Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists with selectivity for the human β3-adrenergic receptor and anti-obesity and anti-diabetic profiles

Indexación: Scopus.Acknowledgments: This work was supported by FONDECYT No. 11130701. We would also like to thank fDoTr CthLeafbr efeora vthaeil afrbeilei tayvoafiltahbeilsitoyf towfa trheer seoqfutwireadret orecqaulciureladt etothcealAcuDla(thet ttph:e/ A/dDt c(lhatbt.pw:/e/dbstc.cloabm.w/seobfst.wcoamre/-stoofotlws aarned-tools and http://teqip.jdvu.ac.in/QSAR_Tools/). SDG. Conflicts of Interest: The authors declare no conflict of interest. Conflicts of Interest: The authors declare no conflict of interest.The wide tissue distribution of the adrenergic β3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there is only one drug on the market, mirabegron, approved for the treatment of OAB. In the present study, we have carried out an extensive structure-activity relationship analysis of a series of 41 aryloxypropanolamine compounds based on three-dimensional quantitative structure-activity relationship (3D-QSAR) techniques. This is the first combined comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) study in a series of selective aryloxypropanolamines displaying anti-diabetes and anti-obesity pharmacological profiles. The best CoMFA and CoMSIA models presented values of r2 ncv = 0.993 and 0.984 and values of r2 test = 0.865 and 0.918, respectively. The results obtained were subjected to extensive external validation (q2, r2, r2 m, etc.) and a final series of compounds was designed and their biological activity was predicted (best pEC50 = 8.561). © 2018 by the authors.https://www.mdpi.com/1420-3049/23/5/119

Overfitting control inside cascade correlation neural networks applied to electricity contract price prediction

Prediction of electricity prices is considered a difficult task due to the number and complexity of factors that influence their performance, and their relationships. Neural networks cascade correlation - CASCOR allows to do a constructive learning and it captures better the characteristics of the data; however, it has a high tendency to overfitting. To control overfitting in some areas regularization techniques are used. However, in the literature there are no studies that: i) use regularization techniques to control overfitting in CASCOR networks, ii) use CASCOR networks in predicting of electrical series iii) compare the performance with tra­ditional neural networks or statistical models. The aim of this paper is to model and predict the behavior of the price series of electricity contracts in Colombia, using CASCOR networks and controlling the overfitting by regularization techniques.La predicción de precios de electricidad es considerada una tarea difí­cil debido a la cantidad y complejidad de los factores que influyen en su representación, y sus relaciones. Las redes neuronales tipo cascada correlación –CASCOR– permiten, realizar un aprendizaje constructivo, capturando mejor las características de los datos; sin embargo, presentan una alta tendencia al sobreajuste. Para el control del sobreajuste en algunos ámbitos se usan técnicas de regularización. No obstante, en la literatura no existen estudios que: i) Utilicen técnicas de regularización para el control de sobreajuste en redes CASCOR; ii) Usen redes CASCOR en la predicción de series de electricidad; iii) comparen el desempeño con redes neuronales tradicionales o modelos estadísticos. El objetivo de este artículo es modelar y predecir el comportamiento de la serie de precios de contratos de electricidad en Colombia, usando redes CASCOR y con­trolando el sobreajuste con técnicas de regularización

A New Kind of Quinonic-Antibiotic Useful Against Multidrug-Resistant S. aureus and E. faecium Infections

Indexación: Scopus.A rapid emergence of resistant bacteria is occurring worldwide, endangering the efficacy of antibiotics and reducing the therapeutic arsenal available for treatment of infectious diseases. In the present study, we developed a new class of compounds with antibacterial activity obtained by a simple, two step synthesis and screened the products for in vitro antibacterial activity against ATCC® strains using the broth microdilution method. The compounds exhibited minimum inhibitory concentrations (MIC) of 1⁻32 μg/mL against Gram-positive ATCC® strains. The structure⁻activity relationship indicated that the thiophenol ring is essential for antibacterial activity and the substituents on the thiophenol ring module, for antibacterial activity. The most promising compounds detected by screening were tested against methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus faecium (VREF) clinical isolates. We found remarkable activity against VREF for compounds 7 and 16, were the MIC50/90 were 2/4 µg/mL and 4/4 µg/mL, respectively, while for vancomycin the MIC50/90 was 256/512 µg/mL. Neither compound affected cell viability in any of the mammalian cell lines at any of the concentrations tested. These in vitro data show that compounds 7 and 16 have an interesting potential to be developed as new antibacterial drugs against infections caused by VREF.https://www.mdpi.com/1420-3049/23/7/177

Muriel Laurent, Rubén Egea y Alberto Vega. El antagonista. Una historia de contrabando y color. Novela gráfica.

Este libro constituye un acierto importante, en cuanto reconstruye gráficamente un caso histórico ubicado en los fondos del Archivo General de la Nación en Colombia.  A lo largo de más de cien páginas, la profesora Muriel Laurent y su equipo de dibujantes proponen un recorrido muy interesante y entretenido por los aconteceres y avatares vividos por burócratas y contrabandistas en inmediaciones del Río Magdalena. Esta obra hace parte del dispositivo que busca la difusión de la investigación que la profesora Laurent viene trabajando hace varios años y que tiene en el libro Contrabando en Colombia en el siglo XIX. Prácticas y discursos de resistencia y reproducción su principal exponente

Factores sociales que influyen en la adopción de hábitos alimentarios saludables en estudiantes que asisten al Centro Regional Universitario de San Miguelito, Universidad de Panamá, 2019

El presente estudio fue realizado en estudiantes que asisten al Centro Regional Universitario de San Miguelito con la finalidad de determinar los factores sociales que están influyendo en la adopción de hábitos alimentarios poco saludables en la población estudiantil. El estudio os no experimental, descriptivo, de carácter mixto (cualitativo y cuantitativo). correlacional- causal, do tipo transversal y longitudinal. En el mismo se utilizó como instrumento de recolección una encuesta de 31 items y dos entrevistas a entidades relacionadas con esta investigación. Los resultados de este estudio reflejaron que uno de los factores sociales que más influyo en la manera de alimentarse es el factor económico y cultural. Revelaron también que la mayor parte de la población estudiantil se preocupa por mantener un estado de salud favorable y trata de llevar una alimentación saludable, libre del cigarrillo y de bebidas alcohólicas, además es crítico con lo que consume ya que toma encuentra varios aspectos como el precio, el gusto, el valor nutritivo, la calidad de lo que cómo y esta anuente a informarse y capacitarse en materia de nutrición se refiere, todo esto debido al nivel educativo que posee, siendo esta importante para mejorar su calidad de vida

Fricke and polymer gel 2D dosimetry validation using Monte Carlo simulation

Complexity in modern radiotherapy treatments demands advanced dosimetry systems for quality control. These systems must have several characteristics, such as high spatial resolution, tissue equivalence, three-dimensional resolution, and dose-integrating capabilities. In this scenario, gel dosimetry has proved to be a very promising option for quality assurance. In this study, the feasibility of Fricke and polymer gel dosimeters suitably shaped in form of thin layers and optically analyzed by visible light transmission imaging has been investigated for quality assurance in external radiotherapy. Dosimeter irradiation was carried out with a 6-MV photon beam (CLINAC 600C). The analysis of the irradiated dosimeters was done using two-dimensional optical transmission images. These dosimeters were compared with a treatment plan system using Monte Carlo simulations as a reference by means of a gamma test with parameters of 1 mm and 2%. Results show very good agreement between the different dosimetric systems: in the worst-case scenario, 98% of the analyzed points meet the test quality requirements. Therefore, gel dosimetry may be considered as a potential tool for the validation of other dosimetric systems.Fil: Vedelago, José Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba; ArgentinaFil: Chacón Obando, D.. Universidad Nacional. Physics Department; Costa Rica. Universidad Nacional de Córdoba; ArgentinaFil: Malano, Francisco Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba; ArgentinaFil: Conejeros, R.. Servicio de Radioterapia, Icos. Temuco, Chile;Fil: Figueroa, R.. Universidad de la Frontera; ChileFil: Garcia, D.. Servicio de Imagenes por Resonancia Magnética; ChileFil: González, G.. Servicio de Imagenes por Resonancia Magnética; ChileFil: Romero, Marcelo Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; Argentina. Universidad Nacional de Córdoba; ArgentinaFil: Santibañez, M.. Servicio de Imagenes por Resonancia Magnética; ChileFil: Strumia, Miriam Cristina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto Multidisciplinario de Biología Vegetal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto Multidisciplinario de Biología Vegetal; ArgentinaFil: Velásquez, J.. Servicio de Radioterapia; ChileFil: Mattea, Facundo. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Valente, M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad de La Frontera. Departamento de Ciencias Físicas; Chil

Bats use live fences to move between tropical dry forest remnants

Linear features can benefit wildlife by assisting animal movement. We captured bats along barbedâ wire and liveâ tree fences connecting tropical dry forest patches in Nicaragua. Bat species richness and captures were higher along live fences but we noted differences in sex ratios, richness, and species composition compared to surrounding natural forests.Abstract in Spanish is available with online onlyResumenLa degradación del hábitat y fragmentación del bosque son amenazas para la biodiversidad a nivel mundial. Estructuras lineales pueden beneficiar la vida silvestre, al asistir movimiento de animales entre parches de hábitat. Cercas definen cultivos o áreas de pastoreo usando alambre de púas y postes de madera, pero las cercas vivas reemplazan los postes de madera con árboles, creando corredores que animales pueden usar para moverse a través del paisaje fragmentado. Nosotros capturamos 279 murciélagos de 17 especies a lo largo de 27 sitios pareados de cercas tradicionales y cercas vivas conectando bosque seco tropical mesoamericano en el sudeste de Nicaragua. Riqueza y capturas de murciélagos fueron dos y cuatro veces mas altas en cercas vivas. Sin embargo, diferencias en proporciones de sexo, riqueza y composición de las capturas indican que las cercas vivas no proveen los mismos beneficios de conectividad para todas las especies.Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/153733/1/btp12751_am.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/153733/2/btp12751.pd

Identification and quantification of pathogenic helminth eggs using a digital image system

AbstractA system was developed to identify and quantify up to seven species of helminth eggs (Ascaris lumbricoides -fertile and unfertile eggs-, Trichuris trichiura, Toxocara canis, Taenia saginata, Hymenolepis nana, Hymenolepis diminuta, and Schistosoma mansoni) in wastewater using different image processing tools and pattern recognition algorithms. The system was developed in three stages. Version one was used to explore the viability of the concept of identifying helminth eggs through an image processing system, while versions 2 and 3 were used to improve its efficiency. The system development was based on the analysis of different properties of helminth eggs in order to discriminate them from other objects in samples processed using the conventional United States Environmental Protection Agency (US EPA) technique to quantify helminth eggs. The system was tested, in its three stages, considering two parameters: specificity (capacity to discriminate between species of helminth eggs and other objects) and sensitivity (capacity to correctly classify and identify the different species of helminth eggs). The final version showed a specificity of 99% while the sensitivity varied between 80 and 90%, depending on the total suspended solids content of the wastewater samples. To achieve such values in samples with total suspended solids (TSS) above 150 mg/L, it is recommended to dilute the concentrated sediment just before taking the images under the microscope. The system allows the helminth eggs most commonly found in wastewater to be reliably and uniformly detected and quantified. In addition, it provides the total number of eggs as well as the individual number by species, and for Ascaris lumbricoides it differentiates whether or not the egg is fertile. The system only requires basically trained technicians to prepare the samples, as for visual identification there is no need for highly trained personnel. The time required to analyze each image is less than a minute. This system could be used in central analytical laboratories providing a remote analysis service

Characterizations of complete linear Weingarten spacelike submanifolds in a locally symmetric semi-Riemannian manifold

In this paper, we deal with n-dimensional complete spacelike submanifolds Mn with flat normal bundle and parallel normalized mean curvature vector immersed in an (n + p)-dimensional locally symmetric semi-Riemannian manifold L_p^(n+p) of index p obeying some standard curvature conditions which are naturally satisfied when the ambient space is a semi-Riemannian space form. In this setting, we establish sufficient conditions to guarantee that, in fact, p = 1 and Mⁿ is isometric to an isoparametric hypersurface of L_1^(n+1)having two distinct principal curvatures, one of which is simple.The first author is partially supported by CAPES, Brazil. The second author is partially supported by CNPq, Brazil, grant 303977/2015- 9. The fourth author is partially supported by CNPq, Brazil, grant 308757/2015-7.peerReviewe