Novel 3-hydroxy-4-pyridinonato oxidovanadium(IV) complexes to investigate structure/activity relationships

A previous evaluation of the insulin-like activity of three 3-hydroxy-4-pyridinonato oxidovanadium(IV) complexes raised questions about structure/activity relationships, namely the influence of the hydrophilic/lipophilic balance of the complex and the capacity of the ligand to stabilize the +4 oxidation state of vanadium ion, on achieving an positive effect. To address these questions, we synthesized six new oxidovanadium(IV) complexes with variable hydrophilic/lipophilic balance, obtained by introducing different substituents on the nitrogen atom, and used two 3-hydroxy-4-pyrones as starting reagents to provide methyl and ethyl groups in the ortho position of the ring. For the new and previously reported complexes, we studied the oxidation–reduction properties and insulin-like activity in terms of inhibitory effect on Free fatty acid (FFA) release in isolated rat adipocytes. The results obtained show that only one of the complexes, Bis(3-hydroxy-1(H)-2-methyl-4-pyridonato)oxidovanadium(IV), VO(mpp)2, exhibits a significantly greater capacity to inhibit FFA release than VOSO4 and consequently is worthy to be considered for further studies. The establishment of structure activity relationships was not attainable but this study brings new information about the influence of some properties of the compounds on the achievement of an insulin-like effect. The results reveal that: (i) the oxidation–reduction cycles of the complexes are identical; (ii) the presence of more lipophilic substituents on the nitrogen atom does not enhance insulin-like properties; (iii) a high solubility in water proved to be not sufficient for a positive activity in inhibiting FFA release; (iv) a small molecular size may be an important property for reaching the right targets.info:eu-repo/semantics/publishedVersio

Building a Portuguese Coalition for Biodiversity Genomics

The diverse physiography of the Portuguese land and marine territory, spanning from continental Europe to the Atlantic archipelagos, has made it an important repository of biodiversity throughout the Pleistocene glacial cycles, leading to a remarkable diversity of species and ecosystems. This rich biodiversity is under threat from anthropogenic drivers, such as climate change, invasive species, land use changes, overexploitation or pathogen (re)emergence. The inventory, characterization and study of biodiversity at inter- and intra-specific levels using genomics is crucial to promote its preservation and recovery by informing biodiversity conservation policies, management measures and research. The participation of researchers from Portuguese institutions in the European Reference Genome Atlas (ERGA) initiative, and its pilot effort to generate reference genomes for European biodiversity, has reinforced the establishment of Biogenome Portugal. This nascent institutional network will connect the national community of researchers in genomics. Here, we describe the Portuguese contribution to ERGA’s pilot effort, which will generate high-quality reference genomes of six species from Portugal that are endemic, iconic and/or endangered, and include plants, insects and vertebrates (fish, birds and mammals) from mainland Portugal or the Azores islands. In addition, we outline the objectives of Biogenome Portugal, which aims to (i) promote scientific collaboration, (ii) contribute to advanced training, (iii) stimulate the participation of institutions and researchers based in Portugal in international biodiversity genomics initiatives, and (iv) contribute to the transfer of knowledge to stakeholders and engaging the public to preserve biodiversity. This initiative will strengthen biodiversity genomics research in Portugal and fuel the genomic inventory of Portuguese eukaryotic species. Such efforts will be critical to the conservation of the country’s rich biodiversity and will contribute to ERGA’s goal of generating reference genomes for European species.info:eu-repo/semantics/publishedVersio

Performance of algorithms that reconstruct missing transverse momentum in √s= 8 TeV proton-proton collisions in the ATLAS detector

The reconstruction and calibration algorithms used to calculate missing transverse momentum (EmissT ) with the ATLAS detector exploit energy deposits in the calorimeter and tracks reconstructed in the inner detector as well as the muon spectrometer. Various strategies are used to suppress effects arising from additional proton–proton interactions, called pileup, concurrent with the hard-scatter processes. Tracking information is used to distinguish contributions from the pileup interactions using their vertex separation along the beam axis. The performance of the EmissT reconstruction algorithms, especially with respect to the amount of pileup, is evaluated using data collected in proton–proton collisions at a centre-of-mass energy of 8 TeV during 2012, and results are shown for a data sample corresponding to an integrated luminosity of 20.3fb−1. The simulation and modelling of EmissT in events containing a Z boson decaying to two charged leptons (electrons or muons) or a W boson decaying to a charged lepton and a neutrino are compared to data. The acceptance for different event topologies, with and without high transverse momentum neutrinos, is shown for a range of threshold criteria for EmissT , and estimates of the systematic uncertainties in the EmissT measurements are presented.ATLAS Collaboration, for complete list of authors see dx.doi.org/10.1140/epjc/s10052-017-4780-2Funding: We thank CERN for the very successful operation of the LHC, as well as the support staff from our institutions without whom ATLAS could not be operated efficiently.We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWFW and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF and DNSRC, Denmark; IN2P3-CNRS, CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, HGF, and MPG, Germany; GSRT, Greece; RGC, Hong Kong SAR, China; ISF, I-CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; RCN, Norway; MNiSW and NCN, Poland; FCT, Portugal; MNE/IFA, Romania; MES of Russia and NRC KI, Russian Federation; JINR; MESTD, Serbia; MSSR, Slovakia; ARRS and MIZŠ, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC and Wallenberg Foundation, Sweden; SERI, SNSF and Cantons of Bern and Geneva, Switzerland; MOST, Taiwan; TAEK, Turkey; STFC, UK; DOE and NSF, United States of America. In addition, individual groups and members have received support from BCKDF, the Canada Council, CANARIE, CRC, Compute Canada, FQRNT, and the Ontario Innovation Trust, Canada; EPLANET, ERC, FP7, Horizon 2020 and Marie Skłodowska-Curie Actions, European Union; Investissements d’Avenir Labex and Idex, ANR, Région Auvergne and Fondation Partager le Savoir, France; DFG and AvH Foundation, Germany; Herakleitos, Thales and Aristeia programmes co-financed by EU-ESF and the Greek NSRF; BSF, GIF and Minerva, Israel; BRF, Norway; Generalitat de Catalunya, Generalitat Valenciana, Spain; the Royal Society and Leverhulme Trust, United Kingdom. The crucial computing support from all WLCG partners is acknowledged gratefully, in particular from CERN, the ATLAS Tier-1 facilities at TRIUMF (Canada), NDGF (Denmark, Norway, Sweden), CC-IN2P3 (France), KIT/GridKA (Germany), INFN-CNAF (Italy), NL-T1 (Netherlands), PIC (Spain), ASGC (Taiwan), RAL (UK) and BNL (USA), the Tier-2 facilities worldwide and large non-WLCG resource providers. Major contributors of computing resources are listed in Ref. [58].</p

Sistematização da assistência de enfermagem em uma unidade prisional fundamentada na Teoria de Orem

Aim: to report the experience of the application of nursing care systematization, based on the therapeutic self-care demands according to the concept formulated by Orem, in the health care of an inmate in a Prison Unit. Method: report of experience of the application of the assistance systematization in an intern of a Prison Unit on the countryside of Piauí, in 2014. Results: it is possible to develop nursing diagnoses related to the areas of health promotion, nutrition activity /rest, perception/cognition, self-perception and roles/relationships, with prescriptions built by considering the local reality. The major difficulties were: poor infrastructure and dangerousness, context and safety logistics of the prison environment. Conclusion: the study made it possible to understand the reality experienced by the nurse in the prison environment and to reflect on the importance of the implementation of care systematization in the quality and organization of the nursing team. Objetivo: relatar la experiencia de la aplicación de la sistematización de la asistencia de enfermería, con base en las demandas del autocuidado terapéutico, de acuerdo con el concepto formulado por Orem, sobre el cuidado de la salud en el interior de una unidad carcelaria. Método: informe de experiencia de la aplicación de la sistematización de la asistencia en un interno, de una unidad carcelaria, del interior de Piauí, en 2014. Resultados: fueron construidos diagnósticos de enfermería relacionados a la promoción de la salud nutrición actividad/descanso, percepción/cognición, autopercepción y roles/relacionamientos, con prescripciones construidas a partir de la realidad local. Las principales dificultades fueron: infraestructura deficitaria y peligrosidad, contexto y logística de seguridad del entorno carcelario. Conclusión: el estudio posibilitó comprender la realidad que viven los enfermeros de una cárcel y reflexionar sobre la importancia de la implementación de la sistematización de la asistencia para la calidad y la organización del equipo de enfermería.Objetivo: relatar a experiência da prática da sistematização da assistência de enfermagem, com base nas demandas terapêuticas de autocuidado de acordo com a teoria de Orem, para assistência à saúde em uma Unidade Prisional. Método: relato de experiência da prática da sistematização da assistência em um interno de uma Unidade Prisional do interior do Piauí, em 2014.  Resultados: foram construídos diagnósticos de enfermagem relacionados aos domínios de promoção da saúde, nutrição, atividade/repouso, percepção/cognição, autopercepção e papéis/relacionamentos, com prescrições construídas considerando a realidade local. As principais dificuldades foram: infraestrutura deficitária e periculosidade, contexto e logística de segurança do ambiente prisional. Conclusão: o estudo possibilitou compreender a realidade vivenciada pelo enfermeiro no ambiente prisional e refletir sobre a importância da implantação da sistematização da assistência para a qualidade e organização da equipe de enfermagem

Supramolecular Atropine Potentiometric Sensor

A supramolecular atropine sensor was developed, using cucurbit[6]uril as the recognition element. The solid-contact electrode is based on a polymeric membrane incorporating cucurbit[6]uril (CB[6]) as an ionophore, 2-nitrophenyl octyl ether as a solvent mediator, and potassium tetrakis (4-chlorophenyl) borate as an additive. In a MES-NaOH buffer at pH 6, the performance of the atropine sensor is characterized by a slope of (58.7 ± 0.6) mV/dec with a practical detection limit of (6.30 ± 1.62) × 10−7 mol/L and a lower limit of the linear range of (1.52 ± 0.64) × 10−6 mol/L. Selectivity coefficients were determined for different ions and excipients. The obtained results were bolstered by the docking and spectroscopic studies which demonstrated the interaction between atropine and CB[6]. The accuracy of the potentiometric analysis of atropine content in certified reference material was evaluated by the t-Student test. The herein proposed sensor answers the need for reliable methods providing better management of this hospital drug shelf-life while reducing its flush and remediation costs

Interaction between hydroxyethyl starch and propofol: computational and laboratorial study

<div><p>Background: Hydroxyethyl starch (HES) is one of the most used colloids for intravascular volume replacement during anesthesia. Aim: To investigate the existence of a chemical interaction between HES and the anesthetic propofol by <i>in vitro</i> propofol dosing, computational docking, and examination of a complex between propofol and HES by infrared (IR), ultraviolet (UV), and ¹H and ¹³C nuclear magnetic resonance (NMR) spectroscopy. Methods: Ten samples with human plasma mixed with HES or lactated Ringers (<i>n</i> = 5 for each fluid) were prepared, and the propofol free fraction was quantified until 50 min, using gas chromatography-mass spectrometry. The docking study was performed between HES and propofol and compared with controls. The binding affinities between HES and the small molecules were evaluated by binding free energy approximation (ΔGb, kJ mol⁻¹). The IR, UV, and NMR spectra were measured for propofol, HES, and a mixture of both obtained by the kneading method. Results: Propofol concentrations were significantly lower in the HES samples than in the LR samples (<i>p</i> = .021). The spectroscopic characterization of propofol combined with HES revealed differences in spectra and docking studies reinforced a potential interaction between propofol and HES. Conclusions: Propofol and HES form a complex with different physical-bio-chemical behavior than the single drugs, which may be an important drug interaction. Further studies should evaluate its clinical effects.</p></div

Assessing the prebiotic potential of xylooligosaccharides produced by one-step fermentation using agro-residues

The prebiotic effect is a fundamental concept in the fields of nutrition and gut health, referring to the beneficial effects of specific non-digestible dietary components on the gut microbiota, including xylooligosaccharides (XOS). These compounds function as food sources for beneficial gut bacteria, fostering their growth and activity. In this work, in vitro studies were performed to evaluate the prebiotic potential of XOS produced from olive stones (OS) and coffee silver skin (CSS) via a onestep fermentation using a recombinant Bacillus subtilis 3610 harbouring the xylanase gene xyn2 from Trichoderma reesei. This potential was compared with a commercially available prebiotic oligofructose (Orafti®, BENEO, Germany). A mixture of human faeces from four healthy donors aged between 24 and 28 years old was used as inoculum. The pH variation and the production of short-chain fatty acids (SCFAs), gases, and ammonia were analysed during the 48 hours fermentations. The prebiotic supplementation resulted in a reduction of the pH value over time, with oligofructose presenting the most significant pH drop at 48 hours (pH=3.65). The addition of prebiotics also significantly increased the production of beneficial SCFAs, with oligofrutose exhibiting a notable increase in the production of lactic and acetic acid production after 48 hours (28.0±0.1 and 28±1 mM, respectively), while OS-XOS and CSS-XOS demonstrated a more prominent rise towards the production of acetic acid (14.8±0.4 and 20.4±0.1 mM, respectively), butyric acid (2.5±0.3 and 3.29±0.04 mM, respectively), and valeric acid (75±1 and 110±14 mM, respectively) at 48 hours. Remarkably, the gas analysis revealed that the addition of OS/CSS-XOS fully suppressed the production of CH4 and increased the CO2 generation after 48 hours (2.6±0.7 and 5.20±0.05 mmol.L-1medium, respectively). These findings strongly suggest that the XOS produced from OS and CSS holds potential prebiotic properties for human health.CA, AC and JS acknowledge the junior researcher contract (CEECIND/00293/2020) and the PhD scholarships (UI/BD/153689/2022 and 2022.11695.BD), respectively, from the Portuguese Foundation of Science and Technology (FCT). This study was supported by FCT under the scope of the strategic funding of CIMO (UIDB/00690/2020 and UIDP/00690/2020), CEB (UIDB/04469/2020) and Associate Laboratory SusTEC (LA/P/0007/2020).info:eu-repo/semantics/publishedVersio