Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential. Dynamic properties are also analyzed by the simulations. We show that, for a chosen shape of the potential, the density, at constant pressure, has a maximum for a certain temperature. The line of temperatures of maximum density (TMD) was determined in the pressure-temperature phase diagram. Similarly the diffusion constant at a constant temperature, $D$, has a maximum at a density $\rho_{max}$ and a minimum at a density $\rho_{min}<\rho_{max}$. In the pressure-temperature phase-diagram the line of extrema in diffusivity is outside of TMD line. Although in this interparticle potential lacks directionality, this is the same behavior observed in SPC/E water.Comment: 16 page

THE SUSCEPTIBILITY OF RECENT ISOLATES OF Schistosoma mansoni TO PRAZIQUANTEL

Introduction: Schistosomiasis is a chronic disease caused by trematode flatworms of the genus Schistosoma and its control is dependent on a single drug, praziquantel (PZQ), but concerns over PZQ resistance have renewed interest in evaluating the in vitro susceptibility of recent isolates of Schistosoma mansoni to PZQ in comparison with well-established strains in the laboratory. Material and methods: The in vitro activity of PZQ (6.5-0.003 µg/mL) was evaluated in terms of mortality, reduced motor activity and ultrastructural alterations against S. mansoni. Results: After 3 h of incubation, PZQ, at 6.5 µg/mL, caused 100% mortality of all adult worms in the three types of recent isolates, while PZQ was inactive at concentrations of 0.08-0.003 µg/mL after 3 h of incubation. The results show that the SLM and Sotave isolates basically presented the same pattern of susceptibility, differing only in the concentration of 6.5 µg/mL, where deaths occurred from the range of 1.5 h in Sotave and just in the 3 h range of SLM. Additionally, this article presents ultrastructural evidence of rapid severe PZQ-induced surface membrane damage in S. mansoni after treatment with the drug, such as disintegration, sloughing, and erosion of the surface. Conclusion: According to these results, PZQ is very effective to induce tegument destruction of recent isolates of S. mansoni

Novel ocellatin peptides mitigate LPS-induced ROS formation and NF-kB activation in microglia and hippocampal neurons

© The Author(s) 2020. Open Access. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Cre-ative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not per-mitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.Cutaneous secretions of amphibians have bioactive compounds, such as peptides, with potential for biotechnological applications. Therefore, this study aimed to determine the primary structure and investigate peptides obtained from the cutaneous secretions of the amphibian, Leptodactylus vastus, as a source of bioactive molecules. The peptides obtained possessed the amino acid sequences, GVVDILKGAAKDLAGH and GVVDILKGAAKDLAGHLASKV, with monoisotopic masses of [M + H]± = 1563.8 Da and [M + H]± = 2062.4 Da, respectively. The molecules were characterized as peptides of the class of ocellatins and were named as Ocellatin-K1(1-16) and Ocellatin-K1(1-21). Functional analysis revealed that Ocellatin-K1(1-16) and Ocellatin-K1(1-21) showed weak antibacterial activity. However, treatment of mice with these ocellatins reduced the nitrite and malondialdehyde content. Moreover, superoxide dismutase enzymatic activity and glutathione concentration were increased in the hippocampus of mice. In addition, Ocellatin-K1(1-16) and Ocellatin-K1(1-21) were effective in impairing lipopolysaccharide (LPS)-induced reactive oxygen species (ROS) formation and NF-kB activation in living microglia. We incubated hippocampal neurons with microglial conditioned media treated with LPS and LPS in the presence of Ocellatin-K1(1-16) and Ocellatin-K1(1-21) and observed that both peptides reduced the oxidative stress in hippocampal neurons. Furthermore, these ocellatins demonstrated low cytotoxicity towards erythrocytes. These functional properties suggest possible to neuromodulatory therapeutic applications.Alexandra Plácido is a recipient of a post-doctoral grant from the project FCT (PTDC/BII-BIO/31158/2017). Renato Socodato and Camila Cabral Portugal hold postdoctoral fellowships from FCT (Refs: SFRH/BPD/91833/2012 and FRH/BPD/91962/2012, respectively). This work was funded through project UID/QUI/50006/2013-POCI/01/0145/FEDER/007265 (LAQV/REQUIMTE) with financial support from FCT/MEC through national funds and co-financed by FEDER, under the Partnership Agreement PT 2020info:eu-repo/semantics/publishedVersio

Hydrogen peroxide production regulates the mitochondrial function in insulin resistant muscle cells: Effect of catalase overexpression

AbstractThe mitochondrial redox state plays a central role in the link between mitochondrial overloading and insulin resistance. However, the mechanism by which the ROS induce insulin resistance in skeletal muscle cells is not completely understood. We examined the association between mitochondrial function and H2O2 production in insulin resistant cells. Our hypothesis is that the low mitochondrial oxygen consumption leads to elevated ROS production by a mechanism associated with reduced PGC1α transcription and low content of phosphorylated CREB. The cells were transfected with either the encoded sequence for catalase overexpression or the specific siRNA for catalase inhibition. After transfection, myotubes were incubated with palmitic acid (500μM) and the insulin response, as well as mitochondrial function and fatty acid metabolism, was determined. The low mitochondrial oxygen consumption led to elevated ROS production by a mechanism associated with β-oxidation of fatty acids. Rotenone was observed to reduce the ratio of ROS production. The elevated H2O2 production markedly decreased the PGC1α transcription, an effect that was accompanied by a reduced phosphorylation of Akt and CREB. The catalase transfection prevented the reduction in the phosphorylated level of Akt and upregulated the levels of phosphorylated CREB. The mitochondrial function was elevated and H2O2 production reduced, thus increasing the insulin sensitivity. The catalase overexpression improved mitochondrial respiration protecting the cells from fatty acid-induced, insulin resistance. This effect indicates that control of hydrogen peroxide production regulates the mitochondrial respiration preventing the insulin resistance in skeletal muscle cells by a mechanism associated with CREB phosphorylation and β-oxidation of fatty acids

Didactic Sequence for Teaching Exponential Function

This paper presents a methodological proposal for the teaching of exponential function, resulting from the application of a didactic sequence involving exponential function, where evidence of learning and the consolidation and application of mathematical concepts in problem solving were identified and analyzed. The Didactic Engineering of Michèle Artigue (1988) was used as a research methodology. As theoretical contributions that guided and enabled the development of the research, we chose the use of Mathematical Investigation in the classroom; Didactic Sequence in the conception of Zabala (1999); the Articulated Units of Conceptual Reconstruction proposed by Cabral (2017) and assumptions of Vygotsky\u27s theory. A didactic sequence composed of five UARC\u27s was elaborated to work the exponential function, with a view to minimizing the difficulties naturally imposed by the content to be explained. Microgenetic analysis of verbal interactions between teacher and students was used to analyze the results of the application. The results show that the students participating in the experiment showed evidence of learning, recorded during the process, and began to have a good understanding of the concepts and properties related to the topic, in addition to a good performance in carrying out the activities, facts that corroborate the potential of the didactic sequence proposed herein

A new method to detect globular clusters with the S-PLUS survey

In this paper, we describe a new method to select globular cluster (GC) candidates, including galaxy subtraction with unsharp masking, template fitting techniques, and the inclusion of Gaia’s proper motions. We report the use of the 12-band photometric system used by S-PLUS to determine radial velocities and stellar populations of GCs around nearby galaxies. Specifically, we assess the effectiveness of identifying GCs around nearby and massive galaxies (D 200 km s-1) in a multiband survey such as S-PLUS by using spectroscopically confirmed GCs and literature GC candidate lists around the bright central galaxy in the Fornax cluster, NGC 1399 (D = 19 Mpc), and the isolated lenticular galaxy NGC 3115 (D = 9.4 Mpc). Despite the shallow survey depth, which limits this work to r < 21.3 mag, we measure reliable photometry and perform robust SED fitting for a sample of 115 GCs around NGC 1399 and 42 GCs around NGC 3115, recovering radial velocities, ages, and metallicities for the GC populations. © 2021 The Author(s).MLB and CMdO acknowledge the financial support of the Sao Paulo Research Foundation (FAPESP) under grant 2019/23388-0. CEB acknowledges FAPESP, grant2016/12331-0. PC acknowledges support from Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) under grant 310041/2018-0. DdBS also acknowledges Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) process number 2017/00204-6 for the financial support. AC-S acknowledge funding from the brazilian agencies Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and the Fundação de Amparo à Pesquisa do Estado do RS (FAPERGS) through grants CNPq-403580/2016-1, CNPq-11153/2018-6, PqG/FAPERGS-17/2551-0001, FAPERGS/CAPES 19/2551-0000696-9, L’Oréal UNESCO ABC Para Mulheres na Ciência and the Chinese Academy of Sciences (CAS) President’s International Fellowship Initiative (PIFI) through grant E085201009. AA-C acknowledges support from the State Agency for Research of the Spanish MCIU through the ‘Center of Excellence Severo Ochoa’ award to the Instituto de Astrofísica de Andalucía (SEV-2017-0709). This work was funded with grants from Consejo Nacional de Investigaciones Científicas y Técnicas and Universidad Nacional de La Plata (Argentina). The S-PLUS project, including the T80-South robotic telescope and the S-PLUS scientific survey, was founded as a partnership between the Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP), the Observatório Nacional (ON), the Federal University of Sergipe (UFS), and the Federal University of Santa Catarina (UFSC), with important financial and practical contributions from other collaborating institutes in Brazil, Chile (Universidad de La Serena), and Spain (Centro de Estudios de Física del Cosmos de Aragón, CEFCA). We further acknowledge financial support from the São Paulo Research Foundation (FAPESP), the Brazilian National Research Council (CNPq), the Coordination for the Improvement of Higher Education Personnel (CAPES), the Carlos Chagas Filho Rio de Janeiro State Research Foundation (FAPERJ), and the Brazilian Innovation Agency (FINEP). The authors are grateful for the contributions from CTIO staff in helping in the construction, commissioning, and maintenance of the T80-South telescope and camera. We are also indebted to Rene Laporte and INPE, as well as Keith Taylor, for their important contributions to the project. We also thank CEFCA staff for their help with T80-South, specifically we thank Antonio Marín-Franch for his invaluable contributions in the early phases of the project, David Cristóbal-Hornillos and his team for their help with the installation of the data reduction package jype version 0.9.9, César Íãiguez for providing 2D measurements of the filter transmissions, and all other staff members for their support.Peer reviewe

A new method to detect globular clusters with the S-PLUS survey

In this paper, we describe a new method to select globular cluster (GC) candidates, including galaxy subtraction with unsharp masking, template fitting techniques, and the inclusion of Gaia’s proper motions. We report the use of the 12-band photometric system used by S-PLUS to determine radial velocities and stellar populations of GCs around nearby galaxies. Specifically, we assess the effectiveness of identifying GCs around nearby and massive galaxies (D 200 km s-1) in a multiband survey such as S-PLUS by using spectroscopically confirmed GCs and literature GC candidate lists around the bright central galaxy in the Fornax cluster, NGC 1399 (D = 19 Mpc), and the isolated lenticular galaxy NGC 3115 (D = 9.4 Mpc). Despite the shallow survey depth, which limits this work to r < 21.3 mag, we measure reliable photometry and perform robust SED fitting for a sample of 115 GCs around NGC 1399 and 42 GCs around NGC 3115, recovering radial velocities, ages, and metallicities for the GC populations. © 2021 The Author(s).MLB and CMdO acknowledge the financial support of the Sao Paulo Research Foundation (FAPESP) under grant 2019/23388-0. CEB acknowledges FAPESP, grant2016/12331-0. PC acknowledges support from Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) under grant 310041/2018-0. DdBS also acknowledges Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) process number 2017/00204-6 for the financial support. AC-S acknowledge funding from the brazilian agencies Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and the Fundação de Amparo à Pesquisa do Estado do RS (FAPERGS) through grants CNPq-403580/2016-1, CNPq-11153/2018-6, PqG/FAPERGS-17/2551-0001, FAPERGS/CAPES 19/2551-0000696-9, L’Oréal UNESCO ABC Para Mulheres na Ciência and the Chinese Academy of Sciences (CAS) President’s International Fellowship Initiative (PIFI) through grant E085201009. AA-C acknowledges support from the State Agency for Research of the Spanish MCIU through the ‘Center of Excellence Severo Ochoa’ award to the Instituto de Astrofísica de Andalucía (SEV-2017-0709). This work was funded with grants from Consejo Nacional de Investigaciones Científicas y Técnicas and Universidad Nacional de La Plata (Argentina). The S-PLUS project, including the T80-South robotic telescope and the S-PLUS scientific survey, was founded as a partnership between the Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP), the Observatório Nacional (ON), the Federal University of Sergipe (UFS), and the Federal University of Santa Catarina (UFSC), with important financial and practical contributions from other collaborating institutes in Brazil, Chile (Universidad de La Serena), and Spain (Centro de Estudios de Física del Cosmos de Aragón, CEFCA). We further acknowledge financial support from the São Paulo Research Foundation (FAPESP), the Brazilian National Research Council (CNPq), the Coordination for the Improvement of Higher Education Personnel (CAPES), the Carlos Chagas Filho Rio de Janeiro State Research Foundation (FAPERJ), and the Brazilian Innovation Agency (FINEP). The authors are grateful for the contributions from CTIO staff in helping in the construction, commissioning, and maintenance of the T80-South telescope and camera. We are also indebted to Rene Laporte and INPE, as well as Keith Taylor, for their important contributions to the project. We also thank CEFCA staff for their help with T80-South, specifically we thank Antonio Marín-Franch for his invaluable contributions in the early phases of the project, David Cristóbal-Hornillos and his team for their help with the installation of the data reduction package jype version 0.9.9, César Íãiguez for providing 2D measurements of the filter transmissions, and all other staff members for their support.Peer reviewe

A Draft of the Human Septin Interactome

Background: Septins belong to the GTPase superclass of proteins and have been functionally implicated in cytokinesis and the maintenance of cellular morphology. They are found in all eukaryotes, except in plants. In mammals, 14 septins have been described that can be divided into four groups. It has been shown that mammalian septins can engage in homo- and heterooligomeric assemblies, in the form of filaments, which have as a basic unit a hetero-trimeric core. In addition, it has been speculated that the septin filaments may serve as scaffolds for the recruitment of additional proteins. Methodology/Principal Findings: Here, we performed yeast two-hybrid screens with human septins 1-10, which include representatives of all four septin groups. Among the interactors detected, we found predominantly other septins, confirming the tendency of septins to engage in the formation of homo- and heteropolymeric filaments. Conclusions/Significance: If we take as reference the reported arrangement of the septins 2, 6 and 7 within the heterofilament, (7-6-2-2-6-7), we note that the majority of the observed interactions respect the ""group rule"", i.e. members of the same group (e. g. 6, 8, 10 and 11) can replace each other in the specific position along the heterofilament. Septins of the SEPT6 group preferentially interacted with septins of the SEPT2 group (p<0.001), SEPT3 group (p<0.001) and SEPT7 group (p<0.001). SEPT2 type septins preferentially interacted with septins of the SEPT6 group (p<0.001) aside from being the only septin group which interacted with members of its own group. Finally, septins of the SEPT3 group interacted preferentially with septins of the SEPT7 group (p<0.001). Furthermore, we found non-septin interactors which can be functionally attributed to a variety of different cellular activities, including: ubiquitin/sumoylation cycles, microtubular transport and motor activities, cell division and the cell cycle, cell motility, protein phosphorylation/signaling, endocytosis, and apoptosis.Fundao de Amparo a Pesquisa do Estado Sao Paulo (Fapesp)CAPES: Coordenao de Aperfeioamento de Pessoal de Navel SuperiorConselho Nacional de Pesquisa e Desenvolvimento (CNPq)Laboratorio Nacional de Biociencias-Centro Nacional de Pesquisa em Energia e Materais (LNBio-CNPEM