316 research outputs found

    L-Mn dielectronic recombination of cerium ions in a room-temperature EBIT

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    Funding Information: P A and F G acknowledge the FCT through Project Number UID/04559/2020 (LIBPhys), and contract No. UI/BD/151000/2021. This research has been carried out under the High Performance Computing Chair—a R&D infrastructure (based at the University of Évora; PI: M Avillez), endorsed by Hewlett Packard Enterprise (HPE), and involving a consortium of higher education institutions (University of Algarve, University of Évora, New University of Lisbon, and University of Porto), research centres (CIAC, CIDEHUS, CHRC), enterprises (HPE, ANIET, ASSIMAGRA, Cluster Portugal Mineral Resources, DECSIS, FastCompChem, GeoSense, GEOtek, Health Tech, Starkdata), and public/private organizations (Alentejo Tourism-ERT, KIPT Colab). W B -N acknowledges the GET_INvolved Programme at FAIR/GSI (www.fair-center.eu/get_involved) and the JIPhD program through contract POWR.03.05.00-00-Z309/17-00. Publisher Copyright: © 2024 The Author(s). Published by IOP Publishing Ltd.We explore the dielectronic recombination structures at the electron beam ion trap at Jagiellonian University in Cracow, emited by cerium that is produced by the high-current cathode made of iridium and cerium. Small amounts of these elements evaporate from the cathode and form low-intensity admixtures within the electron-ion plasma in the EBIT. Their presence and specific ionic population can be observed by examining the spectral characteristics resulting from the DR process. Results have been compared with flexible atomic code calculations, working in unresolved transition array mode, providing identification of the charge states. Here we show that this mode provides quick calculations of very complex data with enough reliability for experimental comparison. These observations highlight which DR features and corresponding charge states that should be present in spectra obtained in EBITs with similar cathode specifications.publishersversionpublishe

    Putative Cooperative ATP-DnaA Binding to Double-Stranded DnaA Box and Single-Stranded DnaA-Trio Motif upon Helicobacter pylori Replication Initiation Complex Assembly

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    oriC is a region of the bacterial chromosome at which the initiator protein DnaA interacts with specific sequences, leading to DNA unwinding and the initiation of chromosome replication. The general architecture of oriCs is universal; however, the structure of oriC and the mode of orisome assembly differ in distantly related bacteria. In this work, we characterized oriC of Helicobacter pylori, which consists of two DnaA box clusters and a DNA unwinding element (DUE); the latter can be subdivided into a GC-rich region, a DnaA-trio and an AT-rich region. We show that the DnaA-trio submodule is crucial for DNA unwinding, possibly because it enables proper DnaA oligomerization on ssDNA. However, we also observed the reverse effect: DNA unwinding, enabling subsequent DnaA–ssDNA oligomer formation—stabilized DnaA binding to box ts1. This suggests the interplay between DnaA binding to ssDNA and dsDNA upon DNA unwinding. Further investigation of the ts1 DnaA box revealed that this box, together with the newly identified c-ATP DnaA box in oriC1, constitute a new class of ATP–DnaA boxes. Indeed, in vitro ATP–DnaA unwinds H. pylori oriC more efficiently than ADP–DnaA. Our results expand the understanding of H. pylori orisome formation, indicating another regulatory pathway of H. pylori orisome assembly

    Photoreduction of CO2 with a Formate Dehydrogenase Driven by Photosystem II Using a Semi-artificial Z-Scheme Architecture.

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    Solar-driven coupling of water oxidation with CO2 reduction sustains life on our planet and is of high priority in contemporary energy research. Here, we report a photoelectrochemical tandem device that performs photocatalytic reduction of CO2 to formate. We employ a semi-artificial design, which wires a W-dependent formate dehydrogenase (FDH) cathode to a photoanode containing the photosynthetic water oxidation enzyme, Photosystem II, via a synthetic dye with complementary light absorption. From a biological perspective, the system achieves a metabolically inaccessible pathway of light-driven CO2 fixation to formate. From a synthetic point of view, it represents a proof-of-principle system utilizing precious-metal-free catalysts for selective CO2-to-formate conversion using water as an electron donor. This hybrid platform demonstrates the translatability and versatility of coupling abiotic and biotic components to create challenging models for solar fuel and chemical synthesis.ERC Consolidator Grant, EPSRC, Christian Doppler Research Association (Austrian Federal Ministry for Digital and Economic Affairs and the National Foundation for Research, Technology and Development), the OMV group, Deutsche Forschungsgemeinschaft, European Union's Horizon 2020 MSCA, Fundação para a Ciência e Tecnologia (Portugal), COMPETE2020/POCI and European Union’s Horizon 202

    Pliocene to Pleistocene climate and environmental history of Lake El\u27gygytgyn, Far East Russian Arctic, based on high-resolution inorganic geochemistry data

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    The 3.6 Ma sediment record of Lake El\u27gygytgyn/NE Russia, Far East Russian Arctic, represents the longest continuous climate archive of the terrestrial Arctic. Its elemental composition as determined by X-ray fluorescence scanning exhibits significant changes since the mid-Pliocene caused by climate-driven variations in primary production, postdepositional diagenetic processes, and lake circulation as well as weathering processes in its catchment. During the mid- to late Pliocene, warmer and wetter climatic conditions are reflected by elevated Si / Ti ratios, indicating enhanced diatom production in the lake. Prior to 3.3 Ma, this signal is overprinted by intensified detrital input from the catchment, visible in maxima of clastic-related proxies, such as K. In addition, calcite formation in the early lake history points to enhanced Ca flux into the lake caused by intensified weathering in the catchment. A lack of calcite deposition after ca. 3.3 Ma is linked to the development of permafrost in the region triggered by cooling in the mid-Pliocene. After ca. 3.0 Ma the elemental data suggest a gradual transition to Pleistocene-style glacial-interglacial cyclicity. In the early Pleistocene, the cyclicity was first dominated by variations on the 41 kyr obliquity band but experienced a change to a 100 kyr eccentricity dominance during the middle Pleistocene transition (MPT) at ca. 1.2-0.6 Ma. This clearly demonstrates the sensitivity of the Lake El\u27gygytgyn record to orbital forcing. A successive decrease of the baseline levels of the redox-sensitive Mn / Fe ratio and magnetic susceptibility between 2.3 and 1.8 Ma reflects an overall change in the bottom-water oxygenation due to an intensified occurrence of pervasive glacial episodes in the early Pleistocene. The coincidence with major changes in the North Pacific and Bering Sea paleoceanography at ca. 1.8 Ma implies that the change in lake hydrology was caused by a regional cooling in the North Pacific and the western Beringian landmass and/or changes in the continentality. Further increases in total organic carbon and total nitrogen content after ca. 1.6 Ma are attributed to reduced organic matter decay in the sediment during prolonged anoxic periods. This points to more extensive periods of perennial ice coverage, and thus, to a progressive shifts towards more intense peak glacial periods. In the course of the Pleistocene glacial-interglacial sequence eight so-called super-interglacials occur. Their exceptionally warm conditions are reflected by extreme Si / Ti peaks accompanied by lows in Ti, K, and Fe, thus indicating extraordinary high lake productivity

    Engineering of NADPH Supply Boosts Photosynthesis-Driven Biotransformations

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    was reached, allowing the complete conversion of a 60 mM substrate solution within 4 h

    Endocrine control of canine mammary neoplasms: serum reproductive hormone levels and tissue expression of steroid hormone, prolactin and growth hormone receptors

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    BACKGROUND: Neoplasms of the mammary gland are among the most common diseases in female domestic dogs (Canis familiaris). It is assumed that reproductive hormones influence tumorigenesis in this species, although the precise role of the endocrine milieu and reproductive state is subject to continuing discussion. In line with this, a recent systematic review of available data on the development of mammary neoplasms revealed weak evidence for risk reduction after neutering and an effect of age at neutering. Investigation of several hormone receptors has revealed decreased expression of estrogen receptor-alpha (ERα, ESR1), progesterone (P4) receptor (PGR), prolactin (PRL) receptor (PRLR) and growth hormone receptor (GHR) associated with neoplastic differentiation of mammary tissues. In other studies, increased levels of estrogens, progesterone and prolactin were found in serum and/or tissue homogenates of dogs with malignant neoplasms. However, the association between these entities within one animal population was never previously examined. Therefore, this study investigated the association between circulating serum concentrations of estradiol-17β, progesterone and prolactin, and gene expression of ERα (ESR1), ERβ (ESR2), PGR, PRLR, PRL and GHR, with respect to reproductive state (spayed vs. intact) and cycle stage (anestrus vs. diestrus). Additionally, the expression of E-cadherin (CDH-1) was evaluated as a possible indicator of metastatic potential. RESULTS: For all receptors, the lowest gene expression was found in malignant tumors compared to normal tissues of affected dogs. Steroid levels were not influenced by their corresponding receptor expression in mammary neoplasms, but increased PRL levels were negatively associated with low PRLR gene expression in malignant tumors. The expression of CDH-1 was influenced by tumor malignancy and cycle stage, i.e., the highest gene expression was found in benign mammary tumors in diestrous dogs compared to normal and malignant mammary tissues of anestrous and spayed dogs. CONCLUSIONS: Herein, it has been confirmed that transformation towards malignant neoplasms is associated with significant reduction of gene expression of particular hormone receptors. Only PRLR in malignant tumors seems to be influenced by circulating PRL levels. In dogs, CDH-1 can be used as a prognostic factor; its expression, however, in benign tumors is influenced by cycle stage

    Explainable Predictive Maintenance

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    Explainable Artificial Intelligence (XAI) fills the role of a critical interface fostering interactions between sophisticated intelligent systems and diverse individuals, including data scientists, domain experts, end-users, and more. It aids in deciphering the intricate internal mechanisms of ``black box'' Machine Learning (ML), rendering the reasons behind their decisions more understandable. However, current research in XAI primarily focuses on two aspects; ways to facilitate user trust, or to debug and refine the ML model. The majority of it falls short of recognising the diverse types of explanations needed in broader contexts, as different users and varied application areas necessitate solutions tailored to their specific needs. One such domain is Predictive Maintenance (PdM), an exploding area of research under the Industry 4.0 \& 5.0 umbrella. This position paper highlights the gap between existing XAI methodologies and the specific requirements for explanations within industrial applications, particularly the Predictive Maintenance field. Despite explainability's crucial role, this subject remains a relatively under-explored area, making this paper a pioneering attempt to bring relevant challenges to the research community's attention. We provide an overview of predictive maintenance tasks and accentuate the need and varying purposes for corresponding explanations. We then list and describe XAI techniques commonly employed in the literature, discussing their suitability for PdM tasks. Finally, to make the ideas and claims more concrete, we demonstrate XAI applied in four specific industrial use cases: commercial vehicles, metro trains, steel plants, and wind farms, spotlighting areas requiring further research.Comment: 51 pages, 9 figure

    Selected Uterine Immune Events Associated With the Establishment of Pregnancy in the Dog

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    In the dog, implantation takes place at approximately 17 days of embryonal life and, while exposed to relatively high circulating progesterone concentrations, embryos presence is required for the formation of decidua. Furthermore, a balance between pro- and anti-inflammatory responses in conceptus-maternal communication is crucial for the onset of pregnancy. Strikingly, the understanding of such immune mechanisms in canine reproduction is still elusive. Here, canine uterine samples from pre-implantation (day 10–12, E+) and corresponding non-pregnant controls (E–), implantation (day 17,Imp) and post-implantation (day 18–25, Post-Imp) stages of pregnancy were used to investigate the expression and localization of several immune-related factors. The most important findings indicate increased availability of CD4, MHCII, NCR1, IDO1, AIF1, CD25, CCR7, and IL6 in response to embryo presence (E+), while FoxP3 and CCL3 were more abundant in E– samples. Implantation was characterized by upregulated levels of FoxP3, IL12a, ENG, and CDH1, whereas CD4, CCR7, IL8, and -10 were less represented. Following implantation, decreased transcript levels of TNFR1, MHCII, NCR1, TLR4, CD206, FoxP3, and IL12a were observed concomitantly with the highest expression of IL6 and IL1β. MHCII, CD86, CD206, CD163, TNFa, IDO1, and AIF1 were immunolocalized in macrophages, CD4 and Nkp46 in lymphocytes, and some signals of IDO1, AIF1, and TNF-receptors could also be identified in endothelial cells and/or uterine glands. Cumulatively, new insights regarding uterine immunity in the peri-implantation period are provided, with apparent moderated pro-inflammatory signals prevailing during pre-implantation, while implantation and early trophoblast invasion appear to beassociated with immunomodulatory and rather anti-inflammatory conditions

    QSAR studies on a number of pyrrolidin-2-one antiarrhythmic arylpiperazinyls

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    The activity of a number of 1-[3-(4-arylpiperazin-1-yl)propyl]pyrrolidin-2-one antiarrhythmic (AA) agents was described using the quantitative structure–activity relationship model by applying it to 33 compounds. The molecular descriptors of the AA activity were obtained by quantum chemical calculations combined with molecular modeling calculations. The resulting model explains up to 91% of the variance and it was successfully validated by four tests (LOO, LMO, external test, and Y-scrambling test). Statistical analysis shows that the AA activity of the studied compounds depends mainly on the PCR and JGI4 descriptors
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