2017 DO - https://doi.org/10.1016/j.watres.2017.02.032 SN - 0043-1354 VL - 114 SP - 316 EP - 326 AN - OPUS4-43302 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Oliveira, P. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V. I. A1 - Wrona, F. J. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Physiological and biochemical alterations induced in the mussel Mytilus galloprovincialis after short and long-term exposure to carbamazepine N2 - The bivalve Mytilus galloprovincialis collected in the Ria de Aveiro, was selected to evaluate the acute and chronic effects of carbamazepine (CBZ) at environmentally relevant concentrations. CBZ is an antiepileptic drug widely found in the aquatic environment with toxic effects to inhabiting organisms. However, few studies evaluated the acute and chronic toxicity of this drug. The experiment was performed 'by exposing mussels to 0.0, 0.3, 3.0, 6.0 and 9.0 CBZ mu g/L, for 96 h and 28 days. To assess the toxicity of the drug, a battery of biomarkers related to mussels general physiological health status and oxidative stress was applied. CBZ was quantified in mussel tissues by an Enzyme-Linked Immunosorbent Assay (ELISA). The results obtained show that CBZ did not induce oxidative stress. However, our findings,demonstrated that the drug was taken up by mussels even though presenting low bioconcentration factor (BCF) values (up to 2.2). Furthermore, our results demonstrated that after a chronic exposure the physiological parameters, namely the condition and gonadosomatic indices, were negatively affected which may impair organisms' reproductive capacity with consequences to population sustainability. KW - Pharmaceuticals KW - Bivalves KW - Oxidative Stress PY - 2017 DO - https://doi.org/10.1016/j.watres.2017.03.052 SN - 0043-1354 VL - 117 SP - 102 EP - 114 PB - Elsevier Ltd. AN - OPUS4-43304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Fernandez, L. A1 - Borzecka, W. A1 - Lin, Z. A1 - Huvaere, K. A1 - Esteves, V. I. A1 - Cunha, A. A1 - Tome, J. P. C. T1 - Nanomagnet-photosensitizer hybrid materials for the degradation of 17 beta-estradiol in batch and flow modes N2 - The preparation of porphyrins and phthalocyanines covalently attached onto nanostructured magnetic supports consisting of magnetite nanoparticles coated with an amorphous silica shell is reported. The easy recovery of these heterogeneous photocatalysts, just by applying an external magnetic field, allows their reuse in multiple treatment cycles. The photocatalytic activity of the non-immobilized photosensitizers and the obtained hybrid materials was evaluated in the degradation of 17 beta-estradiol, as a model organic pollutant present in water, using batch and flow mode treatment systems, assisted by visible light radiation (4 mW cm(-2)). The flow mode system potentiated the photocatalytic capacity of these novel hybrid materials. In order to improve the process, further studies based on different photocatalyst concentration and pH conditions were performed. Reuse capacity of these materials was investigated upon three photocatalytic cycles. KW - Photodegradation KW - 17 beta-Estradiol KW - Porphyrin PY - 2017 DO - https://doi.org/10.1016/j.dyepig.2017.04.010 SN - 0143-7208 VL - 142 SP - 535 EP - 543 PB - Elsevier Ltd. AN - OPUS4-43308 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V. I. A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Freitas, R. T1 - Ecotoxicity of the antihistaminic drug cetirizine to Ruditapes philippinarum clams N2 - Cetirizine (CTZ) is an antihistaminic drug present in the aquatic environment, with limited information on its toxicity to organisms inhabiting this system. This study intended to evaluate the effects of CTZ on oxidative stress and energy metabolism biomarkers in the edible clam Ruditapes philippinarum after a 28 days exposure to environmentally relevant CTZ concentrations (0.0, 0.3, 3.0, 6.0 and 12.0 mu g/L). The results obtained showed that CTZ was accumulated by clams reaching maximum concentrations (up to similar to 22 ng/g FW) at the highest CTZ exposure concentrations (6.0 and 12.0 mu g/L). The bioconcentration factor (average maximum values of similar to 5) decreased at 12.0 mu g/L reflecting a reduction in clams uptake or increase of excretion capacity at this condition. The present study revealed that, in general, clams decreased the metabolic potential after exposure to CTZ (decrease in electron transport system activity), a response that led to the maintenance of glycogen content in organisms exposed to CTZ in comparison to control values. Our findings also showed that, CTZ did not exert significant levels of oxidative injury to clams. However, comparing the control with the highest exposure concentrations (6.0 and 12.0 mu g/L) a significant increase of the antioxidant enzyme superoxide activity (similar to 53 and similar to 44%) was observed in clams exposed to CTZ. Moreover, a tendency to increase lipid peroxidation (similar to 14 and similar to 9%) and carbonyl groups on proteins (similar to 11 and similar to 3%) was observed in clams exposed to CTZ (6.0 and 12.0 mu g/L) compared to control condition. Overall the present study suggests that toxic impacts may be induced in R. philippinarum if exposed for longer periods or higher CTZ concentrations. KW - Antihistamines KW - Clams KW - Biomarkers PY - 2017 DO - https://doi.org/10.1016/j.scitotenv.2017.05.149 SN - 0048-9697 VL - 601 SP - 793 EP - 801 PB - Elsevier B.V. AN - OPUS4-43311 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hakim, I. A1 - Schumacher, David A1 - Sundar, V. A1 - Donaldson, S. A1 - Creuz, A. A1 - Schneider, R. A1 - Keller, J. A1 - Browning, C. A1 - May, D. A1 - Abo Ras, M. A1 - Meyendorf, N. ED - Chimenti, D. E. ED - Bond, L. J. T1 - Volume imaging NDE and serial sectioning of carbon fiber composites N2 - A composite material is a combination of two or more materials with very different mechanical, thermal and electrical properties. The various forms of composite materials, due to their high material properties, are widely used as structural materials in the aviation, space, marine, automobile, and sports industries. However, some defects like voids, delamination, or inhomogeneous fiber distribution that form during the fabricating processes of composites can seriously affect the mechanical properties of the composite material. In this study, several imaging NDE techniques such as: thermography, high frequency eddy current, ultrasonic, x-ray radiography, x-ray laminography, and high resolution x-ray CT were conducted to characterize the microstructure of carbon fiber composites. Then, a 3D analysis was implemented by the destructive technique of serial sectioning for the same sample tested by the NDE methods. To better analyze the results of this work and extract a clear volume image for all features and defects contained in the composite material, an intensive comparison was conducted among hundreds of 3D-NDE and multi serial sections’ scan images showing the microstructure variation. T2 - 44TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION CY - Provo, Utah, USA DA - 16.07.2017 KW - Carbon fiber reinforced polymers KW - Non-destructive testing KW - Thermography KW - Eddy current KW - Ultrasound KW - X-ray radiography KW - X-ray laminography KW - X-ray computed tomography KW - Serial sectioning PY - 2018 DO - https://doi.org/10.1063/1.5031590 VL - 1949 SP - 120003-1 EP - 120003-10 PB - AIP Publishing AN - OPUS4-45173 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Almeida, Â. A1 - Freitas, R. A1 - Calisto, V. A1 - Esteves, V. I. A1 - Schneider, Rudolf A1 - Soares, A. M. V. M. A1 - Figueira, E. A1 - Campos, B. A1 - Barata, C. T1 - Effects of carbamazepine and cetirizine under an ocean acidification scenario on the biochemical and transcriptome responses of the clam Ruditapes philippinarum N2 - Several works evaluated the toxicity of pharmaceutical drugs and climate related changes in invertebrates but few explored the combined effects of both stressors, namely considering their mode of action (MoA). Carbamazepine (CBZ) and cetirizine (CTZ) are pharmaceutical drugs detected in the environment and the toxicity derived from the combined effects of these drugs with ocean acidification (OA) is poorly explored. Thus, the present study investigated the biochemical parameters related to an oxidative stress response and the transcription of genes related to the MoA of CBZ (1.0 mg/L) and CTZ (0.6 mg/L) in the clam Ruditapes philippinarum chronically exposed (28 days) to control (7.8) and low (7.5) pH conditions. The results obtained showed that despite the clams accumulated both drugs, at low pH the clams exposed to CTZ decreased drug concentration and BCF values (CTZ uptake: 2.0 ± 0.5 ng/g fresh weight; BCF: 3.8 ± 0.9) in comparison with clams exposed to control pH (CTZ uptake: 2.9 ± 0.3 ng/g fresh weight; BCF: 5.5 ± 0.6). No oxidative stress was induced by the exposure to CBZ or CTZ at each pH level, but the transcription of several genes related with the MoA (neurotransmission, immunity and biomineralization) was altered by low pH, drug exposure and the combination of both stressors. At both pH conditions, CBZ increased the transcription of GABA receptor gene (neurotransmission) and CTZ led to a decrease of Perlucin gene (biomineralization) transcription. The transcription of MyD88 gene (immunity) decreased at low pH (7.5) combined with drug exposure (CBZ or CTZ). Thus, it was highlighted that the interaction of drug exposure and low pH conditions can change bivalves’ sensitivity to drugs or alter drugs toxicity. KW - Carbamazepine KW - Biomarker KW - ELISA KW - Biochemische Parameter PY - 2018 DO - https://doi.org/10.1016/j.envpol.2017.12.121 SN - 0269-7491 VL - 235 SP - 857 EP - 868 PB - Elsevier Ltd. CY - Amsterdam, NL AN - OPUS4-44739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fernández, L. A1 - Lin, Z. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Cunha, Â. A1 - Tomé, J. P. C. T1 - Antimicrobial Photodynamic Activity of Cationic Nanoparticles Decorated with Glycosylated Photosensitizers for Water Disinfection N2 - The antimicrobial photodynamic approach has been demonstrated as an efficient and sustainable process for the eradication of microbial pathogens. In this work, silica-coated Magnetite nanoparticles (NPs) were used as carriers of glycosylated porphyrins and phthalocyanines. Their subsequent cationization resulted in the production of stable antimicrobial photosensitizing materials, effective against E. coli. Suspensions of the photocatalysts in water present bimodal size distributions formed by big clusters and small NPs with hydrodynamic diameters between 8 and 38 nm. The presence of small NPs in the suspensions is related to an effective photodynamic inactivation (PDI) of E. coli cells. Glycosylation of the PS showed a positive effect on the PDI performance, which could be related to a higher accumulation of the photocatalyst over the bacterial cell membrane. In addition, these biocidal agents proved to be photostable and their photoactive performance decreased only between 23% and 28% upon 5 PDI cycles, mostly because of the loss of material between cycles, which makes them promising materials for water disinfection purposes. KW - Photodynamische Inaktivierung KW - E. coli KW - Photokatalyse KW - Bakterien KW - Nanopartikel KW - Photosensibilisator KW - Porphyrin KW - Phthalocyanin PY - 2018 DO - https://doi.org/10.1002/cptc.201700169 SN - 2367-0932 VL - 2 IS - 7 SP - 596 EP - 605 PB - Wiley VHC CY - Weinheim AN - OPUS4-45684 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hille, Falk A1 - Herrmann, Ralf A1 - Schneider, Ronald A1 - Pitters, S. A1 - Wedel, F. A1 - Hindersmann, I. T1 - Developing a guideline for structural health monitoring of road bridges in Germany N2 - In recent years, Structural Health Monitoring (SHM) has become a useful and increasingly widely used tool for supporting lifetime extensions of existing bridges with known structural deficiencies or indications of potentially critical damages or damage processes. At the same time, methods and tools are emerging, which enable monitoring-informed predictive maintenance of new and existing bridges based on digital twins. The monitoring process – starting from the definition of monitoring actions and ending with decisions based on monitoring outcomes – is complex and requires expertise in structural engineering, operation and maintenance of bridges, metrology, and data analytics. To support German road authorities, engineering consultancies, building contractors and other stakeholders of the bridge management, the Federal Highway Research Institute (BASt) has initiated the development of a new guideline for applying SHM as part of the management of road bridges. The guideline will present various use cases and for each identified use case, it will propose a proven monitoring scheme. In addition, the guideline will provide guidance on assessing the benefits of SHM as well as a common approach to managing monitoring data as a systematic basis for integrating monitoring data in the bridge management. This contribution discusses the motivation, objectives, and scope of the guideline, describes its use case centric structure and outlines the proposed data management. T2 - IABMAS 2024 CY - Kopenhagen, Danmark DA - 24.06.2024 KW - Guideline KW - Structural health monitoring KW - Road bridges KW - Infrastructure PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613947 SN - 978-1-032-77040-6 DO - https://doi.org/10.1201/9781003483755-236 SP - 2009 EP - 2017 PB - CRC Press AN - OPUS4-61394 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wedel, F. A1 - Pitters, S. A1 - Herrmann, Ralf A1 - Schneider, Ronald A1 - Hille, Falk A1 - Hindersmann, I. T1 - Guideline for the strategic application of monitoring of road bridges in Germany N2 - Engineering structures are an important part of our transport infrastructure. Their failure is associated with high safety risks and economic damage. Ensuring the availability of these constructions and guaranteeing their operational safety are thus important tasks. Currently, maintenance of engineering structures is a reactive process and therefore not yet a predictive process. Every 3 to 6 years, the structures are visually inspected, all damages are documented and a condition grade is assigned to the structure based on the detected damages. Continuous data-providing methods such as monitoring are used only very occasionally. With the help of monitoring, condition data about the structures are continuously collected, which can be used for a better assessment of the structures. On the one hand, this would increase safety of engineering structures, and on the other hand, it makes the shift towards predictive maintenance management based on real-time data and predictions, where the onset of damage is detected before it occurs, possible in the first place. Monitoring plays therefore an important role in the management of the infrastructure. It is a crucial a step towards the digitalisation of our infrastructure and existing processes. Although there are many use cases for monitoring that have already been successfully implemented, monitoring is not yet widely used by German road authorities due to several challenges that were also identified within the scope of the project. Therefore, a guide has been developed in which the current obstacles related to monitoring are identified and possibilities for integrating monitoring into existing processes are offered. To ensure optimal alignment with the needs of road authorities, both an online survey and a workshop have been conducted. The results are summarised in a brochure that is made available to authorities to improve the use of monitoring in Germany. This paper presents the guideline and the brochure. T2 - 10th European Workshop on Structural Health Monitoring (EWSHM 2024) CY - Potsdam, Germany DA - 10.06.2024 KW - Verkehrsinfrastrukturen KW - Engineering Structures KW - Bridges KW - Structural Health Monitoring KW - Guideline PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612821 UR - https://www.ndt.net/search/docs.php3?id=29582 DO - https://doi.org/10.58286/29582 SN - 1435-4934 VL - 29 IS - 7 SP - 1 EP - 8 PB - NDT.net GmbH & Co. KG CY - Mayen AN - OPUS4-61282 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Herrmann, Ralf A1 - Hille, Falk A1 - Pitters, S. A1 - Ramasetti, Eshwar Kumar A1 - Schneider, Ronald A1 - Wedel, F. A1 - Hindersmann, I. ED - Rogge, Andreas ED - Meng, Birgit T1 - Föderiertes Datenmanagement von Monitoringdaten aus Structural Health Monitoring Anwendungen und daraus gewonnenen Trainingsdaten bei Spannbetonbrücken N2 - Beim Structural Health Monitoring entstehen eine Vielzahl von Daten, Metadaten und Modellen mit hohem Wert für die Beurteilung des Bauwerkszustands und der Prognose von Veränderungen. Kontinuierlich anwachsende Datenbestände müssen nachhaltig geteilt, genutzt und über die Bauwerkslebensdauer archiviert werden. Dabei stellen die Vielfalt der Messaufgaben, die Heterogenität der Daten, die dezentrale Erfassung und z. T. der Umfang eine Herausforderung für die beteiligten Akteure dar. Für den Datentransfer der Monitoringdaten zwischen der Straßenbauverwaltung und den Monitoringausführenden wird ein flexibles Abstimmungsverfahren vorgeschlagen und ein Lösungskonzept für ein föderiertes Datenmanagement skizziert. Eine weitere Herausforderung stellt die bauwerksübergreifende Zusammenstellung von Trainingsdaten für konkrete KI-Anwendungen dar. T2 - 11. Jahrestagung des DAfStb mit 63. Forschungskolloquium der BAM Green Intelligent Building CY - Berlin, Germany DA - 16.10.2024 KW - Structural Health Monitoring PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612902 SN - 978-3-9818564-7-7 SP - 178 EP - 185 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-61290 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hille, Falk A1 - Herrmann, Ralf A1 - Pitters, S. A1 - Hindersmann, I. A1 - Schneider, Ronald A1 - Wedel, F. ED - Rogge, Andreas ED - Meng, Birgit T1 - Leitfaden für den strategischen Einsatz von Monitoring an Straßenbrücken N2 - Für die Anwendung von Structural Health Monitoring (SHM) im Rahmen des Managements von Straßenbrü-cken wurde zur Unterstützung von Straßenbauverwaltungen, Ingenieurbüros, Bauunternehmen und weiteren Akteuren die Erstellung eines Leitfadens initiiert. Dieser Leitfaden stellt typische Anwendungsfälle für Monito-ring vor und schlägt für diese bewährte Herangehensweisen vor. Darüber hinaus bietet der Leitfaden Empfeh-lungen für Ausschreibung und Vergabe von Monitoringleistungen, eine Anleitung zur Bewertung des wirt-schaftlichen Nutzens von SHM, Hinweise zur optimal einsetzbaren Messtechnik sowie einen Ansatz für das Datenmanagement zur Integration der Monitoringdaten in das Brückenmanagement. T2 - 11. Jahrestagung des DAfStb mit 63. Forschungskolloquium der BAM Green Intelligent Building CY - Berlin, Germany DA - 16.10.2024 KW - Leitfaden KW - Monitoring KW - Straßenbrücke PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612931 SN - 978-3-9818564-7-7 SP - 186 EP - 191 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-61293 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ramos, Inês I. A1 - Carl, Peter A1 - Schneider, Rudolf A1 - Segundo, Marcela A. T1 - Development of automated immunosensing methods for clinical and environmental Analysis using lab-on-valve platforms N2 - The lab-on-valve (LOV) is a mesofluidic platform that has been recently exploited for the automation and miniaturization of bioanalytical assays, resorting namely to molecular recognition schemes based on immunosensing. Due to its high versatility for reagent accommodation, it is possible to establish immunoassays under several formats (eg. direct competitive ELISA, sandwich ELISA or even label-free immunoaffinity chromatography). For instance, the LOV has been used as a manifold for UV-vis micro-Bead Injection Spectroscopy (μ-BIS), a technique that involves the quantification of the target analyte by direct measurement on the surface of a solid phase capable of retaining the target analyte by molecular recognition. The μ-BIS-LOV strategy affords several analytical advantages, namely short time-toresult intervals (3 to 15 min), low sample volume (1-20 μL), automated solution handling and washing steps, downscaling of reagents’ consumption, low-cost analysis and little generation of waste. Additionally, the solid support is renewed before each determination, minimizing surface fouling, cross-contamination issues and functional group deactivation. No sample clean-up steps are required because interferences are separated from the target analyte upon quantification mediated by a molecular recognition element attached to the micro-bead column. The portability of the LOV device makes it compatible with point-of-care testing. To our knowledge, this technique has been mainly employed for the evaluation and optimization of bioaffinity processes, but its potential for clinical and environmental analysis remains underexploited. Hence, in this communication, different immunosensing strategies using the LOV platform will be addressed, namely the determination of autoimmune IgG in human serum, and the assessment of drug (carbamazepine) levels in wastewater samples. T2 - EBS 2017 CY - Potsdam, Germany DA - 20.03.2017 KW - Lab-on-valve KW - Automation KW - Immunoassay PY - 2017 AN - OPUS4-39521 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Almeida, Ângela A1 - Calisto, Vânia A1 - Domingues, M. Rosário M. A1 - Esteves, Valdemar I. A1 - Schneider, Rudolf A1 - Soares, Amadeu M.V.M. A1 - Figueira, Etelvina A1 - Freitas, Rosa T1 - Comparison of the toxicological impacts of carbamazepine and a mixture of its photodegradation products in Scrobicularia plana N2 - In the aquatic environment, pharmaceutical drugs are submitted to degradation processes, where pho-todegradation is one of the most important mechanisms affecting the fate, persistence and toxicity of thecompounds. Carbamazepine, a widely used antiepileptic, is known to suffer photodegradation in waterbodies and generate photoproducts, some of them with higher potential toxicity than the parent com-pound. Therefore, to evaluate the toxic effects of CBZ when combined with its photoproducts, an acuteexposure (96 h) with the edible clam Scrobicularia plana was performed using environmental concentra-tions of CBZ (0.00–9.00 µg/L) irradiated (and non-irradiated) with simulated solar radiation. The analysisof the irradiated CBZ solutions by mass spectrometry revealed the formation of 5 photoproducts, includ-ing acridine (a compound known to be carcinogenic). Oxidative stress results showed that the exposureto CBZ photoproducts did not increase the toxicity to clams, by comparison with the parent compound. KW - Pharmaceutical drugs KW - Photodegradation KW - Biomarkers KW - Oxidative stress KW - Bivalves PY - 2017 DO - https://doi.org/10.1016/j.jhazmat.2016.05.009 VL - 323 SP - 220 EP - 232 PB - Elsevier B.V. AN - OPUS4-39151 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Santos, S. A1 - Costa, C. A. E. A1 - Duarte, A. C. A1 - Scherer, H. W. A1 - Schneider, Rudolf A1 - Esteves, V. I. A1 - Santos, E. B. H. T1 - Influence of different organic amendments on the potential availability of metals from soil: A study on metal fractionation and extraction kinetics by EDTA N2 - The effects of long-term application of different organic amendments, as compared to mineral fertilizer, on Zn, Cu and Pb content and leachability in a luvisol derived from loess were assessed. The organic fertilizers, applied since 1962, were compost (COM) – from green organic household waste, sewage sludge (SLU) – from municipal water treatment facilities, farmyard manure (FYM) and the doses applied since 1997 were 90 t ha-1, 10 t ha-1 and 9 t ha-1, once in 3 years, respectively. The kinetics of metals extraction with 0.05 mol dm-3 EDTA at pH 6.0 has been studied. The two first-order reactions model was fitted to the kinetic data and allowed to distinguish two pools for each metal: a 'labile' fraction (Q1), quickly extracted with a rate constant k1, and a 'moderately labile' fraction (Q2), more slowly extracted, with a rate constant k2. Simultaneously, the pseudo-total metal contents in the soil samples were determined after digestion with aqua regia (3:1 HCl + HNO3). The obtained parameters Q1, k1, Q2, k2, for the kinetics of extraction of each metal in the three replicates of each fertilization mode, as well as the pseudo-total metal contents, were statistically analysed. COM and SLU application resulted in an increase of the total contents of Pb, Zn and Cu in soil. Further, the percentage of labile Zn and Pb also increased in consequence of the application of those amendments, particularly COM. The increase was more noticeable for Zn. FYM, despite not increasing the total content of Pb, Zn or Cu, did also have an effect on the leachability of Zn and Pb, increasing their labile fraction in soil. These results point to a potential risk of increasing metals mobility in soil, mainly Zn, associated to the use of organic amendments, particularly COM or SLU. KW - Compost KW - Sewage sludge KW - Soils KW - Metal mobility KW - EDTA KW - Kinetics PY - 2010 DO - https://doi.org/10.1016/j.chemosphere.2009.11.008 SN - 0045-6535 SN - 0366-7111 VL - 78 IS - 4 SP - 389 EP - 396 PB - Elsevier Science CY - Kidlington, Oxford AN - OPUS4-22187 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Anker, Andy S. A1 - Aspuru-Guzik, Alán A1 - Ben Mahmoud, Chiheb A1 - Bennett, Sophie A1 - Briling, Ksenia R. A1 - Changiarath, Arya A1 - Chong, Sanggyu A1 - Collins, Christopher M. A1 - Cooper, Andrew I. A1 - Crusius, Daniel A1 - Darmawan, Kevion K. A1 - Das, Basita A1 - David, Nicholas A1 - Day, Graeme M. A1 - Deringer, Volker L. A1 - Duarte, Fernanda A1 - Eardley-Brunt, Annabel A1 - Evans, Matthew L. A1 - Evans, Rob A1 - Fairlamb, Ian A1 - Franklin, Barnabas A. A1 - Frey, Jeremy A1 - Ganose, Alex M. A1 - Goulding, Mark A1 - Hafizi, Roohollah A1 - Hakkennes, Matthijs A1 - Hickey, Niamh A1 - James, Gillian A1 - Jelfs, Kim E. A1 - Kalikadien, Adarsh V. A1 - Kapil, Venkat A1 - Koczor-Benda, Zsuzsanna A1 - Krammer, Ferdinand A1 - Kulik, Heather J. A1 - Kumar, Vishank A1 - Kuttner, Christian A1 - Lam, Erwin A1 - Lou, Yuchen A1 - Mante, Eltjo A1 - Martin, Jennie A1 - Mroz, Austin M. A1 - Nematiaram, Tahereh A1 - Pare, Charles W. P. A1 - Patra, Sarbani A1 - Proudfoot, James A1 - Ruscic, Branko A1 - Ryder, Matthew R. A1 - Sakaushi, Ken A1 - Saßmannshausen, Jörg A1 - Savoie, Brett M. A1 - Schneider, Nadine A1 - Schwaller, Philippe A1 - Skjelstad, Bastian Bjerkem A1 - Sun, Wenhao A1 - Szczypiński, Filip T. A1 - Torrisi, Steven A1 - Ueltzen, Katharina A1 - Vishnoi, Shubham A1 - Walsh, Aron A1 - Wang, Xinwei A1 - Wilson, Chloe A1 - Wu, Ruiqi A1 - Zeitler, Jakob T1 - Discovering structure–property correlations: General discussion N2 - This article is a discussion of the paper "Web-BO: Towards increased accessibility of Bayesian optimisation (BO) for chemistry" by Austin M. Mroz, Piotr N. Toka, Ehecatl Antonio del Río Chanona and Kim E. Jelfs (Faraday discussions, 2025, 256, 221-234). KW - Materials design KW - Machine learning KW - Automation KW - Materials discovery PY - 2025 DO - https://doi.org/10.1039/d4fd90062f SN - 1359-6640 SN - 1364-5498 VL - 256 IS - Themed collection: Data-driven discovery in the chemical sciences SP - 373 EP - 412 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-62208 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schneider, Thomas A1 - Vierneusel, B. A1 - Gradt, Thomas A1 - Tremmel, S. A1 - Wartzack, S. A1 - Szücs, Z. A1 - Arendt, I. T1 - Optimierte MoS2-PVD-Schichten für wechselnde Umgebungsbedingungen N2 - Der Festschmierstoff Molybdändisulfid ist insbesondere für Extremanwendungen, bei denen konventionelle Öl- oder Fettschmierung nicht in Frage kommen (Vakuum, hohe Pressungen) ein gerne eingesetzter Werkstoff. Problematisch ist jedoch der negative Einfluss von Feuchtigkeit, wodurch die Einsetzbarkeit von M0S2 unter Normalbedingungen leidet. Bei mittels PVD-Verfahren abgeschiedenen MoSa-Schichten ergibt sich jedoch die Möglichkeit, durch Anpassung der Beschichtungsparameter vorwiegend basal ausgerichtete Schichten herzustellen, die auch an normal feuchter Luft ein verbessertes tribologisches Verhalten zeigen. MoSa-Schichten sind darüber hinaus auch für Anwendungen bei extrem tiefen Temperaturen interessant, da hier kein Schmierstoff zur Verfügung steht, der ähnlich günstige Reibeigenschaften aufweist. Für bewegliche Stützelemente zwischen supraleitenden Magnetspulen des Kernfusions-Experiments Wendelstein 7-X waren bis zu 7 pm dicke Schichten entwickelt worden, die jedoch durch das notwendige langsame Aufwachsen für andere Anwendungen nicht wirtschaftlich herzustellen waren. Hier sollen neue, im Rahmen eines Kooperationsprojekts entstandene MoS2-PVD-Schichten vorgestellt werden, die bei wechselnden Umgebungsbedingungen noch gute tribologische Eigenschaften liefern, jedoch durch ihre Dicke von 1-2 pm und hoher Aufwachsrate kostengünstig sind. N2 - The solid lubricant molybdenum disulfide is a well known material for extreme conditions where conventlonal oll or grease lubrication is not feasible (vacuum, high pressures). Problems arise due to a negative effect of humidity which is a drawback for the suitability of M0S2 under normal conditions. However, by using a PVD process, Deposition parameters can be optimized to gain coatings with a more textured structure orienting the basal planes parallel to the Substrate surface. Therefore, an improved tribological behavior even under moist conditions can be achieved. MoS2-coatings additionally are interesting candidates for being applied under cryogenic temperatures, since no lubricant is available having similarly favorable frictional properties. Up to 7 pm thick coatings have been developed especially for sliding support elements between superconducting magnets of the fusion-experiment Wendelstein 7-X, however, the extremely slow deposition rate precluded its utilization on more common tribo-systems due to cost considerations. Here, new MoS2-coatings are presented which were developed in a cooperational project, giving good tribological results under variing environments but are more cost effective being only 1-2 pm in thickness and faster in film growth.. T2 - 53. Tribologie-Fachtagung - Reibung, Schmierung und Verschleiß CY - Göttingen, Germany DA - 24.09.2012 PY - 2012 SN - 978-3-00-039201-6 SP - 46/1 EP - 46/12 CY - Aachen AN - OPUS4-26724 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hickel, Tilmann A1 - Divinski, S. A1 - Starikov, S. A1 - Soisson, F. A1 - Mény, C. A1 - Hegde, O. A1 - Gerlitz, M. A1 - Magnifouet, G. A1 - Schneider, A. A1 - Barreteau, C. A1 - Mirebeau, I. A1 - Tran, V.T. A1 - Förster, G. A1 - Front, A. A1 - Egorov, A. A1 - Wilde, G. A1 - Amara, H. A1 - Hammerschmidt, T. A1 - Mrovec, M. A1 - Pierron-Bohnes, V. A1 - Drautz, R. A1 - Fu, C. T1 - Magnetism in iron alloys: methodological advances for thermodynamics, defects, and kinetics N2 - Steels are among the technologically and economically most relevant materials. Key innovations in important sectors of human society such as mobility, energy and safety, are currently based on alloying of Fe with other transition-metal elements such as Mn, Cr, or Co. Due to strong impacts and conceptual challenges related to magnetism, however, the fundamental understanding and the ability to computationally design these steels in high-throughput approaches lags behind other classes of alloys. In this article, we will provide a substantial review of the role of magnetism, magnetic excitations and transformations for alloy thermodynamics, point defects, interfaces and kinetics. This will be achieved by combining insights from different methods: Ab initio simulations have the advantage that the magnetic ground state is intrinsic part of the electronic minimization. Due to the coarsening of the many-electron structures and therewith magnetic interactions, tight-binding methods can handle larger system sizes. Effective interaction models provide the freedom to exploit more sophisticated magnetic interactions. The performance of these methods in terms of magnetic properties of Fe alloys will be evaluated by providing state-of-the-art results for their sensitivity to magnetism. Furthermore, dedicated experiments will be discussed to complete the understanding of magnetic effects in Fe alloys and to validate the modeling strategy. KW - Magnetic excitations KW - Defects KW - Diffusion KW - Density functional theory KW - Tight-binding KW - Effective interaction models PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634530 DO - https://doi.org/10.1515/ijmr-2023-0225 SN - 1862-5282 VL - 60 IS - 99 SP - 1 EP - 14761 PB - Walter de Gruyter GmbH AN - OPUS4-63453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, I. A1 - Kebelmann, Katharina A1 - Risse, S. A1 - Dieguez-Alonso, A. A1 - Schartel, Bernhard A1 - Strecker, C. A1 - Behrendt, F. T1 - Hydroliquefaction of Two Kraft Lignins in a Semibatch Setup under Process Conditions Applicable for Large-Scale Biofuel Production N2 - Hydroliquefaction is a possible pathway to produce liquid transportation fuels from solid feedstocks like coal or biomass. Though much effort has been put into the investigation of maximizing the oil yield using expensive catalysts and pasting oils in batch setups, little is known about how to commercialize the process. This work aims at the demonstration of lignin hydroliquefaction under conditions interesting for commercial operation. The results from hydroliquefaction experiments of two different lignin types using a cheap iron-based catalyst and anthracene oil as the pasting oil in a semibatch system are presented here. Oil yields of above 50% are reached without observing coke formation. Extensive analyses of the feedstocks and product oils were performed. The process supplies high-quality oil, while differences in the decomposition path of both lignin types are observed. An high heating value of 39 400 J/g and H/C and O/C ratios of up to 1.6 and 0.1, respectively, are detected for the produced bio-oils. KW - Lignin KW - Hydroliquefaction KW - Biofuel PY - 2019 DO - https://doi.org/10.1021/acs.energyfuels.9b02572 SN - 0887-0624 SN - 1520-5029 VL - 33 IS - 11 SP - 11057 EP - 11066 PB - ACS AN - OPUS4-50102 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Carl, Peter A1 - Ramos, Inês I. A1 - Segundo, Marcela A. A1 - Schneider, Rudolf T1 - Antibody conjugation to carboxyl-modified microspheres through N-hydroxysuccinimide chemistry for automated immunoassay applications: A general procedure N2 - Immunochemical techniques are the workhorse for sample enrichment and detection of a large variety of analytes. In contrast to classical microtiter plate-based assays, microparticles are a next generation solid support, as they promote automation of immunoassays using flow-based techniques. Antibody immobilization is a crucial step, as these reagentsmare expensive, and inefficient coupling can result in low sensitivities. This paper proposes a general procedure for efficient immobilization of antibodies onto TentaGel particles, via Nhydroxysuccinimide chemistry. The goal was the preparation of solid supports with optimum immunorecognition, while increasing the sustainability of the process. The influence of buffer composition, activation and coupling time, as well as the amount of antibody on the immobilization efficiency was investigated, resorting to fluorophore-labeled proteins and fluorescence imaging. Buffer pH and activation time are the most important parameters for efficient coupling. It is demonstrated, that the hydrolysis of N-hydroxysuccinimide esters occurs at similar rates as in solution, limiting the utilizable time for coupling. Finally, applicability of the generated material for automated affinity extraction is demonstrated on the mesofluidic platform lab-on-valve. KW - Mesofluidics KW - Bead injections KW - ELISA KW - Carbamazepine KW - Biomarkers PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-483919 DO - https://doi.org/10.1371/journal.pone.0218686 SN - 1932-6203 VL - 14 IS - 6 SP - e0218686, 1 EP - 18 PB - Public Library of Science CY - San Francisco, California, USA AN - OPUS4-48391 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mi, W. A1 - Josephs, R. D. A1 - Melanson, J. E. A1 - Dai, X. A1 - Wang, Y. A1 - Zhai, R. A1 - Chu, Z. A1 - Fang, X. A1 - Thibeault, M.-P. A1 - Stocks, B. B. A1 - Meija, J. A1 - Bedu, M. A1 - Martos, G. A1 - Westwood, S. A1 - Wielgosz, R. I. A1 - Liu, Q. A1 - Teo, T. L. A1 - Liu, H. A1 - Tan, Y. J. A1 - Öztuğ, M. A1 - Saban, E. A1 - Kinumi, T. A1 - Saikusa, K. A1 - Schneider, Rudolf A1 - Weller, Michael G. A1 - Konthur, Zoltán A1 - Jaeger, Carsten A1 - Quaglia, M. A1 - Mussell, C. A1 - Drinkwater, G. A1 - Giangrande, C. A1 - Vaneeckhoutte, H. A1 - Boeuf, A. A1 - Delatour, V. A1 - Lee, J. E. A1 - O'Connor, G. A1 - Ohlendorf, R. A1 - Henrion, A. A1 - Beltrão, P. J. A1 - Naressi Scapin, S. M. A1 - Sade, Y. B. T1 - PAWG Pilot Study on Quantification of SARS-CoV-2 Monoclonal Antibody - Part 1 N2 - Under the auspices of the Protein Analysis Working Group (PAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) a pilot study, CCQM-P216, was coordinated by the Chinese National Institute of Metrology (NIM), National Research Council of Canada (NRC) and the Bureau International des Poids et Mesures (BIPM). Eleven Metrology Institutes or Designated Institutes and the BIPM participated in the first phase of the pilot study (Part 1). The purpose of this pilot study was to develop measurement capabilities for larger proteins using a recombinant humanized IgG monoclonal antibody against Spike glycoprotein of SARS-CoV-2 (Anti-S IgG mAb) in solution. The first phase of the study was designed to employ established methods that had been previously studies by the CCQM Protein Analysis Working Group, involving the digestion of protein down to the peptide or amino acid level. The global coronavirus pandemic has also led to increased focus on antibody quantitation methods. IgG are among the immunoglobulins produced by the immune system to provide protection against SARS-CoV-2. Anti-SARS-CoV-2 IgG can therefore be detected in samples from affected patients. Antibody tests can show whether a person has been exposed to the SARS-CoV-2, and whether or not they potentially show lasting immunity to the disease. With the constant spread of the virus and the high pressure of re-opening economies, antibody testing plays a critical role in the fight against COVID-19 by helping healthcare professionals to identify individuals who have developed an immune response, either via vaccination or exposure to the virus. Many countries have launched large-scale antibody testing for COVID-19. The development of measurement standards for the antibody detection of SARS-CoV-2 is critically important to deal with the challenges of the COVID-19 pandemic. In this study, the SARS-CoV-2 monoclonal antibody is being used as a model system to build capacity in methods that can be used in antibody quantification. Amino acid reference values with corresponding expanded uncertainty of 36.10 ± 1.55 mg/kg, 38.75 ± 1.45 mg/kg, 18.46 ± 0.78 mg/kg, 16.20 ± 0.67 mg/kg and 30.61 ± 1.30 mg/kg have been established for leucine, valine, phenylalanine, isoleucine and proline, respectively. Agreement between nearly all laboratories was achieved for the amino acid analysis within 2 to 2.5 %, with one participant achieving markedly higher results due to a technical issue found in their procedure; this result was thus excluded from the reference value calculations. The relatively good agreement within a laboratory between different amino acids was not dissimilar to previous results for peptides or small proteins, indicating that factors such as hydrolysis conditions and calibration procedures could be the largest sources of variability. Peptide reference values with corresponding expanded uncertainty of 4.99 ± 0.28 mg/kg and 6.83 ± 0.65 mg/kg have been established for ALPAPIEK and GPSVFPLAPSSK, respectively. Not surprisingly due to prior knowledge from previous studies on peptide quantitation, agreement between laboratories for the peptide-based analysis was slightly poorer at 3 to 5 %, with one laboratory's result excluded for the peptide GPSVFPLAPSSK. Again, this level of agreement was not significantly poorer than that achieved in previous studies with smaller or less complex proteins. To reach the main text of this paper, click on Final Report. KW - Antibody quantification KW - Amino acid analysis KW - Peptide analysis KW - Round robin test PY - 2021 DO - https://doi.org/10.1088/0026-1394/59/1a/08001 VL - 59 IS - 1A SP - 08001 AN - OPUS4-54972 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoffmann, Holger A1 - Baldofski, Stefanie A1 - Hoffmann, Kristin A1 - Flemig, Sabine A1 - Silva, C. P. A1 - Esteves, V. I. A1 - Emmerling, Franziska A1 - Panne, Ulrich A1 - Schneider, Rudolf T1 - Structural considerations on the selectivity of an immunoassay for sulfamethoxazole N2 - Sulfamethoxazol (SMX),a sulfonamide, is a widely used bacteriostatic antibiotic and therefore a promising marker for the entry of anthropogenic Pollution in the environment. SMX is frequently found in wastewater and surface water. This study presents the production of high affinity and selective polyclonal antibodies for SMX and the development and Evaluation of a direct competitive enzyme-linked immunosorbent assay(ELISA)for the quantification of SMX in environmental watersamples. The crystal structures of the cross-reacting compounds sulfamethizole, N4-acetyl-SMX andsuccinimidyl-SMX were determined by x-ray diffraction aiming to explain their high cross-reactivity. These crystal structures are described for the first time. The quantification range of the ELISA is 0.82–63 µg/L. To verify our results, the SMX concentration in 20 environmental samples,including wastewater and surfacewater,was determined by ELISA and tandem mass spectrometry(MS/MS).A good Agreement of the measured SMX concentrations was found with average recoveries of 97–113%for the results of ELISA compared to LC-MS/MS. KW - X-Ray diffraction KW - Sulfamethoxazole KW - ELISA KW - LC-MS/MS PY - 2016 DO - https://doi.org/10.1016/j.talanta.2016.05.049 SN - 0039-9140 SN - 1873-3573 IS - 158 SP - 198 EP - 207 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-36676 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoffmann, Holger A1 - Baldofski, Stefanie A1 - Hoffmann, Kristin A1 - Flemig, Sabine A1 - Silva, C. P. A1 - Esteves, V. I. A1 - Emmerling, Franziska A1 - Panne, Ulrich A1 - Schneider, Rudolf T1 - Structural considerations on the selectivity of an immunoassay for sulfamethoxazole N2 - Sulfamethoxazol (SMX),a sulfonamide, is a widely used bacteriostatic antibiotic and therefore a promising marker for the entry of anthropogenic Pollution in the environment. SMX is frequently found in wastewater and surface water. This study presents the production of high affinity and selective polyclonal antibodies for SMX and the development and Evaluation of a direct competitive enzyme-linked immunosorbent assay(ELISA)for the quantification of SMX in environmental watersamples. The crystal structures of the cross-reacting compounds sulfamethizole, N4-acetyl-SMX andsuccinimidyl-SMX were determined by x-ray diffraction aiming to explain their high cross-reactivity. These crystal structures are described for the first time. The quantification range of the ELISA is 0.82–63 µg/L. To verify our results, the SMX concentration in 20 environmental samples,including wastewater and surfacewater,was determined by ELISA and tandem mass spectrometry(MS/MS).A good Agreement of the measured SMX concentrations was found with average recoveries of 97–113%for the results of ELISA compared to LC-MS/MS. KW - X-Ray diffraction KW - ELISA KW - LC-MS/MS KW - Sulfamethoxazole PY - 2016 DO - https://doi.org/10.1016/j.talanta.2016.05.049 SN - 0039-9140 SN - 1873-3573 IS - 158 SP - 198 EP - 207 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-38530 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Silva, C.P. A1 - Lima, D.L.D. A1 - Schneider, Rudolf A1 - Otero, M. A1 - Esteves, V.I. T1 - Evaluation of the anthropogenic input of caffeine in surface waters of the north and center of Portugal by ELISA N2 - This study comprises the development of an enzyme-linked immunosorbent assay (ELISA) for the quantification of caffeine in complex aqueous matrices without any sample clean-up procedure. Salinity and dissolved organic matter were selected as potential interfering agents. The addition of a sample buffer containing bovine serum albumin (BSA) prior to the sample was found to decrease the influence of those interfering agents. The working range of the developed method was 0.1–100 µg L- 1. Quantification of caffeine was possible in 43 out of 51 real aqueous samples, at values between < LOD and 15 µg L- 1. Results correlate well with those obtained by LC–MS/MS. To the best of our knowledge this is the first study dealing with the quantification of caffeine in Portugal's surface waters. KW - Caffeine KW - Surface water KW - ELISA KW - Anthropogenic markers KW - Koffein KW - Eintrag KW - Oberflächenwasser KW - Gewässer KW - Abwasser KW - Antikörper KW - Immunoassay PY - 2014 DO - https://doi.org/10.1016/j.scitotenv.2014.01.120 SN - 0048-9697 VL - 479-480 SP - 227 EP - 232 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-30450 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Freitas, R. A1 - Almeida, Ângela A1 - Calisto, V. A1 - Velez, C. A1 - Moreira, A. A1 - Schneider, Rudolf A1 - Esteves, V.I. A1 - Wrona, F. J. A1 - Soares, A.M.V.M. A1 - Figueira, E. T1 - How life history influences the responses of the clam Scrobicularia plana to the combined impacts of carbamazepine and pH decrease N2 - In the present study, the bivalve Scrobicularia plana, collected from two contrasting areas (pristine location and mercury contaminated area), was selected to assess the biochemical alterations imposed by pH decrease, carbamazepine (an antiepileptic) and the combined effect of both stressors. The effects on oxidative stress related biomarkers after 96 h exposure revealed that pH decrease and carbamazepine induced alterations on clams, with greater impacts on individuals from the contaminated area which presented higher mortality, higher lipid peroxidation and higher glutathione S-transferase activity. These results emphasize the risk of extrapolating results from one area to another, since the same species inhabiting different areas may be affected differently when exposed to the same stressors. Furthermore, the results obtained showed that, when combined, the impact of pH decrease and carbamazepine was lower than each stressor acting alone, which could be related to the defence mechanism of valves closure when bivalves are under higher stressful conditions. KW - Ocean acidification KW - Biomarkers KW - Oxidative stress KW - Bivalves KW - Pharmaceutical drugs PY - 2015 DO - https://doi.org/10.1016/j.envpol.2015.03.023 SN - 0269-7491 SN - 0013-9327 SN - 1873-6424 VL - 202 SP - 205 EP - 214 PB - Elsevier CY - New York, NY [u.a.] AN - OPUS4-33818 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lima, D.L.D. A1 - Silva, C.P. A1 - Schneider, Rudolf A1 - Otero, M. A1 - Esteves, V.I. T1 - Application of dispersive liquid-liquid microextraction for estrogens' quantification by enzyme-linked immunosorbent assay N2 - Estrogens, such as 17β-estradiol (E2) and 17α-ethinylestradiol (EE2), are the major responsible for endocrine-disrupting effects observed in aquatic environments due to their high estrogenic potency, even at concentrations ranging from pg L-1 to ng L-1. Thus, it is essential to develop analytical methodologies suitable for monitoring their presence in water samples. Dispersive liquid–liquid microextraction (DLLME) was used as a pre-concentration step prior to the quantification of E2 and EE2 by enzyme-linked immunosorbent assay (ELISA). First, an evaluation of the effect of DDLME on the E2 and EE2 ELISA calibration curves was performed. Since the extraction procedure itself had an influence on the ELISA optical density (OD), it became necessary to subject, not only the samples, but also all the standards to the DLLME process. Working ranges were determined, being between 1.2 and 8000 ng L-1, for E2, and between 0.22 and 1500 ng L-1, for EE2. The influence of organic matter, both in the extraction and quantification, was evaluated and it was observed that its presence in the solution did not affect considerably the calibration curve. Recovery rates were also determined, ranging from 77% to 106% for ultrapure water and from 104% to 115% for waste water samples, the most complex ones in what concerns matrix effects. Results obtained when applying the proposed method to real water samples can be considered quite satisfying. Moreover, the obtained working ranges encompass values generally reported in literature, confirming the practical use of the method for environmental samples. KW - DLLME KW - ELISA KW - Water samples KW - Environment KW - 17beta-estradiol KW - 17alpha-ethinylestradiol PY - 2014 DO - https://doi.org/10.1016/j.talanta.2014.02.069 SN - 0039-9140 VL - 125 SP - 102 EP - 106 PB - Elsevier CY - Amsterdam AN - OPUS4-30614 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Rudolf A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V.I. A1 - Soares, A.M.V.M. A1 - Figueira, E. A1 - Freitas, R. T1 - Toxicity associated to uptake and depuration of carbamazepine in the clam Scrobicularia plana under a chronic exposure N2 - Carbamazepine (CBZ) is an antiepileptic drug commonly detected in aquatic systems, with toxic effects to inhabiting organisms. Limited information is known on stress response biomarkers associated to bioconcentration and depuration of CBZ in aquatic organisms. Moreover, few studies addressed if the response and recovery of organisms to a contaminant can change when they are collected in a contaminated site. This study intended to understand the bioconcentration and depuration of CBZ combined with its toxicological impact in Scrobicularia plana clams collected from two contrasting areas (MIRA, Mira channel, non-contaminated and LAR, Laranjo bay, arithropogenically impacted) from the Ria de Aveiro (Portugal). The clams were exposed for 14 days to environmentally relevant CBZ concentrations (0.0, 4.0 and 8.0 mu g/L), followed by a 14 day depuration period. CBZ concentrations in S. plana tissues were rapidly bioconcentrated during the exposure period. In the depuration period CBZ was eliminated, in some extent. The main toxic effects occurred at the highest concentration (8.0 mu g/L) after 14 days of exposure in which the clams from LAR accumulated ahigher CBZ concentration (LAR: similar to 10 ng/g FW) than clams from MIRA (MIRA: similar to 7 ng/g FW). LAR clams exhibited higher oxidative damage at this concentration, demonstrated by higher LPO levels over time (increase of similar to 1.4% relative to control) and, in comparison with MIRA clams (LAR: 17.7 nmol/g FW; MIRA: 11.4 nmol/g FW). After the depuration period, LAR clams recovered from the stress induced by CBZ. A decrease in LPO for LAR (decrease of similar to 40% in relation to the end of the exposure period) was accompanied by a decrease in CBZ tissue concentrations (decrease of similar to 61% relative to the end of the exposure period). MIRA clams were not oxidatively injured (low LPO levels remained unchanged after the depuration and CBZ decreased similar to 80% relative to the end of the exposure period). KW - Invertebrates KW - Pharmaceutical drugs KW - Biomarkers KW - Oxidative stress PY - 2017 DO - https://doi.org/10.1016/j.scitotenv.2016.12.069 SN - 0048-9697 VL - 580 SP - 1129 EP - 1145 AN - OPUS4-43297 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Almeida, Â. A1 - Calisto, V. A1 - Esteves, V.I. A1 - Schneider, Rudolf A1 - Soares, A.M.V.M. A1 - Figueira, E. A1 - Freitas, R. T1 - Effects of single and combined exposure of pharmaceutical drugs (carbamazepine and cetirizine) and a metal (cadmium) on the biochemical responses of R. philippinarum N2 - In the aquatic environment, organisms are exposed to complex mixtures of contaminants which may alter the toxicity profile of each compound, compared to its toxicity alone. Pharmaceutical drugs (e.g. carbamazepine (CBZ) and cetirizine (CTZ)) and metals (e.g. cadmium (Cd)) are among those contaminants that co-occur in the environment. However, most studies concerning their toxicity towards aquatic species are based on single exposure experiments. Thus, the present study aimed to evaluate single and combined effects of Cd and CBZ or CTZ (single conditions: Cd, CTZ, CBZ; combined conditions: CTZ+Cd, CBZ+Cd) on biomarkers related to oxidative stress and energy metabolism in the edible clam Ruditapes philippinarum, by exposing the organisms for 28 days to environmentally relevant concentrations of these contaminants. The biomarkers studied were: i) the electron transport system activity, protein and glycogen contents (indicators of organisms’ metabolic status and energy reserves); ii) lipid peroxidation and the ratio between reduced and oxidized glutathione (indicators of oxidative stress); iii) superoxide dismutase and catalase activities (enzymes indicators of antioxidant defence) and iv) activity of glutathione S-transferases (family of enzymes indicators of biotransformation capacity). Results obtained showed that the uptake of Cd and CBZ was not affected by the combined presence of the contaminants. However, for CTZ, the uptake was higher in the presence than in the absence of Cd. Concerning toxicity data, in general, the combined exposures (CTZ+Cd, CBZ+Cd) had lower biological effects than the contaminants alone. Nevertheless, our data showed that despite the low concentrations tested, they were enough to exert biological effects that differed between single and combined treatments, evidencing the need to conduct more co-exposure studies to increase the environmental relevance of the gathered data. KW - Biomarker KW - Arzneimittel KW - Metalle KW - Invertebraten KW - ELISA KW - Carbamazepine KW - Cetirizine PY - 2018 DO - https://doi.org/10.1016/j.aquatox.2018.02.011 SN - 0166-445X SN - 1879-1514 VL - 198 SP - 10 EP - 19 PB - Elsevier CY - Amsterdam, NL AN - OPUS4-44902 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Almeida, Ângela A1 - Calisto, V. A1 - Esteves, V.I. A1 - Schneider, Rudolf A1 - Soares, A.M.V.M. A1 - Figueira, E. A1 - Freitas, R. T1 - Presence of the pharmaceutical drug carbamazepine in coastal systems: Effects on bivalves N2 - Carbamazepine (CBZ), an antiepileptic drug, is one of the most commonly detected pharmaceutical drugs in aquatic ecosystems, and is used as a marker of urban pollution. Since CBZ is designed to exert a biological effect, when it reaches aquatic environment high probability exist for toxic effects on non-target organisms. The present study evaluated the acute toxicity of environmentally relevant concentrations of CBZ (0.00, 0.03, 0.30, 3.00, 9.00 µg/L) in the edible clams Venerupis decussata (a native species) and Venerupis philippinarum (an invasive species) collected from the Ria de Aveiro. The effects on both species were assessed through the use of a battery of biomarkers mainly related with health status and oxidative stress. Furthermore, in this work an alternative and promising tool, the direct competitive immunoassay ELISA, for the direct CBZ quantification in clam's tissues, was applied. The results of the present work showed that CBZ in clam's tissues increased with the exposure concentration and V. decussata gave slightly higher values than V. philippinarum. Although the clams accumulated lower levels of CBZ than the concentration of exposure, these concentrations were enough to impair the health status and induce oxidative stress. However, a different response to CBZ was observed in the two species. While in V. philippinarum the lipid peroxidation levels increased at the highest CBZ concentration (9.00 µg/L), in V. decussata a significant decrease was seen. Moreover, glutathionse S-transferase activity was stimulated in V. decussata and decreased in V. philippinarum. Nevertheless, an induction of glutathione reductase, superoxide dismutase and cytochrome P450 3A4 activities was found in both species as a result of the exposure. The results indicate that, probably, V. philippinarum have a less efficient antioxidant system than V. decussata, and are therefore less capable to neutralize oxidative stress and consequently more sensitive to CBZ. The risk quotient determined for the Ria de Aveiro was higher than 1 indicating that a ecotoxicological risk is suspected. Furthermore, bioaccumulation of CBZ in clams should be taken into consideration since this chemical might be transferred along the food chain and affect non-target organisms. KW - Acute toxicity KW - Biomarkers KW - ELISA immunoassay KW - Pharmaceuticals KW - Clams KW - Carbamazepin KW - Toxikologie KW - Toxicology PY - 2014 DO - https://doi.org/10.1016/j.aquatox.2014.08.002 SN - 0166-445x SN - 1879-1514 VL - 156 SP - 74 EP - 87 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-31336 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Österle, Werner A1 - Deutsch, Cornelius A1 - Gradt, Thomas A1 - Orts Gil, Guillermo A1 - Schneider, Thomas A1 - Dmitriev, A.I. T1 - Tribological screening tests for the selection of raw materials for automotive brake pad formulations N2 - A modified pin-on-disc test was applied to determine tribological properties of typical brake pad constituents. Ball-milling of these ingredients together with iron oxide and graphite provided model materials displaying the main features of real third bodies. Solid lubricants like graphite affected the friction and wear behaviour of Fe3O4 powders considerably whereas further addition of hard nanoparticles induced only minor effects. This was corroborated by comparison with modelling results. MoS2 played a dual role. Depending on special conditions, this ingredient either reduced or increased friction. The latter could be explained, after nanoscopic characterization, by oxidation and destruction of the wear-protecting tribofilm. KW - Brake pad formulation KW - Raw materials KW - Third body KW - Pin-on-disc test PY - 2014 DO - https://doi.org/10.1016/j.triboint.2014.01.017 SN - 0301-679X VL - 73 SP - 148 EP - 155 PB - Butterworth-Heinemann CY - Oxford AN - OPUS4-30221 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lima, D.L.D. A1 - Schneider, Rudolf A1 - Scherer, H.W. A1 - Duarte, A.C. A1 - Santos, E.B.H. A1 - Esteves, V.I. T1 - Sorption-desorption behavior of atrazine on soils subjected to different organic long-term amendments N2 - Sorption of atrazine on soils subjected to three different organic amendments was measured using a batch equilibrium technique. A higher KF value (2.20 kg-1(mg L-1)-N) was obtained for soil fertilized with compost, which had a higher organic matter (OM) content. A correlation between the KFOC values and the percentage of aromatic carbon in OM was observed. The highest KFOC value was obtained for the soil with the highest aromatic content. Higher aromatic content results in higher hydrophobicity of OM, and hydrophobic interactions play a key role in binding of atrazine. On the other hand, the soil amended with farmyard manure had a higher content of carboxylic units, which could be responsible for hydrogen bonding between atrazine and OM. Dominance of hydrogen bonds compared to hydrophobic interactions can be responsible for the lower desorption capacity observed with the farmyard manure soil. The stronger hydrogen bonding can reduce the leaching of atrazine into drinking water resources and runoff to rivers and other surface waters. KW - Capillary electrophoresis KW - Atrazine KW - Sorption KW - Soil KW - Compost KW - Sewage sludge KW - Farmyard manure PY - 2010 DO - https://doi.org/10.1021/jf903937d SN - 0021-8561 SN - 1520-5118 VL - 58 IS - 5 SP - 3101 EP - 3106 PB - American Chemical Society CY - Columbus, Ohio AN - OPUS4-21108 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Filipe, O.M.S. A1 - Vidal, M.M. A1 - Scherer, H.W. A1 - Schneider, Rudolf A1 - Duarte, A. A1 - Esteves, V.I. A1 - Santos, E.B.H. T1 - Effect of long term organic amendments on adsorption-desorption of thiram onto a luvisol soil derived from loess KW - Thiram KW - Adsorption-desorption KW - Soil KW - Organic amendments PY - 2010 DO - https://doi.org/10.1016/j.chemosphere.2010.04.003 SN - 0045-6535 SN - 0366-7111 VL - 80 IS - 3 SP - 293 EP - 300 PB - Elsevier Science CY - Kidlington, Oxford AN - OPUS4-23196 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lima, D.L.D. A1 - Silva, C.P. A1 - Schneider, Rudolf A1 - Esteves, V.I. T1 - Development of an ELISA procedure to study sorption of atrazine onto a sewage sludge-amended luvisol soil N2 - Pesticides may contaminate ground and surface waters and one of the major factors governing this property is soil sorption. Sorption can be assessed by batch equilibrium technique which produces lots of extracts with high dissolved organic carbon concentration in which the pesticide concentration has to be determined. We developed an ELISA procedure to analyse atrazine based on polyclonal antibodies (C193) for which tracer structure and dilutions of immunochemical reagents were adapted to fit the purpose. After a 1000-fold dilution (or after an SPE clean-up procedure) extracts of a sewage-sludge amended luvisol (used as an example application of the methodology developed) could be reliably analysed. The Freundlich model is able to describe adsorption for this system (r² = 0.977) delivering a distribution coefficient KF of 1.6 ± 0.2 (mg kg-1) (mg L-1)-N and an isotherm nonlinearity factor N of 0.70 ± 0.09. KW - ELISA KW - Atrazine KW - Sorption PY - 2011 DO - https://doi.org/10.1016/j.talanta.2011.06.024 SN - 0039-9140 VL - 85 IS - 3 SP - 1494 EP - 1499 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-24305 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Calisto, V. A1 - Bahlmann, Arnold A1 - Schneider, Rudolf A1 - Esteves, V.I. T1 - Application of an ELISA to the quantification of carbamazepine in ground, surface and wastewaters and validation with LC-MS/MS N2 - Carbamazepine is a psychiatric pharmaceutical widely detected in aquatic environments. Due to its generalized occurrence and environmental persistence it might be considered as an anthropogenic pollution indicator. In this research, a previously developed enzyme-linked immunosorbent assay (ELISA), based on a commercial monoclonal antibody, was applied to the quantification of carbamazepine in ground, surface and wastewaters and results were validated by liquid chromatography–tandem mass spectrometry (LC–MS/MS). The performance of the applied ELISA methodology was tested in the presence of high concentrations of sodium chloride and dissolved organic matter. The method was not significantly affected by matrix effects, being adequate for the quantification of carbamazepine in environmental samples, even without sample pre-treatment. This method allows the quantification of carbamazepine in the range of 0.03–10 µg L-1, with a relative error lower than 30%. Due to a pH dependent cross-reactivity with cetirizine, an antihistaminic drug, the assay also enabled the quantification of cetirizine in the samples. The application of the developed method to the quantification of carbamazepine was performed by using environmental samples with very different matrices, collected in the geographical area of Ria de Aveiro, an estuarine system located in the North of Portugal. Carbamazepine was detected in all analyzed wastewater samples and in one surface water with concentrations between 0.1 and 0.7 µg L-1. Validation with LC–MS/MS revealed that results obtained by ELISA are 2–28% overestimated, which was considered highly satisfactory due to the absence of sample pre-treatments. KW - Immunoassay KW - Pharmaceuticals KW - Environment KW - Wastewater treatment plants KW - Matrix effects KW - Cetirizine PY - 2011 DO - https://doi.org/10.1016/j.chemosphere.2011.04.072 SN - 0045-6535 SN - 0366-7111 VL - 84 IS - 11 SP - 1708 EP - 1715 PB - Elsevier Science CY - Kidlington, Oxford AN - OPUS4-24306 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Österle, Werner A1 - Dmitriev, A.I. A1 - Orts Gil, Guillermo A1 - Schneider, Thomas A1 - Ren, H. A1 - Sun, X. T1 - Verification of nanometre-scale modelling of tribofilm sliding behaviour N2 - A model based on movable cellular automata has been applied to study the sliding behaviour of tribofilms formed during automotive braking. Since it is not possible yet to determine the composition of real tribofilms quantitatively, final verification of modelling results is needed. This was done by preparing artificial third bodies with compositions and nanostructures matching the ones assumed for modelling. Pin-on-disc tests were performed while applying the artificial third bodies to the contact. The results revealed that not only the structure of the third body but also the amount of the applied normal pressure determines the COF obtained by modelling and that much better correlation between experimental and modelling results was obtained while assuming high normal pressures at asperity contacts. KW - Automotive braking KW - Third body KW - Modelling KW - Sliding simulation PY - 2013 DO - https://doi.org/10.1016/j.triboint.2013.02.018 SN - 0301-679X VL - 62 SP - 155 EP - 162 PB - Butterworth-Heinemann CY - Oxford AN - OPUS4-27946 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Silva, C.P. A1 - Lima, D.L.D. A1 - Schneider, Rudolf A1 - Otero, M. A1 - Esteves, V.I. T1 - Development of ELISA methodologies for the direct determination of 17beta-estradiol and 17alpha-ethinylestraydiol in complex aqueous matrices N2 - This study comprises the development of enzyme-linked immunosorbent assays (ELISAs) for the quantification of 17β-estradiol (E2) and 17α-ethinylestradiol (EE2) in complex aqueous matrices without any sample clean-up procedures. Salinity and dissolved organic matter were selected as potential interfering agents in the analysis of E2 and EE2. The optimization was performed in order to (i) overcome matrix effects, and to (ii) increase sensitivity. The addition of a sample buffer containing bovine serum albumin (BSA) prior to the sample was found to decrease the influence of matrix effects. Moreover, adjustments of this buffer's pH together with the optimization of tracer (T) dilution and incubation time were undertaken in order to lower the quantification range. The optimized methods allowed the quantification of E2 and EE2 in the ranges 0.03–200 µg L-1 and 0.02–10 µg L-1, respectively. The assays were applied to real aqueous samples. It was possible to do a first approach to the levels of E2 in Portuguese surface and waste waters; however, it was not feasible to detect EE2 in the samples tested. KW - Enzyme-linked immunosorbent assay KW - Endocrine disrupting compounds KW - 17beta-Estradiol KW - 17alpha-Ethinylestradiol KW - Surface water KW - Wastewater PY - 2013 DO - https://doi.org/10.1016/j.jenvman.2013.03.041 SN - 0301-4797 SN - 1095-8630 VL - 124 SP - 121 EP - 127 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-28516 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lima, D.L.D. A1 - Schneider, Rudolf A1 - Esteves, V.I. T1 - Development of an enzyme-linked immunosorbent assay for atrazine monitoring in water samples N2 - The implementation of the Water Framework Directive (2000/60/EC) requires the establishment of monitoring programs. However, conventional procedures for sample preparation prior to chromatographic analysis are rather expensive and time consuming, being the development of cost-effective and easy tool a necessity. The aim of this work was to develop an enzyme-linked immunosorbent assay (ELISA) able to determine atrazine in water samples. Matrix effects evaluation showed that the increase of humic acid (HA) concentration leads to flattened calibration curves and to the loss of the sigmoidal shape. However, such interference was overcome, by the presence of an environmental sample buffer, incubated together with the samples. Recoveries from 88.5 to 119.2 % were obtained in the presence of HA concentrations up to 20 mg-1. An analytical range from 0.003 to 1 µgL-1 was obtained, and atrazine was detected in a sewage treatment plant with concentrations ranging from 14 to 52 ngL-1. KW - Immunoassay KW - Atrazine KW - Surface waters KW - Wastewater treatment plants KW - Matrix effects PY - 2013 DO - https://doi.org/10.1007/s11356-012-1227-z SN - 0944-1344 SN - 1614-7499 VL - 20 IS - 5 SP - 3157 EP - 3164 PB - Ecomed Publ. CY - Landsberg AN - OPUS4-28299 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lima, D.L.D. A1 - Schneider, Rudolf A1 - Esteves, V.I. T1 - Sorption behavior of EE2 on soils subjected to different long-term organic amendments N2 - The transport and fate of hydrophobic organic contaminants in the environment involve complex phenomena that are influenced by many processes that include sorption by soil components. Sorption behavior of EE2 molecules onto different soil samples was studied and results correlated with the content and type of organic matter present. The highest Κ value, among all soils presented in this study, was obtained for soil fertilized with compost (1.22) which presented the highest organic carbon content. Also the sorption behavior depends greatly on the soil specific organic matter characteristics. A strong positive correlation was observed between aromatic and carboxylic units and ΚOC values. The results also suggested an association of the EE2 aromatic nuclei face to face with the surface and/or another EE2 molecule and also sorbent–sorbate interactions due to hydrogen or covalent bonding, likely to occur due to the presence of phenolic function at C-3 and hydroxyl function at C-17 of the EE2 molecules that can react with carboxylic functional groups of soil organic matter. The stronger EE2 sorbs to soil organic matter lower is the leaching into drinking water resources and runoff to rivers and surface water, minimizing its residual toxicity. KW - EE2 KW - Sorption KW - Soil KW - Deconvolution KW - Fluorescence PY - 2012 DO - https://doi.org/10.1016/j.scitotenv.2012.02.014 SN - 0048-9697 VL - 423 SP - 120 EP - 124 PB - Elsevier CY - Amsterdam AN - OPUS4-25739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -