Atomic electrostatic maps of point defects in MoS2

In this study, we use differential phase contrast images obtained by scanning transmission electron microscopy combined with computer simulations to map the atomic electrostatic fields of MoS2 monolayers and investigate the effect of sulphur monovacancies and divancancies on the atomic electric field and total charge distribution. A significant redistribution of the electric field in the regions containing defects is observed, with a progressive decrease in the strength of the projected electric field for each sulphur atom removed from its position. The electric field strength at the sulphur monovacancy sites is reduced by approximately 50% and nearly vanishes at the divacancy sites, where it drops to around 15% of the original value, demonstrating the tendency of these defects to attract positively charged ions or particles. In addition, the absence of the sulphur atoms leads to an inversion in the polarity of the total charge distribution in these regions.The authors would like to acknowledge that this project has received funding from the EU Framework Program for Research and Innovation H2020, Scheme COFUND-Cofunding of Regional, National and International Programs, under grant agreement no. 713640. This work was supported by FCT, through IDMEC, under LAETA, project no. UIDB/50022/2020. R.M.R. acknowledges the FCT grant UIDB/FIS/04650/2020-2023. D.A. acknowledges the Presidential Early Career Award for Scientists and Engineers (PECASE) through the Army Research Office (W911NF-16-1-0277) and a National Science Foundation grant (ECCS-1809017). R.M.R. acknowledges support by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UIDB/04650/2020

ANALYSIS OF DISCRIMINATORY GAME VARIABLES BETWEEN WINNERS AND LOSERS IN WOMEN’S HANDBALL WORLD CHAMPIONSHIPS FROM 2007 TO 2017

The aim of this study was to identify game variables that discriminated winning from losing teams and to understand how these variables contributed to victory by observing goal differences in matches of the women’s handball world championships. The sample comprised 471 WCh’s games played between 2007 and 2017. The games were grouped into three clusters: balanced games – difference of 1-8 goals; unbalanced games – difference of 9-20 goals; and very unbalanced games – difference of > 20 goals. Generally, the performance of winning teams was significantly higher (in most variables), or lower in the case of the number of technical faults (p<.05). In the balanced games, there was a greater contribution of defensive variables (stolen balls, blocked throws, and goalkeeper’s efficiency indicators) in relation to attack variables (attack efficiency and throw efficiency indicators). For victory, the number of technical faults reduce the chances of winning. Games with the unbalanced and very unbalanced goal differences seem to follow the same tendency; however, in the very unbalanced games, there were more assists, yellow cards and 2-min suspensions. We concluded that the decisive variables for victory in the balanced games showed a greater weight, with a special emphasis on stolen balls followed by offensive variables (throw efficiency indicators, attack efficiency, and technical faults). There was an equal tendency for the games with unbalanced and very unbalanced outcomes

Knocking Down Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP) Reverts Chemoresistance through Inactivation of Src and Bcr-Abl Proteins

The development of multidrug resistance (MDR) limits the efficacy of continuous chemotherapeutic treatment in chronic myelogenous leukemia (CML). Low molecular weight protein tyrosine phosphatase (LMW-PTP) is up-regulated in several cancers and has been associated to poor prognosis. This prompted us to investigate the involvement of LMW-PTP in MDR. In this study, we investigated the role of LMW-PTP in a chemoresistant CML cell line, Lucena-1. Our results showed that LMW-PTP is highly expressed and 7-fold more active in Lucena-1 cells compared to K562 cells, the non-resistant cell line. Knocking down LMW-PTP in Lucena-1 cells reverted chemoresistance to vincristine and imatinib mesylate, followed by a decrease of Src and Bcr-Abl phosphorylation at the activating sites, inactivating both kinases. On the other hand, overexpression of LMW-PTP in K562 cells led to chemoresistance to vincristine. Our findings describe, for the first time, that LMW-PTP cooperates with MDR phenotype, at least in part, through maintaining Src and Bcr-Abl kinases in more active statuses. These findings suggest that inhibition of LMW-PTP may be a useful strategy for the development of therapies for multidrug resistant CML

(E)-1-Ethyl-4-oxo-N′-(4-pyridylmethyl­ene)-1,4-dihydroquinoline-3-carbo­hydrazide

In the title compound, C18H16N4O2, the plane defined by the ethyl C atoms and the attached N atom is inclined to the adjacent pyridine ring at an angle of 67.87 (16)°. The dihedral angle between the two heterocyclic rings is 3.33 (16)°. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond and the crystal structure by inter­molecular C—H⋯O hydrogen bonds, forming a one-dimensional structure

Stand dynamics modulate water cycling and mortality risk in droughted tropical forest

Transpiration from the Amazon rainforest generates an essential water source at a global and local scale. However, changes in rainforest function with climate change can disrupt this process, causing significant reductions in precipitation across Amazonia, and potentially at a global scale. We report the only study of forest transpiration following a long-term (>10 year) experimental drought treatment in Amazonian forest. After 15 years of receiving half the normal rainfall, drought-related tree mortality caused total forest transpiration to decrease by 30%. However, the surviving droughted trees maintained or increased transpiration because of reduced competition for water and increased light availability, which is consistent with increased growth rates. Consequently, the amount of water supplied as rainfall reaching the soil and directly recycled as transpiration increased to 100%. This value was 25% greater than for adjacent nondroughted forest. If these drought conditions were accompanied by a modest increase in temperature (e.g., 1.5°C), water demand would exceed supply, making the forest more prone to increased tree mortality.Peer reviewe

Magnetoliposomes incorporated in peptide-based hydrogels: towards development of magnetolipogels

A major problem with magnetogels is the encapsulation of hydrophobic drugs. Magnetoliposomes not only provide these domains but also improve drug stability and avert the aggregation of the magnetic nanoparticles. In this work, two magnetoliposome architectures, solid and aqueous, were combined with supramolecular peptide-based hydrogels, which are of biomedical interest owing to their biocompatibility, easy tunability, and wide array of applications. This proof-of-concept was carried out through combination of magnetoliposomes (loaded with the model drug curcumin and the lipid probe Nile Red) with the hydrogels prior to pH triggered gelation, and fluorescence spectroscopy was used to assess the dynamics of the encapsulated molecules. These systems allow for the encapsulation of a wider array of drugs. Further, the local environment of the encapsulated molecules after gelation is unaffected by the used magnetoliposome architecture. This system design is promising for future developments on drug delivery as it provides a means to independently modify the components and adapt and optimize the design according to the required conditions.FCT -Fundação para a Ciência e a Tecnologia(UIDB/00686/2020

Galacto-oligosaccharides production during lactose hydrolysis by free Aspergillus oryzae β-galactosidase and immobilized on magnetic polysiloxane-polyvinyl alcohol

The synthesis of galacto-oligosaccharides (GOS) by the action of Aspergillus oryzae β-galactosidase free and immobilized on magnetic polysiloxane-polyvinyl alcohol (mPOS-PVA) was studied. A maximum GOS concentration of 26% (w/v) of total sugars was achieved at near 55% lactose conversion from 50%, w/v lactose solution at pH 4.5 and 40 °C. Trisaccharides accounted for more than 81% of the total GOS produced. GOS formation was not considerably affected by pH and temperature. The concentrations of glucose and galactose encountered near maximum GOS concentration greatly inhibited the reactions and reduced GOS yield. GOS formation was not affected by enzyme immobilization in the mPOS-PVA matrix, indicating the absence of diffusional limitations in the enzyme carrier. Furthermore, this water insoluble magnetic derivative was reutilized 10-times and retained about 84% of the initial activity. In addition, the kinetic parameters for various initial lactose concentrations were determined and compared for the free and immobilized enzyme.David F. M. Neri gratefully acknowledges support by the Programme Alpan, the European Union Programme of High Level Scholarships for Latin America (Scholarship No. E05D057787BR). Luiz B. Carvalho Jr. is recipient of a scholarship of the Brazilian National Research Council (CNPq)

Quaternary structure of a G-protein coupled receptor heterotetramer in complex with Gi and Gs

Background: G-protein-coupled receptors (GPCRs), in the form of monomers or homodimers that bind heterotrimeric G proteins, are fundamental in the transfer of extracellular stimuli to intracellular signaling pathways. Different GPCRs may also interact to form heteromers that are novel signaling units. Despite the exponential growth in the number of solved GPCR crystal structures, the structural properties of heteromers remain unknown. Results: We used single-particle tracking experiments in cells expressing functional adenosine A1-A2A receptors fused to fluorescent proteins to show the loss of Brownian movement of the A1 receptor in the presence of the A2A receptor, and a preponderance of cell surface 2:2 receptor heteromers (dimer of dimers). Using computer modeling, aided by bioluminescence resonance energy transfer assays to monitor receptor homomerization and heteromerization and G-protein coupling, we predict the interacting interfaces and propose a quaternary structure of the GPCR tetramer in complex with two G proteins. Conclusions: The combination of results points to a molecular architecture formed by a rhombus-shaped heterotetramer, which is bound to two different interacting heterotrimeric G proteins (Gi and Gs). These novel results constitute an important advance in understanding the molecular intricacies involved in GPCR function

Plant traits controlling growth change in response to a drier climate

This is the final version. Available on open access from Wiley via the DOI in this recordPlant traits are increasingly being used to improve prediction of plant function, including plant demography. However, the capability of plant traits to predict demographic rates remains uncertain, particularly in the context of trees experiencing a changing climate. Here we present data combining 17 plant traits associated with plant structure, metabolism and hydraulic status, with measurements of long-term mean, maximum and relative growth rates for 176 trees from the world’s longest running tropical forest drought experiment. We demonstrate that plant traits can predict mean annual tree growth rates with moderate explanatory power. However, only combinations of traits associated more directly with plant functional processes, rather than more commonly employed traits like wood density or leaf mass per area, yield the power to predict growth. Critically, we observe a shift from growth being controlled by traits related to carbon cycling (assimilation and respiration) in well-watered trees, to traits relating to plant hydraulic stress in drought-stressed trees. We also demonstrate that even with a very comprehensive set of plant traits and growth data on large numbers of tropical trees, considerable uncertainty remains in directly interpreting the mechanisms through which traits influence performance in tropical forests.Conselho Nacional de Desenvolvimento Científico e TecnológicoNatural Environment Research Council (NERC)Australian Research Council (ARC)European Union FP7Fundação de Amparo à Pesquisa do Estado de São Paul