Structure and bonding of halonium compounds

The geometrical parameters and the bonding in [D···X···D]+ halonium compounds, where D is a Lewis base with N as the donor atom and X is Cl, Br, or I, have been investigated through a combined structural and computational study. Cambridge Structural Database (CSD) searches have revealed linear and symmetrical [D···X···D]+ frameworks with neutral donors. By means of density functional theory (DFT), molecular electrostatic potential (MEP), and energy decomposition analyses (EDA) calculations, we have studied the effect of various halogen atoms (X) on the [D···X···D]+ framework, the effect of different nitrogen-donor groups (D) attached to an iodonium cation (X = I), and the influence of the electron density alteration on the [D···I···D]+ halonium bond by variation of the R substituents at the N-donor upon the symmetry, strength, and nature of the interaction. The physical origin of the interaction arises from a subtle interplay between electrostatic and orbital contributions (σ-hole bond). Interaction energies as high as 45 kcal/mol suggest that halonium bonds can be exploited for the development of novel halonium transfer agents, in asymmetric halofunctionalization or as building blocks in supramolecular chemistry

Contrasting patterns of selection between MHC I and II across populations of Humboldt and Magellanic penguins

Indexación: Web of ScienceThe evolutionary and adaptive potential of populations or species facing an emerging infectious disease depends on their genetic diversity in genes, such as the major histocompatibility complex (MHC). In birds, MHC class I deals predominantly with intracellular infections (e.g., viruses) and MHC class II with extracellular infections (e.g., bacteria). Therefore, patterns of MHC I and II diversity may differ between species and across populations of species depending on the relative effect of local and global environmental selective pressures, genetic drift, and gene flow. We hypothesize that high gene flow among populations of Humboldt and Magellanic penguins limits local adaptation in MHC I and MHC II, and signatures of selection differ between markers, locations, and species. We evaluated the MHC I and II diversity using 454 next-generation sequencing of 100 Humboldt and 75 Magellanic penguins from seven different breeding colonies. Higher genetic diversity was observed in MHC I than MHC II for both species, explained by more than one MHC I loci identified. Large population sizes, high gene flow, and/or similar selection pressures maintain diversity but limit local adaptation in MHC I. A pattern of isolation by distance was observed for MHC II for Humboldt penguin suggesting local adaptation, mainly on the northernmost studied locality. Furthermore, trans species alleles were found due to a recent speciation for the genus or convergent evolution. High MHC I and MHC II gene diversity described is extremely advantageous for the long term survival of the species.http://onlinelibrary.wiley.com/doi/10.1002/ece3.2502/epd

Besnoitia besnoiti infection alters both endogenous cholesterol de novo synthesis and exogenous LDL uptake in host endothelial cells

Besnoitia besnoiti, an apicomplexan parasite of cattle being considered as emergent in Europe, replicates fast in host endothelial cells during acute infection and is in considerable need for energy, lipids and other building blocks for offspring formation. Apicomplexa are generally considered as defective in cholesterol synthesis and have to scavenge cholesterol from their host cells for successful replication. Therefore, we here analysed the influence of B. besnoiti on host cellular endogenous cholesterol synthesis and on sterol uptake from exogenous sources. GC-MS-based profiling of cholesterol-related sterols revealed enhanced cholesterol synthesis rates in B. besnoiti-infected cells. Accordingly, lovastatin and zaragozic acid treatments diminished tachyzoite production. Moreover, increased lipid droplet contents and enhanced cholesterol esterification was detected and inhibition of the latter significantly blocked parasite proliferation. Furthermore, artificial increase of host cellular lipid droplet disposability boosted parasite proliferation. Interestingly, lectin-like oxidized low density lipoprotein receptor 1 expression was upregulated in infected endothelial hostcells, whilst low density lipoproteins (LDL) receptor was not affected by parasite infection. However, exogenous supplementations with non-modified and acetylated LDL both boosted B. besnoiti proliferation. Overall, current data show that B. besnoiti simultaneously exploits both, endogenous cholesterol biosynthesis and cholesterol uptake from exogenous sources, during asexual replication

Linguistic politeness across Austria and Italy: Backing out of an invitation with an instant message

The study compares how native speakers of German from the area of Innsbruck (Austria) and native speakers of Italian from the area of Rome (Italy) perceive the communicative act of backing out of an invitation for dinner at the last minute, in a situation of low social distance. The purpose of the study is twofold: to shed light on the orientation of Austrian German and Italian languages/cultures in terms of linguistic politeness, and to expand empirical cross-cultural research to a less-commonly investigated speech act. Data collected by means of a discourse completion task (DCT) are triangulated with responses to an assessment question and metapragmatic comments, and analyzed following a quantitative approach. The analysis of the DCT findings shows some cross-group differences in the choice of speech act realization strategies and internal modifiers. However, the overall results reveal more similarities than differences between the two populations regarding the informants’ perception of face threat in last-minute cancellations. This seems to disprove the idea that the two groups belong to different cultural frameworks in terms of politeness orientation, at least as far as it concerns the specific speech act under investigation

Anatomical and molecular properties of long descending propriospinal neurons in mice

Long descending propriospinal neurons (LDPNs) are interneurons that form direct connections between cervical and lumbar spinal circuits. LDPNs are involved in interlimb coordination and are important mediators of functional recovery after spinal cord injury (SCI). Much of what we know about LDPNs comes from a range of species, however, the increased use of transgenic mouse lines to better define neuronal populations calls for a more complete characterisation of LDPNs in mice. In this study, we examined the cell body location, inhibitory neurotransmitter phenotype, developmental provenance, morphology and synaptic inputs of mouse LDPNs throughout the cervical and upper thoracic spinal cord. LDPNs were retrogradely labelled from the lumbar spinal cord to map cell body locations throughout the cervical and upper thoracic segments. Ipsilateral LDPNs were distributed throughout the dorsal, intermediate and ventral grey matter as well as the lateral spinal nucleus and lateral cervical nucleus. In contrast, contralateral LDPNs were more densely concentrated in the ventromedial grey matter. Retrograde labelling in GlyT2GFP and GAD67GFP mice showed the majority of inhibitory LDPNs project either ipsilaterally or adjacent to the midline. Additionally, we used several transgenic mouse lines to define the developmental provenance of LDPNs and found that V2b positive neurons form a subset of ipsilaterally projecting LDPNs. Finally, a population of Neurobiotin (NB) labelled LDPNs were assessed in detail to examine morphology and plot the spatial distribution of contacts from a variety of neurochemically distinct axon terminals. These results provide important baseline data in mice for future work on their role in locomotion and recovery from SCI

Occupational Health and Safety Prevention Plan in Water Treatment Plant

The research was carried out at the "El Guarumo" drinking water plant located in Santa Ana, province of Manabí, Ecuador. The objective of the investigation was the proposal of a plan of prevention of occupational risks that allows the management of the labor risks in said plant. The main tools used were: survey, interview, checklist, LEST questionnaire for the diagnosis of the current situation in terms of working conditions, the risk identification matrix and the binary method of risk assessment. The main results obtained were the identification of the risks in their different categories, observing that the critical risk factors are related to the physical overexertion, the uncomfortable postures and the manual lifting of the load. Among the important risks are falling objects, skin contact with toxic substances and mental overwork, closely related to work pressures and job security? It was possible to carry out the proposal of preventive and corrective measures in order to properly manage the risks and contribute to the safety and health of the workers

Review of hyperuricemia as new marker for metabolic syndrome

Hyperuricemia has long been established as the major etiologic factor in gout. In recent years, a large body of evidence has accumulated that suggests that hyperuricemia may play a role in the development and pathogenesis of a number of metabolic, hemodynamic, and systemic pathologic diseases, including metabolic syndrome, hypertension, stroke, and atherosclerosis. A number of epidemiologic studies have linked hyperuricemia with each of these disorders. In some studies, therapies that lower uric acid may prevent or improve certain components of the metabolic syndrome. There is an association between uric acid and the development of systemic lupus erythematosus; the connection between other rheumatic diseases such as rheumatoid arthritis and osteoarthritis is less clear. The mechanism for the role of uric acid in disorders other than gout is not well established but recent investigations point towards systemic inflammation induced by urate, as the major pathophysiological event common to systemic diseases, including atherosclerosis

QXAI: Explainable AI Framework for Quantitative Analysis in Patient Monitoring Systems

Artificial Intelligence techniques can be used to classify a patient's physical activities and predict vital signs for remote patient monitoring. Regression analysis based on non-linear models like deep learning models has limited explainability due to its black-box nature. This can require decision-makers to make blind leaps of faith based on non-linear model results, especially in healthcare applications. In non-invasive monitoring, patient data from tracking sensors and their predisposing clinical attributes act as input features for predicting future vital signs. Explaining the contributions of various features to the overall output of the monitoring application is critical for a clinician's decision-making. In this study, an Explainable AI for Quantitative analysis (QXAI) framework is proposed with post-hoc model explainability and intrinsic explainability for regression and classification tasks in a supervised learning approach. This was achieved by utilizing the Shapley values concept and incorporating attention mechanisms in deep learning models. We adopted the artificial neural networks (ANN) and attention-based Bidirectional LSTM (BiLSTM) models for the prediction of heart rate and classification of physical activities based on sensor data. The deep learning models achieved state-of-the-art results in both prediction and classification tasks. Global explanation and local explanation were conducted on input data to understand the feature contribution of various patient data. The proposed QXAI framework was evaluated using PPG-DaLiA data to predict heart rate and mobile health (MHEALTH) data to classify physical activities based on sensor data. Monte Carlo approximation was applied to the framework to overcome the time complexity and high computation power requirements required for Shapley value calculations.Comment: This work has been submitted to the ELSEVIER for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessibl

Neutrino masses in SU(5)×U(1)FSU(5)\times U(1)_F with adjoint flavons

We present a $SU(5)\times U(1)_F$ supersymmetric model for neutrino masses and mixings that implements the seesaw mechanism by means of the heavy SU(2) singlets and triplets states contained in three adjoints of SU(5). We discuss how Abelian $U(1)_F$ symmetries can naturally yield non-hierarchical light neutrinos even when the heavy states are strongly hierarchical, and how it can also ensure that $R$--parity arises as an exact accidental symmetry. By assigning two flavons that break $U(1)_F$ to the adjoint representation of SU(5) and assuming universality for all the fundamental couplings, the coefficients of the effective Yukawa and Majorana mass operators become calculable in terms of group theoretical quantities. There is a single free parameter in the model, however, at leading order the structure of the light neutrinos mass matrix is determined in a parameter independent way.Comment: 16 pages, 9 figures. Included contributions to neutrino masses from the triplet states contained in the three adjoints of SU(5

Visual Assessment of Soil Structure as an Early Indicator of Soil Quality in Response to Intensive Rotational Grazing

Grasslands can play a crucial role in mitigation of global warming by serving as carbon sink. Nevertheless, to achieve the grasslands’ potential, sustainable management is of the utmost importance as it determines system’s productivity and ecosystem services. Due to the increasing demand for animal products in developing countries, grazed areas increase exponentially in the tropics, mainly due to unsustainable management leading to low productivity and soil degradation. We evaluated the impact of intensive rotational grazing management (IRG) on early indicators of soil quality following land-use change based on on-farm observations of visual soil characteristics using two different widely used assessment methods: visual soil assessment-VSA and visual evaluation of soil structure-VESS. Correlation of visual methods were combined with measurements of soil macrofauna abundance and physical properties (e.g. bulk density, soil porosity). The IRG established in two study sites in Colombia was compared with traditional long-term continuous grazing with low stocking rate (1 LU ha-1). The IRG was based on rapid (1 day) cattle grazing in paddocks with high stocking rate (180 LU ha-1) followed by 60 days of recovery. In both study sites, IRG increased considerably total stocking rate to 4 LU ha-1 while improving grassland composition by enabling more valuable species, which contributed to soil quality and increased grassland productivity. Both VSA and VESS discriminated IRG-managed sites in less than one year after IRG adoption. Our results demonstrate that visual soil assessment is a useful mean for evaluation of soil quality and grassland productivity. Furthermore, VSA and VESS seemed to be more suitable in discriminating among management in early stages, when compared to commonly used soil physical properties, and were strongly correlated mainly to the abundance of earthworms. Furthermore, our study confirms the importance of grazing management in soil quality and ecosystem productivity/sustainability