Search

The nonlinear optical susceptibilities are analyzed in their optical propagation length considering the incoherent-coherent contributions with the dependence on the relaxation times. In addition, some symmetry properties of the Four-Wave mixing (FWM) signal concerning the frequency detuning exchange are used in the study, without restricting ourselves to the maxima of population oscillations. We analyze the behaviors of these optical responses in a vibronic coupling scheme using a molecule model consisting of two coupled harmonic curves of electronic energies with displaced minima in position and nuclear energies. The solvent effect in our model is treated through the natural Bohr frequency shift to a time-dependent function, with explicit manifestations in its comparison as if the upper state were broadened. Our results for both FWM signal propagation and nonlinear optical susceptibilities are sensitive to the intramolecular coupling parameters, solvent stochasticity, and perturbation order for the treatment of the weak probe beam. The consideration of a second-order probe beam in FWM would not represent a significant contribution to the predicted results, since its percentage contribution is negligible within the model development framework; however, this contribution becomes important when increasing the ratio between longitudinal and transverse relaxation times.

We study the nonlinear absorptive and dispersive optical properties of molecular systems immersed in a thermal reservoir interacting with a four-wave mixing (FWM) signal. Residual spin-orbit Hamiltonians are considered in order to take into account the internal structure of the molecule. As system parameters in the dissipation processes, transverse and longitudinal relaxation times are considered for stochastic solute–solvent interaction processes. The intramolecular coupling effects on the optical responses are studied using a molecule model consisting of two coupled harmonic curves of electronic energies with displaced minima in nuclear energies and positions. In this study, the complete frequency space is considered through the pump–probe detuning, without restricting the derivations to only maximums of population oscillations. This approach opens the possibility of studying the behavior of optical responses, which is very useful in experimental design. Our results indicate the sensitivity of the optical responses to parameters of the molecular structure as well as to those derived from the photonic process of FWM signal generation.

Summary: Microplastic (MP) accumulation in the environment is accelerating rapidly, which has led to their effects on both the ecosystem and human life garnering much attention. This study is the first to examine the degradation of high-density polyethylene (HDPE) MPs via photoelectrocatalysis (PEC) using a TiO2-modified boron-doped diamond (BDD/TiO2) photoanode. This study was divided into three stages: (i) preparation of the photoanode through electrophoretic deposition of synthetic TiO2 nanoparticles on a BDD electrode; (ii) characterization of the modified photoanode using electrochemical, structural, and optical techniques; and (iii) degradation of HDPE MPs by electrochemical oxidation and photoelectrocatalysis on bare and modified BDD electrodes under dark and UV light conditions. The results indicate that the PEC technique degraded 89.91 ± 0.08% of HDPE MPs in a 10-h reaction and was more efficient at a lower current density (6.89 mA cm−1) with the BDD/TiO2 photoanode compared to electrochemical oxidation on bare BDD.

This paper applies intersectionality theory to analyze the challenges and successes of vulnerable communities in developing techno-capital—a form of cultural capital that influences individuals’ technology adoption and usage. Through ethnographic methods, such as participant observations and interviews among a group of working-class US Latinas in central Texas, this work aims to explore why digital inclusion programs should go beyond the first and second levels of the digital divide. Our findings show that this group of women faced unique barriers to digital inclusion, such as skills, time, perceived self-exclusion, and self-doubt. Even when Internet access, devices, and knowledge existed in their homes, they felt they lacked the abilities to access them, thus reflecting complex gendered family dynamics. A two-year ethnography with a non-profit serving the youth and parents of their neighborhood revealed that even this organization had trouble recognizing multiple, interconnected issues arising from gender, household roles, and age on top of the other categories of issues faced by working-class Latino immigrants in a large urban enclave. However, intersectional analysis by the lead author, when working for the non-profit, enabled her to better see and make decisions to serve these women’s needs for digital inclusion and parent education.

The effect of roasting, frying, microwave heating, and germination on the antioxidant properties, total phenolics and flavonoids content of two types of peanuts (Valencia and Virginia) grown in Mexico was investigated. The thermal treatments affected the phenolic content and the antioxidant capacity of the two varieties of peanuts differently (by ABTS, DPPH, FRAP and iron chelating activity methods). Germination was the best method to increase the antioxidant activity (up to 157% increase in the Virginia variety) and the contents of compounds with nutraceutical potential in the peanuts (up to 59% increase in total phenolics in the Valencia variety and 700% increase in total flavonoids in the Virginia variety). Germinated peanuts could be used as raw material for the production of functional foods.

Claviceps paspali is a fungus that mainly parasitises Paspalum dilatatum, generating a structure denominated sclerotium, in which indole-diterpenoid alkaloids are isolated. Its action mechanism is related to the inhibition of the gamma-aminobutyric acid receptor. It basically affects bovines, triggering the tremorgenic syndrome, the prevalence of this intoxication being relatively low in Europe. This work describes a clinical case on a cattle farm in Seville (southern Spain), composed of 91 bovines, 60% of which were principally affected with nervous clinical signs. The diagnosis was based on a clinical inspection of the animals, as well as of the presence of paspalum seed heads containing the sclerotia of Claviceps paspali in the plants present in the pastures. The causal agent was identified as being Claviceps paspali, which had parasitised numerous examples of Paspalum paspaloides. The indole-diterpenoid alkaloids produced by Claviceps paspali were identified using ultraviolet-visible spectrophotometry and mass spectrometry. At present, no effective aetiological treatment has been described for poisoning caused by this mycotoxin, so a supportive treatment was administered, and different handling methods were applied, resulting in the complete recovery of the animals. Finally, it was concluded that unusually high humidity and temperature levels for the region triggered the development of the sclerotium generated by this fungus.

Abstract Primary hyperoxaluria type 1 (PHT1) treatment is mainly focused on inhibiting the enzyme glycolate oxidase, which plays a pivotal role in the production of glyoxylate, which undergoes oxidation to produce oxalate. When the renal secretion capacity exceeds, calcium oxalate forms stones that accumulate in the kidneys. In this respect, detailed QSAR analysis, molecular docking, and dynamics simulations of a series of inhibitors containing glycolic, glyoxylic, and salicylic acid groups have been performed employing different regression machine learning techniques. Three robust models with less than 9 descriptors—based on a tenfold cross (Q2 CV) and external (Q2 EXT) validation—were found i.e., MLR1 (Q2 CV = 0.893, Q2 EXT = 0.897), RF1 (Q2 CV = 0.889, Q2 EXT = 0.907), and IBK1 (Q2 CV = 0.891, Q2 EXT = 0.907). An ensemble model was built by averaging the predicted pIC50 of the three models, obtaining a Q2 EXT = 0.933. Physicochemical properties such as charge, electronegativity, hardness, softness, van der Waals volume, and polarizability were considered as attributes to build the models. To get more insight into the potential biological activity of the compouds studied herein, docking and dynamic analysis were carried out, finding the hydrophobic and polar residues show important interactions with the ligands. A screening of the DrugBank database V.5.1.7 was performed, leading to the proposal of seven commercial drugs within the applicability domain of the models, that can be suggested as possible PHT1 treatment.

Objective The goal of this article is to present the analysis of anti‐abatacept antibody data from children with polyarticular‐course juvenile idiopathic arthritis (pJIA), treated with abatacept. The data are from 395 participants with pJIA from two abatacept registrational trials. Methods We analyzed immunogenicity data according to age groups, administration route (intravenous [IV] or subcutaneous [SC]), drug treatment interruption, and co‐medications (with or without methotrexate [MTX]) to assess impact on the incidence of anti‐abatacept antibodies. Results The overall immunogenicity incidences observed in both JIA trials ranged between 4.7% and 23.3%. There was a slightly higher immunogenicity incidence in the 2–5‐year‐old participants (15.2%) compared with 6–17‐year‐old participants (4.7%). In the study with SC dosing, the overall incidence on treatment was 2.3% (3% if co‐dosed with MTX), similar to the incidence for Period A of the IV study (similar duration of treatment as the SC study), which was 2.1% (1.4% if co‐dosed with MTX). In the IV study, the period following a 6‐month interruption in treatment had comparable immunogenicity incidences (22.9% with interruption vs. 18.2% without interruption, both co‐dosed with MTX and 0% for both not co‐dosed with MTX). In most cases, participants co‐dosed with MTX had higher immunogenicity incidences than those on abatacept alone. Conclusion Although some trends were noted in terms of incidence according to age and MTX co‐dosing, none where conclusive owing to differences in population size. Drug holiday had no impact on immunogenicity incidence once treatment was resumed, and incidences across SC and IV dosing were comparable. There was no impact of immunogenicity on pharmacokinetics, safety, and efficacy.

Abstract This study presents the first hydrogeochemical model of the hydrothermal systems of Turrialba and Irazú volcanoes in central Costa Rica, manifested as thermal springs, summit crater lakes, and fumarolic degassing at both volcanoes. Our period of observations (2007–2012) coincides with the pre- and early syn-phreatic eruption stages of Turrialba volcano that resumed volcanic unrest since 2004, after almost 140 years of quiescence. Peculiarly, the generally stable Irazú crater lake dropped its level during this reawakening of Turrialba. The isotopic composition of all the discharged fluids reveals their Caribbean meteoric origin. Four groups of thermal springs drain the northern flanks of Turrialba and Irazú volcanoes into two main rivers. Río Sucio (i.e. “dirty river”) is a major rock remover on the North flank of Irazú, mainly fed by the San Cayetano spring group. Instead, one group of thermal springs discharges towards the south of Irazú. All thermal spring waters are of SO4-type (i.e. steam-heated waters), none of the springs has, however, a common hydrothermal end-member. A water mass budget for thermal springs results in an estimated total output flux of 187 ± 37 L/s, with 100 ± 20 L/s accounted for by the San Cayetano springs. Thermal energy release is estimated at 110 ± 22 MW (83.9 ± 16.8 MW by San Cayetano), whereas the total rock mass removal rate by chemical leaching is ~ 3000 m3/year (~ 2400 m3/year by San Cayetano-Río Sucio). Despite Irazú being the currently less active volcano, it is a highly efficient rock remover, which, on the long term can have effects on the stability of the volcanic edifice with potentially hazardous consequences (e.g. flank collapse, landslides, phreatic eruptions). Moreover, the vapor output flux from the Turrialba fumaroles after the onset of phreatic eruptions on 5 January 2010 showed an increase of at least ~ 260 L/s above pre-eruptive background fumarolic vapor fluxes. This extra vapor loss implies that the drying of the summit hydrothermal system of Turrialba could tap deeper than previously thought, and could explain the coincidental disappearance of Irazú’s crater lake in April 2010.

We construct a kinetic model, analogous to a simple chemical reaction, to describe the spatial propagation of the electromagnetic fields in four-wave mixing spectroscopy in a two-level molecular model, explicitly taking into account the stochastic effects of the solvent. We show that in this case, the nonlinear optics processes (absorption and scattering) along the optical path can be described using an analogy with the kinetic processes that occur in a chemical reaction. A key result is that it is possible to define an apparent equilibrium constant that regulates the competition of the photonic processes that take place, an idea conceptually similar to Einstein’s model for spontaneous emission and how it can be connected to induced emission in atoms and molecules but including an extension to nonlinear optical and relaxation processes. Our model can be generalized to describe a variety of phenomena in nano-photonics and plasmonic systems.

Microbial biofilms cause several environmental and industrial issues, even affecting human health. Although they have long represented a threat due to their resistance to antibiotics, there are currently no approved antibiofilm agents for clinical treatments. The multi-functionality of antimicrobial peptides (AMPs), including their antibiofilm activity and their potential to target multiple microbes, has motivated the synthesis of AMPs and their relatives for developing antibiofilm agents for clinical purposes. Antibiofilm peptides (ABFPs) have been organized in databases that have allowed the building of prediction tools which have assisted in the discovery/design of new antibiofilm agents. However, the complex network approach has not yet been explored as an assistant tool for this aim. Herein, a kind of similarity network called the half-space proximal network (HSPN) is applied to represent/analyze the chemical space of ABFPs, aiming to identify privileged scaffolds for the development of next-generation antimicrobials that are able to target both planktonic and biofilm microbial forms. Such analyses also considered the metadata associated with the ABFPs, such as origin, other activities, targets, etc., in which the relationships were projected by multilayer networks called metadata networks (METNs). From the complex networks’ mining, a reduced but informative set of 66 ABFPs was extracted, representing the original antibiofilm space. This subset contained the most central to atypical ABFPs, some of them having the desired properties for developing next-generation antimicrobials. Therefore, this subset is advisable for assisting the search for/design of both new antibiofilms and antimicrobial agents. The provided ABFP motifs list, discovered within the HSPN communities, is also useful for the same purpose.

This research reported a hydrogel loaded with the ethanolic and methanolic extracts of Eupatorium glutinosum Lam. The E. glutinosum extracts were characterized by phytochemical screening, Fourier-transform infrared spectroscopy (FTIR), thin-layer chromatography (TLC), and UV/Vis profile identification. This research also evaluated the pharmacological activity of the extracts using antimicrobial, antioxidant, and anti-inflammatory assays prior to polymeric encapsulation. Results indicate that extracts inhibit the Escherichia colii DH5-α (Gram negative) growth; excellent antioxidant activity was evaluated by the ferric reducing power and total antioxidant activity assays, and extracts showed an anti-hemolytic effect. Moreover, the cotton and microcrystalline cellulose hydrogels demonstrate successful encapsulation based on characterization and kinetics studies such as FTIR, extract release, and swelling degree. Moreover, effective antibacterial activity was registered by the loaded hydrogel. The overall results encourage and show that Eupatorium glutinosum-loaded hydrogel may find a wide range of bandage and wound healing applications in the biomedical area.

In this study, a series of novel quinolinone-based thiosemicarbazones were designed in silico and their activities tested in vitro against Mycobacterium tuberculosis (M. tuberculosis). Quantitative structure-activity relationship (QSAR) studies were performed using quinolinone and thiosemicarbazide as pharmacophoric nuclei; the best model showed statistical parameters of R2 = 0.83; F = 47.96; s = 0.31, and was validated by several different methods. The van der Waals volume, electron density, and electronegativity model results suggested a pivotal role in antituberculosis (anti-TB) activity. Subsequently, from this model a new series of quinolinone-thiosemicarbazone 11a–e was designed and docked against two tuberculosis protein targets: enoyl-acyl carrier protein reductase (InhA) and decaprenylphosphoryl-β-D-ribose-2’-oxidase (DprE1). Molecular dynamics simulation over 200 ns showed a binding energy of −71.3 to −12.7 Kcal/mol, suggesting likely inhibition. In vitro antimycobacterial activity of quinolinone-thiosemicarbazone for 11a–e was evaluated against M. bovis, M. tuberculosis H37Rv, and six different strains of drug-resistant M. tuberculosis. All compounds exhibited good to excellent activity against all the families of M. tuberculosis. Several of the here synthesized compounds were more effective than the standard drugs (isoniazid, oxafloxacin), 11d and 11e being the most active products. The results suggest that these compounds may contribute as lead compounds in the research of new potential antimycobacterial agents.

Increased added sugar consumption is associated with type II diabetes, metabolic syndrome, and cardiovascular disease. Low and no-calorie alternative sweeteners have long been used as an aid in the reduction of added sugar. Unfortunately, these alternative sweeteners often have notable sensory deficits when compared to sucrose. Furthermore, many alternative sweeteners have synthetic origins, while consumers are increasingly turning to foods from natural origins, and from more sustainable sources. Such sweeteners include the rare sugar allulose, which can be manufactured from common agricultural waste and dairy co-product streams, and is reported to have a sensory profile similar to sucrose. This study aimed to determine the influence of the rare sugar allulose on consumer perception of sweetened vanilla yogurt. Participants were recruited to evaluate 4 vanilla yogurts sweetened with either sucrose, allulose, stevia or sucralose, and to rate their liking of the samples overall, and for flavor, texture, and their purchase intent. Statistical analysis of hedonic data from 100 consumers suggested that allulose performed similarly to sucrose in liking and purchase intent, and superior to other sweeteners tested in this study, with fewer off-flavors. Moreover, when consumers were queried on their purchase intent after learning details on the sweetener for each formulation, allulose scored significantly higher than all other formulations in purchase intent. This study highlights the potential of the rare sugar allulose as a low calorie, zero glycemic index, natural and better tasting sugar replacement in sweetened yogurt.

Stability of masonry constructions is highly conditioned by the geometric disposition of its elements due to its low tensile strength and great compressive mechanical properties. Under this framework, this paper attempts to evaluate the suitability of a wearable mobile mapping solution, equipped in a backpack and based on the well-known simultaneous location and mapping paradigm, for the structural diagnosis of historical constructions. To evaluate the suitability of this device, the structural analysis obtained is compared with a high precision terrestrial laser scanner, which is considered as ground truth. The Romanesque church of San Pedro (Becerril del Carpio, Spain) was selected as a study case. This construction, initially conceived in the XIIIth century, has experimented in the past a soil settlement promoting the leaning of the north wall, several plastic hinges in its barrel vault and a visible geometrical deformation. The comparison of both techniques was carried out at different levels: i) an evaluation of the time needed to obtain the point cloud of the church; ii) an accuracy assessment based on the comparison of a terrestrial network using artificial spheres as checkpoints and; iii) an evaluation of the discrepancies, in terms of safety factor and collapse topology, found during the advance numerical evaluation of the barrel vault by means of the finite element method. This comparison places this wearable mobile mapping solution as an interesting tool for the creation of advanced numerical simulations to evaluate the structural stability of historical constructions.

A strong pump-power dependence of the four-wave mixing (FWM) signal for an aqueous solution of Malachite green is reported. The characteristics of the pump-power dependence of the nonlinear signal are reproduced by a theoretical model based on the coupling between pump-probe, considering signal fields and propagation effects. The effect of the intramolecular coupling on the nonlinear intensity of the FWM signal is studied using a model molecule consisting of two-coupled harmonic curves of electronic energies with minima displaced in energy and nuclear positions. Two-vibrational states are considered while including non-adiabatic effects for the two-state model. Moreover, the coupling among the field components, as well as the propagation effects, are studied by considering a constant pump-intensity. Our calculation scheme, considering both the intramolecular coupling effects in the description of the molecular structure and the effects produced by the propagation of the FWM signal along the optical length, allows the exponential dependence of the latter, as the intensity of the pumping beam increases. Our treatments do not require the inclusion of other non-resonant processes outside the RWA approximation, due to the consideration of an adiabatic basis.

Free fatty acid receptor 1 (FFA1) stimulates insulin secretion in pancreatic β-cells. An advantage of therapies that target FFA1 is their reduced risk of hypoglycemia relative to common type 2 diabetes treatments. In this work, quantitative structure–activity relationship (QSAR) approach was used to construct models to identify possible FFA1 agonists by applying four different machine-learning algorithms. The best model (M2) meets the Tropsha’s test requirements and has the statistics parameters R2 = 0.843, Q2CV = 0.785, and Q2ext = 0.855. Also, coverage of 100% of the test set based on the applicability domain analysis was obtained. Furthermore, a deep analysis based on the ADME predictions, molecular docking, and molecular dynamics simulations was performed. The lipophilicity and the residue interactions were used as relevant criteria for selecting a candidate from the screening of the DiaNat and DrugBank databases. Finally, the FDA-approved drugs bilastine, bromfenac, and fenofibric acid are suggested as potential and lead FFA1 agonists.

Dapsone (DDS) is an antibacterial drug with well-known antioxidant properties. However, the antioxidant behavior of its derivatives has not been well explored. In the present work, the antioxidant activity of 10 dapsone derivatives 4-substituted was determined by an evaluation in two in vitro models (DPPH radical scavenging assay and ferric reducing antioxidant power). These imine derivatives 1–10 were obtained through condensation between DDS and the corresponding aromatic aldehydes 4-substuited. Three derivatives presented better results than DDS in the determination of DPPH (2, 9, and 10). Likewise, we have three compounds with better reducing activity than dapsone (4, 9, and 10). In order to be more insight, the redox process, a conceptual DFT analysis was carried out. Molecular descriptors such as electronic distribution, the total charge accepting/donating capacity (I/A), and the partial charge accepting/donating capacity (ω+/ω−) were calculated to analyze the relative donor-acceptor capacity through employing a donor acceptor map (DAM). The DFT calculation allowed us to establish a relationship between GAPHOMO-LUMO and DAM with the observed antioxidant effects. According to the results, we concluded that compounds 2 and 3 have the lowest Ra values, representing a good antioxidant behavior observed experimentally in DPPH radical capturing. On the other hand, derivatives 4, 9, and 10 display the best reducing capacity activity with the highest ω− and Rd values. Consequently, we propose these compounds as the best antireductants in our DDS imine derivative series.

Coronavirus desease 2019 (COVID-19) is responsible for more than 1.80 M deaths worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed based on experimental pIC50 values reported for a structurally diverse dataset. A robust model with only five descriptors is found, with values of R2 = 0.897, Q2LOO = 0.854, and Q2ext = 0.876 and complying with all the parameters established in the validation Tropsha’s test. The analysis of the applicability domain (AD) reveals coverage of about 90% for the external test set. Docking and molecular dynamic analysis are performed on the three most relevant biological targets for SARS-CoV-2: main protease, papain-like protease, and RNA-dependent RNA polymerase. A screening of the DrugBank database is executed, predicting the pIC50 value of 6664 drugs, which are IN the AD of the model (coverage = 79%). Fifty-seven possible potent anti-COVID-19 candidates with pIC50 values > 6.6 are identified, and based on a pharmacophore modelling analysis, four compounds of this set can be suggested as potent candidates to be potential inhibitors of SARS-CoV-2. Finally, the biological activity of the compounds was related to the frontier molecular orbitals shapes.

Introducción: Los patógenos gramnegativos se han señalado en la literatura como los principales causantes de infecciones asociadas a la atención a la salud. Material y métodos: Analizamos los resultados en cuanto a resistencia antimicrobiana de los principales patógenos gramnegativos obtenidos por diversos métodos de cultivo recabados mediante un sistema de vigilancia epidemiológica de control de las infecciones asociadas a la atención a la salud durante todo el 2006 para compararlos con los obtenidos en el 2012. Resultados: Identificamos 10 patógenos gramnegativos que sumaron un total de 387 aislamientos, con una prevalencia mayor en el 2012 (0.37) vs. 2006 (0.36). Destacaron 4 patógenos, en orden de importancia: Klebsiella pneumoniae (113-29.1%), Escherichia coli (88-22.7%), Enterobacter cloacae (65-16.7%) y Pseudomonas aeruginosa (63-16.2%). Hubo otros con menos aislamientos, pero que en conjunto estaban dentro del grupo de patógenos «ESKAPE-E» (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa y Enterobacter sp.). Estos son causantes de infecciones asociadas a la atención de la salud desde el 2006, pero en menor proporción de eventos y con mejor susceptibilidad antimicrobiana. A diferencia del 2012 donde las resistencias a la mayoría de los antibióticos aumentó en poco más del 20%. Hubo alerta de multirresistencia sobre todo para Klebsiella pneumoniae, Escherichia coli y Klebsiella oxytoca. Pocos antibióticos (imipenem, meropenem, gentamicina y amikacina) mantuvieron su perfil de actividad en ambos periodos, y otros como ertapenem y quinolonas que no se usaban en el 2006, se mostraron con buena susceptibilidad antimicrobiana en el 2012. Conclusiones: Los patógenos «ESKAPE-E» son un problema real de salud pública y la multirresistencia antibiótica les permite evadir muchas de las opciones terapéuticas disponibles. Aunado al hecho de que no hay nuevos antimicrobianos, el realizar estudios y creas mapas de resistencias bacterianas en nuestras instituciones nos puede ayudar a tomar mejores decisiones al iniciar una terapéutica empírica.

Objetivos: Valorar el número de lesiones incidentales detectadas por resonancia magnética (RM) cardíaca, establecer el porcentaje de hallazgos incluidos en el informe y definir el porcentaje de lesiones extracardíacas con implicancia en el manejo del paciente. Materiales y métodos: Se revisaron retrospectivamente 918 RM de corazón, realizadas desde mayo de 2006 hasta marzo de 2015, en busca de hallazgos extracardíacos. Estos fueron clasificados en nada/poco relevantes o relevantes, y en relación causa-efecto con la sintomatología cardíaca. Resultados: Se encontraron 271 hallazgos extracardíacos. El 35,7% resultó relevante y el 18,8% tenía una relación de causa-efecto con la sintomatología cardíaca. Los hallazgos extracardíacos relevantes fueron informados en el 58,4% de los casos y los poco/nada relevantes en el 26,6%. Discusión: Diferentes muestras poblacionales y protocolos de RM cardíaca pueden condicionar los porcentajes de los hallazgos extracardíacos detectados. Además, el análisis de estas imágenes tiene peculiaridades que requieren conocimiento y entrenamiento para una correcta valoración. Conclusión: Se detectaron hallazgos extracardíacos de diversa relevancia en un 26,4% de los pacientes. Analizar estos hallazgos y establecer su valoración es parte fundamental del informe radiológico de la RM cardíaca.

Pin1 (peptidyl-prolyl cis-trans isomerase NIMA-interacting 1) is directly involved in cancer cell-cycle regulation because it catalyses the cis-trans isomerization of prolyl amide bonds in proteins. In this sense, a modeling evaluation of the inhibition of Pin1 using quinazoline, benzophenone, and pyrimidine derivatives was performed by using multilinear, random forest, SMOreg, and IBK regression algorithms on a dataset of 51 molecules, which was divided randomly in 78% for the training and 22% for the test set. Topological descriptors were used as independent variables and the biological activity (pIC50) as a dependent variable. The most robust individual model contained 9 features, and its predictive capability was statistically validated by the correlation coefficient for adjusting, 10-fold cross validation, test set, and bootstrapping with values of 0.910, 0.819, 0.841, and 0.803, respectively. In order to improve the prediction of the pIC50 values, the aggregation of the individual models was performed through the construction of an ensemble, and the most robust one was constructed by two individual models (LR3 and RF1) by applying the IBK algorithm, and a substantial improvement in predictive performance is reflected in the values of R2ADJ = 0.982, Q2CV = 0.962, and Q2EXT = 0.918. Mean square errors

La Flegmasía Cerúlea Dolens es una complicación rara y severa de la trombosis venosa profunda, que se manifiesta clínicamente con edema profuso, dolor y cianosis del miembro inferior afectado. La obstrucción masiva del sistema venoso determina un aumento de la presión de los compartimentos de la extremidad, que finalmente compromete la circulación arterial. Su tratamiento debe ser agresivo para evitar la gangrena y/o la muerte. Presentamos el caso de una paciente atendida en la Clínica La Sagrada Familia, Armenia – Colombia, quien consultó por cuadro clínico de edema progresivo en miembro inferior izquierdo, encontrando cambios isquémicos en falanges distales y edema grado III en miembro inferior izquierdo, con reporte de dúplex venoso con trombosis venosa profunda iliofemoral extensa izquierda y dúplex arterial con reducción de los flujos arteriales secundario a edema severo de tejidos blandos, se indica flebografía con trombólisis venosa por catéter regional en miembro inferior izquierdo con infusión continua de trombolítico. Con respectivos controles angiográficos a las 24 y 48 horas con recanalización del 80% de las venas iliaca, femoral y poplítea, se suspendió infusión y se retiró catéter, continuó anticoagulación con heparina no fraccionada hasta lograr paso a anticoagulación oral con posterior egreso hospitalario dado su evolución satisfactoria.

This paper presents a method for using high detail volumetric information, captured with a land based photogrammetric survey, to obtain information from individual trees. Applying LIDAR analysis techniques it is possible to measure diameter at breast height, height at first branch (commercial height), basal area and volume of an individual tree. Given this information it is possible to calculate how much of that tree can be exploited as wood. The main objective is to develop a methodology for successfully surveying one individual tree, capturing every side of the stem a using high resolution digital camera and reference marks with GPS coordinates. The process is executed for several individuals of two species present in the metropolitan area in San José, Costa Rica, Delonix regia (Bojer) Raf. and Tabebuia rosea (Bertol.) DC., each one with different height, stem shape and crown area. Using a photogrammetry suite all the pictures are aligned, geo-referenced and a dense point cloud is generated with enough detail to perform the required measurements, as well as a solid tridimensional model for volume measurement. This research will open the way to develop a capture methodology with an airborne camera using close range UAVs. An airborne platform will make possible to capture every individual in a forest plantation, furthermore if the analysis techniques applied in this research are automated it will be possible to calculate with high precision the exploit potential of a forest plantation and improve its management.