Explicit calculation of natural aeration using a Volume-of-Fluid model

This is the author accepted manuscript. The final version is available from the publisher via the DOI in this record.Accurate prediction of the air-entrainment process in air-water two-phase turbulent flows is one of the most computationally challenging subjects under current investigation in hydraulic engineering. An ideal numerical model for air-entrainment needs to be accurate and fast in the definition of a macroscopic interface and simultaneously precise enough to take into account the formation of bubbles through the free-surface, their transport and their natural interactions: bubble-bubble and bubble-fluid. The problem is made more complex by the strong coupling between mesh and solution exhibited by interface capturing schemes which are commonly used for such problems. This paper examines numerical and modelling aspects of the entrainment process for two canonical cases; the 2D dam break and 3D circular plunging jet cases. We start by investigating the capacities of a Volume-of-Fluid based model to detect the free-surface and predict the velocities inside the water phase, examining the effect of coarsening and refining the mesh on the prediction of the interface location. A reformulated explicit term is used to detect bubble formation and air-entrainment at the free-surface, without the need of a calibration process and adapted to run together with Volume-of-Fluid models. The results obtained with this new approach are further compared with similar cases in the literature in terms of bubble formation and free-surface wave's amplitude. The correct definition of the free-surface was found to be strongly dependent on the mesh refinement in a way that has very significant implications for the development of air-entrainment modelling.This study was funded by FCT (Portuguese Foundation for Science 29 and Technology) through the Projects UID/MAR/04292/2013 and Grant SFRH/BD/85783/2012, financed by MEC 30 (Portuguese Ministry of Education and Science) and FSE (European Social Fund), under the programs POPH/QREN 31 (Human Potential Operational Programme from National Strategic Reference Framework) and POCH (Human Capital 32 Operational Programme) from Portugal2020

Effect of the presence of surfactant and ionic liquids on the esterification of oleic acid catalyzed by immobilized lipase

Ionic liquids (ILs) and surfactants are widely used in order to increase the catalytic efficiency of lipases. In this sense, the present study aimed to evaluate the potential of different ionic liquids (C4MIM.Ac, C4MIM.HSO4, C4MIM.TF2N, C4MIM.BF4, C12MIM.I, and C12MIM.Cl), Aliquat 336 and di-2-ethylhexyl sodium sulfosuccinate (AOT) as adjuvants in the esterification of oleic acid with different alcohols catalyzed by Novozyme 435. First of all, it evaluates the effect of alkyl chain length of the alcohol and the positioning of the hydroxyl group. The selection of additives, made with isopropyl alcohol, pointed AOT and C4MIM.Ac as adjuvants effective on the potential of esterification of the enzyme (an increase of 35% in the potential of esterification). Using methanol, ethanol and 3-methyl-1-butanol, the C4MIM.Ac was proven not to be efficient, while the AOT shows adjuvant effect in the esterification of oleic acid with methanol (increasing in catalytic efficiency of enzyme in 21%).Key words: Esterification, di-2-ethylhexyl sodium sulfosuccinate (AOT), Ionic Liquids, Novozyme 435

Vancomycin-Loaded, Nanohydroxyapatite-Based Scaffold for Osteomyelitis Treatment: In Vivo Rabbit Toxicological Tests and In Vivo Efficacy Tests in a Sheep Model

The treatment for osteomyelitis consists of surgical debridement, filling of the dead space, soft tissue coverage, and intravenous administration of antimicrobial (AM) agents for long periods. Biomaterials for local delivery of AM agents, while providing controllable antibiotic release rates and simultaneously acting as a bone scaffold, may be a valuable alternative; thus, avoiding systemic AM side effects. V-HEPHAPC is a heparinized nanohydroxyapatite (nHA)/collagen biocomposite loaded with vancomycin that has been previously studied and tested in vitro. It enables a vancomycin-releasing profile with an intense initial burst, followed by a sustained release with concentrations above the Minimum Inhibitory Concentration (MIC) for MRSA. In vitro results have also shown that cellular viability is not compromised, suggesting that V-HEPHAPC granules may be a promising alternative device for the treatment of osteomyelitis. In the present study, V-HEPHAPC (HEPHAPC with vancomycin) granules were used as a vancomycin carrier to treat MRSA osteomyelitis. First, in vivo Good Laboratory Practice (GLP) toxicological tests were performed in a rabbit model, assuring that HEPHAPC and V-HEPHAPC have no relevant side effects. Second, V-HEPHAPC proved to be an efficient drug carrier and bone substitute to control MRSA infection and simultaneously reconstruct the bone cavity in a sheep model.This work was financed by FEDER-Fundo Europeu de Desenvolvimento Regional funds through the COMPETE 2020-Operacional Programme for Competitiveness and Internationalisation (POCI), Portugal 2020; by Portuguese funds through FCT/MCTES in the framework of the project institute for Research and Innovation in Health Sciences (POCI-01-0145-FEDER-007274); by the Project Biotherapies (NORTE-01-0145-FEDER-000012); and by the project HEPHAPC Program RESOLVE, Norte 2020 (NORTE-01-0246-FEDER-000018). The authors would also like to acknowledge the technical support for histology and histochemical studies of Rui Fernandes and Rossana Correia and all the staff from HEMS/i3S, as well as the support of all the staff and students at the Hospital Veterinario-Universidade de Evora

Modulation of CD4 T cell function via CD6-targeting

In recent years molecules involved on the immune synapse became successful targets for therapeutic immune modulation. CD6 has been extensively studied, yet, results regarding CD6 biology have been controversial, in spite of the ubiquitous presence of this molecule on virtually all CD4 T cells. We investigated the outcome of murine and human antibodies targeting CD6 domain 1. We found that CD6-targeting had a major impact on the functional specialization of CD4 cells, both human and murine. Differentiation of CD4 T cells towards a Foxp3+ Treg fate was prevented with increasing doses of anti-CD6, while Th1 polarization was favoured. No impact was observed on Th2 or Th17 specialization. These in vitro results provided an explanation for the dose-dependent outcome of in vivo anti-CD6 administration where the anti-inflammatory action is lost at the highest doses. Our data show that therapeutic targeting of the immune synapse may lead to paradoxical dose-dependent effects due to modification of T cell fate.Funded by UID/BIM/50005/2019, project funded by Fundação para a Ciência e a Tecnologia (FCT) / Ministério da Ciência, Tecnologia e Ensino Superior (MCTES) throught Fundos do Orçamento do Estado, pela Fundação para a Ciência e a Tecnologia (FCT) ( PTDC/DTP-FTO/3080/2014 ); and by the project SRecognite Infect - ERA/0003/2015 using national funds through FCT . Funders did not have a role in study design, data collection, analysis, and interpretation, or in the writing of the manuscript

Selectivity of Pesticides used in Integrated Apple Production to the Lacewing, Chrysoperla externa

This research aimed to assess the toxicity of the pesticides abamectin 18 CE (0.02 g a.i. L-1), carbaryl 480 SC (1.73 g a.i. L-1), sulfur 800 GrDA (4.8 g a.i. L-1), fenitrothion 500 CE (0.75 g a.i. L-1), methidathion 400 CE (0.4 g a.i. L-1), and trichlorfon 500 SC (1.5 g a.i. L-1) as applied in integrated apple production in Brazil on the survival, oviposition capacity, and egg viability of the lacewing, Chrysoperla externa (Hagen) (Neuroptera: Chrysopidae) from Bento Gonçalves and Vacaria, Rio Grande do Sul State, Brazil. An attempt was made to study morphological changes caused by some of these chemicals, by means of ultrastructural analysis, using a scanning electronic microscope. Carbaryl, fenitrothion, and methidathion caused 100% adult mortality for both populations, avoiding evaluation of pesticides' effects on predator reproductive parameters. Abamectin and sulfur also affected the survival of these individuals with mortality rates of 10% and 6.7%, respectively, for adults from Bento Gonçalves, and were harmless to those from Vacaria at the end of evaluation. Trichlorfon was also harmless to adults from both populations. No compound reduced oviposition capacity. C. externa from Vacaria presented higher reproductive potential than those from Bento Gonçalves. In relation to egg viability, sulfur was the most damaging compound to both populations of C. externa. Ultrastructural analyses showed morphological changes in the micropyle and the chorion of eggs laid by C. externa treated with either abamectin or sulfur. The treatment may have influenced the fertilization of C. externa eggs and embryonic development. Sulfur was responsible for malformations in the end region of the abdomen and genitals of treated females. When applied to adults, abamectin, sulfur, and trichlorfon were harmless, while carbaryl, fenitrothion, and methidathion were harmful, according to the IOBC classification

Resistance and differential susceptibility of Bidens pilosa and B-subalternans biotypes to ALS-inhibiting herbicides

The frequent application of herbicides in agricultural areas may select resistant biotypes in weed populations, whose biological characteristics influence the speed and patterns of resistance. This research aims to charactere, simultaneously, resistance patterns and differential susceptibility of Bidens pilosa and B. subalternans biotypes to ALS-inhibiting herbicides of the imidazolinone and sulfonylurea chemical groups. Six hairy beggarticks biotypes, four suspected resistant and two known susceptible, were treated with eight rates of chlorimuron-ethyl or imazethapyr, in greenhouse conditions. Percent control and percent fresh weight of the plants were evaluated at 28 days after the application. B. subalternans is less susceptible to ALS-inhibiting herbicides than B. pilosa; B. subalternans biotypes were more resistant than B. pilosa biotypes; there are B. pilosa and B. subalternans biotypes with cross resistance to the ALS-inhibiting herbicides of the sulfonylurea and imidazolinone groups; there are different patterns of cross resistance to the diverse groups of ALS-inhibiting herbicides.63213914

An extracellular steric seeding mechanism for Eph-ephrin signaling platform assembly

Erythropoetin-producing hepatoma (Eph) receptors are cell-surface protein tyrosine kinases mediating cell-cell communication. Upon activation, they form signaling clusters. We report crystal structures of the full ectodomain of human EphA2 (eEphA2) both alone and in complex with the receptor-binding domain of the ligand ephrinA5 (ephrinA5 RBD). Unliganded eEphA2 forms linear arrays of staggered parallel receptors involving two patches of residues conserved across A-class Ephs. eEphA2-ephrinA5 RBD forms a more elaborate assembly, whose interfaces include the same conserved regions on eEphA2, but rearranged to accommodate ephrinA5 RBD. Cell-surface expression of mutant EphA2s showed that these interfaces are critical for localization at cell-cell contacts and activation-dependent degradation. Our results suggest a 'nucleation' mechanism whereby a limited number of ligand-receptor interactions 'seed' an arrangement of receptors which can propagate into extended signaling arrays