Molecular, biochemical, and sensorial characterization of cocoa (Theobroma cacao L.) beans: A methodological pathway for the identification of new regional materials with outstanding profiles.

Cocoa is an economically important product in Colombia. On-farm germplasm evaluations enable the selection of superior genotypes for propagation and distribution across the country. This study examined 12 cocoa samples from Antioquia along with five reference materials, employing 96 single nucleotide polymorphism (SNP) markers. Furthermore, these genetic findings were correlated with physical, chemical, and sensory attributes. Primary coordinate analysis revealed that the majority of samples were hybrids derived from five original germplasm pools, including Criollo, Amelonado, and three Upper Amazon Forastero cocoas. The integral profile of the 12 selected materials was classified into Modern Criollo (Rodriguez-Medina et al., 2019) [3], Forasteros (Rodriguez-Medina et al., 2019) [3], and Trinitarios (Borja Fajardo et al., 2022) [6]. Three key factors were identified to best account for the sample classification: type of variety, functional properties, and quality.

A Rare Complication of Henoch-Schönlein Purpura/IgA Vasculitis in an Adult Woman After COVID-19 Infection.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection can affect multiple organs due to activation of an inflammatory response. One of the key components of this response is the activation of immunoglobulin A (IgA), thus causing endothelial injury and inflammation. Henoch-Schönlein purpura (HSP) has been rarely reported in adult patients as a complication of the coronavirus disease 2019 (COVID-19) infection. In this report, we present a case of HSP occurring one week after the diagnosis of COVID-19 in a 23-year-old woman. Her symptoms included nausea, vomiting, diffused abdominal pain, joint pain, hematuria, and palpable purpura of the lower extremities. She was treated with intravenous methylprednisolone sodium succinate, followed by oral prednisone therapy, which resulted in clinical improvement, including resolution of abdominal and joint pain as well as skin rashes, without remaining renal complication.

Predicted Three-Dimensional Structure of the GCR1 Putative GPCR in Arabidopsis thaliana and Its Binding to Abscisic Acid and Gibberellin A1.

GCR1 has been proposed as a plant analogue to animal G-protein-coupled receptors that can promote or regulate several physiological processes by binding different phytohormones. For instance, abscisic acid (ABA) and gibberellin A1 (GA1) have been shown to promote or regulate germination and flowering, root elongation, dormancy, and biotic and abiotic stresses, among others. They may act through binding to GCR1, which would put GCR1 at the heart of key signaling processes of agronomic importance. Unfortunately, this GPCR function has yet to be fully validated due to the lack of an X-ray or cryo-EM 3D atomistic structure for GCR1. Here, we used the primary sequence data from Arabidopsis thaliana and the GEnSeMBLE complete sampling method to examine 13 trillion possible packings of the 7 transmembrane helical domains corresponding to GCR1 to downselect an ensemble of 25 configurations likely to be accessible to the binding of ABA or GA1. We then predicted the best binding sites and energies for both phytohormones to the best GCR1 configurations. To provide the basis for the experimental validation of our predicted ligand-GCR1 structures, we identify several mutations that should improve or weaken the interactions. Such validations could help establish the physiological role of GCR1 in plants.

Poliarteritis nodosa sistémica / Systemic polyarteritis nodosa

Resumen La poliarteritis nodosa sistémica de inicio en la infancia es una vasculitis caracterizada por inflamación y necrosis fibrinoide de las arterias de mediano y pequeño calibre, con cuadro clínico extraordinariamente variable y dependiente de la localización histológica de la lesión. Su compromiso cardiaco constituye un comportamiento infrecuente en pediatría, por lo que se considera de interés presentar el caso de un escolar de 8 años, determinado por compromiso hemodinámico secundario a derrame pericárdico, disfunción sistólica grave y múltiples dilataciones aneurismáticas, que permite establecer la sospecha de vasculitis de vasos pequeños y medianos. Se realiza un diagnóstico oportuno gracias al cual se evitan complicaciones potencialmente mortales y se instaura un tratamiento con buena respuesta a corto, mediano y largo plazo.

Abstract Systemic polyarteritis nodosa of childhood onset is a vasculitis characterized by inflammation and fibrinoid necrosis in the medium and small-caliber arteries, with an extraordinarily variable clinical picture and dependent on the histological location of the lesion. His cardiac involvement constitutes an infrequent behavior in pediatrics, so it is considered of interest to present the case of an 8-year-old schoolboy, characterized by hemodynamic compromise secondary to pericardial effusion, severe systolic dysfunction, and multiple aneurysmal dilatations that establish the suspicion of vasculitis. small and medium glasses. A timely diagnosis is made avoiding life-threatening complications and allowing to establish a treatment with a good response in the short, medium and long term.

The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization.

The OMICAS alliance is part of the Colombian government's Scientific Ecosystem, established between 2017-2018 to promote world-class research, technological advancement and improved competency of higher education across the nation. Since the program's kick-off, OMICAS has focused on consolidating and validating a multi-scale, multi-institutional, multi-disciplinary strategy and infrastructure to advance discoveries in plant science and the development of new technological solutions for improving agricultural productivity and sustainability. The strategy and methods described in this article, involve the characterization of different crop models, using high-throughput, real-time phenotyping technologies as well as experimental tissue characterization at different levels of the omics hierarchy and under contrasting conditions, to elucidate epigenome-, genome-, proteome- and metabolome-phenome relationships. The massive data sets are used to derive in-silico models, methods and tools to discover complex underlying structure-function associations, which are then carried over to the production of new germplasm with improved agricultural traits. Here, we describe OMICAS' R&D trans-disciplinary multi-project architecture, explain the overall strategy and methods for crop-breeding, recent progress and results, and the overarching challenges that lay ahead in the field.

Preparation of vibrational quasi-bound states of the transition state complex BrHBr from the bihalide ion BrHBr.

Efficient strategies that allow the preparation of molecular systems in particular vibrational states are important in the application of quantum control schemes to chemical reactions. In this paper, we propose the preparation of quasi-bound vibrational states of the collinear transition state complex BrHBr, from vibrational states of the bihalide ion BrHBr-, that favor the bond selective breakage of BrHBr. The results shown complement the investigation that we reported in a previous paper, [A. J. Garzón-Ramírez, J. G. López and C. A. Arango, Int. J. Quantum Chem., 2018, 24, e25784], in which we demonstrated the feasibility of controlling the bond selective decomposition of the collinear BrHBr using linear combinations of reactive resonances. We employed a dipole moment surface, calculated at the QCISD/d-aug-cc-pVTZ level of theory, to simulate the interaction of the BrHBr- ground vibrational state with heuristically optimized sequences of ultrashort infrared linear chirped laser pulses to achieve a target vibrational state, resulting from expanding a chosen linear combination of reactive resonances of BrHBr in terms of vibrational eigenstates of BrHBr-. The results of our simulations show final states that capture the most relevant features of the target state with different levels of description depending on the sequence of laser pulses employed. We also discuss ways of improving the description of the target state and possible limitations of our approach.

Pneumothorax After a Fall in a Healthy Adolescent Athlete.

A pneumothorax is a pathological collection of air in the pleural space within the thoracic cavity. Pneumothoraxes are classified by the underlying etiology as spontaneous or traumatic, with spontaneous pneumothoraxes being further categorized into primary and secondary causes. Management historically involved admission with possible administration of oxygen or chest tube placements based on severity. We herein describe a pediatric -case of a likely blunt-force traumatic pneumothorax after a fall, successfully managed conservatively in the outpatient setting. The case highlights an acceleration-deceleration blunt trauma caused during a tackle at a football game and the importance of the clinical presentation, physical exam, and confirmation with a chest X-ray.

Guía atrapada durante cambio de electrodo del seno coronario en terapia de resincronización cardiaca / Trapped guidewire during coronary sinus electrode exchange in cardiac resynchronization therapy

Resumen Se presenta el caso de una paciente con atrapamiento de guía al interior del seno coronario durante el procedimiento de cambio de un electrodo (Sentus ProMRI OTW BP L-85) por desalojo asociado a disfunción de la terapia de resincronización cardiaca. Durante el implante del nuevo electrodo se presentó atrapamiento y retención intravascular de la guía utilizada para su posicionamiento a nivel del seno coronario, lo cual hizo imposible su remoción. La paciente no aceptó tratamiento quirúrgico, se encuentra en vigilancia médica y permanece asintomática desde hace 3 años.

Abstract It is reported the case of a patient with guidewire trapping inside the coronary sinus during an electrode exchange procedure (Sentus ProMRI OTW BP L-85) due to dislocation associated with dysfunction of cardiac re-synchronization therapy. During the implantation of the new electrode, entrapment of the guidewire used for its positioning at the level of the coronary sinus and intravascular retention were presented, making it impossible to remove it. The patient did not accept surgical treatment and has been under medical surveillance, asymptomatic for three years.

Corrigendum: The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization.

[This corrects the article DOI: 10.3389/fpls.2022.992663.].

Validation by Molecular Dynamics of the Major Components of Sugarcane Vinasse, On a Surface of Calcium Carbonate (Calcite).

There is ongoing interest in the alcohol industry to significantly reduce and/or add value to the liquid residue, vinasse, produced after the distillation and rectification of ethanol from sugar cane. Vinasse contains potassium, glycerol, and a protein component that can cause environmental issues if improperly disposed of. Currently, some industries have optimized their processes to reduce waste, and a significant proportion of vinasse is being considered for use as an additive in other industrial processes. In the manufacture of cement and asphalt, vinasse has been used in the mixtures at low concentrations, albeit with some physical and mechanical problems. This work is the first molecular approximation of the components of the sugar cane vinasse in an industrial context, and it provides atomic details of complex molecular events. In the current study, the major components of sugar cane vinasse, alone or complexed on the surface of calcium carbonate, were modeled and simulated using molecular dynamics. The results showed that the protein component, represented by the mannoprotein Mp1p, has a high affinity for forming hydrogen bonds with potassium and glycerol in the vinasse. Additionally, it provides atomic stability to the calcium carbonate surface, preserving the calcite crystalline structure in the same way potassium ions interact with the carbonate group through ion-dipole interactions to improve the cohesion of the modeled surface. On the contrary, when the glycerol molecule interacts with calcium carbonate using more than two hydrogen bonds, it triggers the breakdown of the crystalline structure of calcite expanding the ionic pair.

How best to approach these acute hand infections.

Antimicrobial therapy is not straightforward with the 4 infectious conditions reviewed here. Combination therapy at the start must usually be tailored once an organism is known.

How much for a broken heart? Costs of cardiovascular disease in Colombia using a person-based approach.

The shift of the Noncommunicable Diseases (NCDs) epidemic, including cardiovascular disease, from developed to Low and Middle Income Countries (LMIC), creates new challenges in contexts where there is poor information on healthcare costs. Clearly this information is essential for planning, and its relevance is even more valuable as a driver for prevention and control of NCDs. This paper begins to address that handicap by estimating the healthcare cost of Cardiovascular Disease (Coronary Heart Disease and Stroke) in Colombia, using a person-based approach. Results show that the annual healthcare cost of a person with Coronary Heart Disease is between INT$ 4,277 and INT$ 4,846, while the cost for a person with Stroke varies between INT$5,816 and INT$6,616. The expansion of the NCDs epidemic combined with such high costs threatens the financial sustainability of health systems; primary prevention and policies targeting structural and intermediate determinants of health are a promising way to make health systems financially sustainable.

Factores de riesgo y enfermedades cardiometabólicas en Risaralda 2017 proyectada a 2050 / Risk factors and cardiometabolic disease in Risaralda 2017 to 2050

Resumen Objetivo: Proyectar el comportamiento de factores de riesgo y de la incidencia de dos enfermedades cardiometabólicas, en una población colombiana entre 2017 y 2050. Metodología: Diseño de cohorte abierta basado en un modelo de microsimulación dinámica para la población adulta de Risaralda, Colombia. Los factores de riesgo analizados son tabaquismo, obesidad global, obesidad central y colesterol total. Se creó una población sintética que replica las características demográficas y de salud de Risaralda en 2010, utilizando algoritmos de emparejamiento e imputación estadística. La evolución a lo largo del curso de vida se simuló basada en reglas derivadas de la literatura, con ecuaciones estocásticas y modelos econométricos. Se calcula la incidencia de diabetes tipo II y de eventos cerebrovasculares isquémicos de 2017 a 2050. Resultados: En 2050, 16.7 % serán fumadores, la tercera parte de ellos presentarán obesidad global y más de la mitad presentarán obesidad central. El promedio de colesterol total aumentará 5 mg/dL. Adicionalmente, se espera que entre 2017 y 2050 se presenten 204.966 casos nuevos de diabetes y 65.758 eventos cerebrovasculares isquémicos. Conclusiones: Los estilos de vida y el envejecimiento poblacional, llevarán a mayor exposición a riesgo y aumentarán la velocidad a la que los risaraldenses se enfermarán de Diabetes y experimentarán eventos cerebrovasculares. La obesidad global y central son factores que explicarían esta tendencia. Se requieren intervenciones intersectoriales que protejan a la población y reduzcan cargas fiscales por condiciones evitables.

Abstract Objective: predict the behavior of the risk factors and the incidence of two cardiometabolic diseases in a population from Colombia between 2017 and 2050. Methodology: Follow up of individual's cohort of an artificial society of Risaralda, Colombia, based on a microsimulation model. The risk factors analyzed in this study are tobacco use, obesity, central obesity and total cholesterol. A synthetic population was created to replicate demographic and health characteristics of Risaralda in 2010, using pairing algorithms and statistical imputation. The evolution along the life course was simulated based on rules from scientific literature, with stochastic equations and econometric estimates. The incidence of type II diabetes and ischemic stroke is calculated for the adult population between 2017 to 2050. Results: 16.7% of the adults by 2050 is expected to be smokers, a third of them will have global obesity and more than half will have central obesity. The average level of serum total cholesterol would increase by 5 mg/dL. Additionally, is expected that between 2017 and 2050 there will be 204.966 incident cases of diabetes and 65.758 first-ever ischemic stroke events. Conclusions: Lifestyles and expected population aging will lead to greater risk of disease and will increase the rate at which local people will get diabetes and ischemic stroke. Risk factors like global and central obesity explain this trend. Effective intersectoral interventions are needed to protect the population and reduce tax burden due to preventable conditions.

Heuristic optimization of analytic laser pulses for vibrational stabilization of ultracold KRb.

We proposed a methodology that allows to maximize the population transfer from a high vibrational state of the a 3Σ+ triplet state to the vibrational ground state of the X 1Σ+ singlet state though the optimization of one pump and one dump laser pulses. The pump pulse is optimized using a fitness function, heuristically improved, that includes the effect of the spin-orbit coupling of the KRb [b-A]-scheme. The dump pulse is optimized to maximize the population transfer to the ground state. We performed a comparison with the case in which the pump and dump pulses are optimized to maximize the population transfer to the ground state employing a genetic algorithm with a single fitness function. The heuristic approach turned out to be 70% more efficient than a quantum optimal control optimization employing a single fitness function. The method proposed provides simple pulses that have an experimental realm.

8 viral exanthems of childhood.

Some share features, making them difficult to distinguish. Others may not be on your radar. Here we review 8 you're likely to see or need to exclude.

Molecular Dynamics of a Water-Absorbent Nanoscale Material Based on Chitosan.

Although hydrogels have been widely investigated for their use in materials science, nanotechnology, and novel pharmaceuticals, mechanistic details explaining their water-absorbent features are not well understood. We performed an all-atom molecular dynamics study of the structural transformation of chitosan nanohydrogels due to water absorption. We analyzed the conformation of dry, nanoscaled chitosan, the structural modifications that emerge during the process of water inclusion, and the dynamics of this biopolymer in the presence of nature's solvent. Two sets of nanoscaled, single-chained chitosan models were simulated: one to study the swelling dependence upon the degree of self-cross-linking and other to observe the response with respect to the degree of protonation. We verified that nanohydrogels keep their ability to absorb water and grow, regardless of their degree of cross-linking. Noteworthy, we found that the swelling behavior of nanoscaled chitosan is pH-dependent, and it is considerably more limited than that of larger scale hydrogels. Thus, our study suggests that properties of nanohydrogels are significantly different from those of larger hydrogels. These findings might be important in the design of novel controlled-release and targeted drug-delivery systems based on chitosan.

Feasibility Study: Colombian Caribbean Folk Dances to Increase Physical Fitness and Health-Related Quality of Life in Older Women.

The objectives of the study were to describe the feasibility of an intervention in older women based on folk dances of the Colombian Caribbean region, and to analyze the effects of the intervention on physical fitness and health-related quality of life (HRQoL). A pilot study was conducted in a sample of 27 participants, 15 in the intervention group (IG) and 12 in the comparison group (CG). Caribbean Colombian dance rhythms were introduced as an intervention that lasted 12 weeks. Recruitment and retention was not optimal. Treatment fidelity components indicated that intervention was administered as intended. IG participants showed positive and statistically significant changes in some components of physical fitness. No significant changes were observed in HRQoL indicators for either group. In conclusion, the intervention was feasible, but recruitment and retention was challenging. Folk dances of the Colombian Caribbean region provoked significant results in physical fitness but not in HRQoL.

Analytical optimal pulse shapes obtained with the aid of genetic algorithms.

We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum optimal control is obtained by maximizing a multi-target fitness function using genetic algorithms. As a first application of the methodology, we generated an optimal pulse that successfully maximized the yield on a selected dissociation channel of a diatomic molecule. Our pulse is obtained as a linear combination of linearly chirped pulse functions. Data recorded along the evolution of the genetic algorithm contained important information regarding the interplay between radiative and diabatic processes. We performed a principal component analysis on these data to retrieve the most relevant processes along the optimal path. Our proposed methodology could be useful for performing quantum optimal control on more complex systems by employing a wider variety of pulse shape functions.

Associations between time spent traveling in motor vehicles and physical activity in Colombian adults from urban areas.

Sedentary behaviors are associated with less physical activity. Little evidence exists about this association and its relation with commuting time in Latin America. This study examined the association between time spent traveling in motor vehicles and physical activity levels in the domains of leisure time physical activity and transportation, among Colombian adults in urban areas. A secondary data analysis of the 2010 National Nutrition Survey was conducted. Time spent traveling in motor vehicles and physical activity were assessed using the International Physical Activity Questionnaire. Binary logistic regressions were conducted. Time spent traveling in motor vehicles for 120 minutes or more was reported among 27.6% of the sample. The prevalence of walking and bicycling as a means of transportation for at least 150 minutes per week was 34% and 4.4%, respectively. Achieving at least 150 minutes of leisure time physical activity a week was reported by 18.4% of the sample. This study suggests negative associations between time spent traveling in motor vehicles and active transport, with significant trend associations in stratified analyses. No significant associations were found between time spent traveling in motor vehicles and leisure time physical activity.

Associations between time spent traveling in motor vehicles and physical activity in Colombian adults from urban areas / Asociaciones entre el tiempo de viaje en vehículos motorizados y la actividad física en adultos colombianos de zonas urbanas / Associações entre o tempo gasto em viagens em veículos motorizados e atividade física em adultos colombianos de áreas urbanas

Sedentary behaviors are associated with less physical activity. Little evidence exists about this association and its relation with commuting time in Latin America. This study examined the association between time spent traveling in motor vehicles and physical activity levels in the domains of leisure time physical activity and transportation, among Colombian adults in urban areas. A secondary data analysis of the 2010 National Nutrition Survey was conducted. Time spent traveling in motor vehicles and physical activity were assessed using the International Physical Activity Questionnaire. Binary logistic regressions were conducted. Time spent traveling in motor vehicles for 120 minutes or more was reported among 27.6% of the sample. The prevalence of walking and bicycling as a means of transportation for at least 150 minutes per week was 34% and 4.4%, respectively. Achieving at least 150 minutes of leisure time physical activity a week was reported by 18.4% of the sample. This study suggests negative associations between time spent traveling in motor vehicles and active transport, with significant trend associations in stratified analyses. No significant associations were found between time spent traveling in motor vehicles and leisure time physical activity.

Comportamientos sedentarios se asocian con una menor actividad física. Existen pocas evidencias sobre esta asociación en relación con el tiempo de viaje en América latina. Se examinó la asociación entre el tiempo de viaje en vehículos motorizados y los niveles de actividad física en los dominios de actividad física en el tiempo libre y transporte, en adultos colombianos de zonas urbanas. Se realizó un análisis de datos secundarios de la Encuesta Nacional de Nutrición de 2010. El tiempo de viaje en vehículos motorizados y actividad física se evaluó a través del Cuestionario Internacional de Actividad Física. Se llevaron a cabo regresiones logísticas binarias. Tiempo de viaje en vehículos motorizados durante 120 minutos o más, fue reportado por el 27,6% de la muestra. La prevalencia de caminar y montar en bicicleta como medio de transporte fue de 34% y 4,4%, respectivamente. Realizar por lo menos 150 minutos a la semana de actividad física en el tiempo libre fue reportado por el 18,4% de la muestra. Este estudio sugiere asociaciones negativas entre tiempo de viaje en vehículos motorizados y transporte activo, con tendencias significativas en análisis estratificados. No hubo diferencias significativas entre tiempo de viaje en vehículos motorizados y actividad física en el tiempo libre.

Comportamentos sedentários estão associados com menos atividade física. Pouca evidência existe sobre esta associação relacionada ao tempo de viagem na América Latina. Este estudo analisou a associação entre o tempo gasto viajando em veículos a motor e os níveis de atividade física, nos domínios e atividade física de lazer e transporte entre adultos Colombianos em áreas urbanas. Uma análise secundária da Pesquisa Nacional de Nutrição de 2010 foi realizada. O tempo gasto viajando em veículos a motor e atividade física foram avaliados utilizando Questionário Internacional de Atividade Física. Regressões logísticas binárias foram realizados. O tempo gasto viajando em veículos a motor por 120 minutos ou mais foi relatado em 27,6% da amostra. A prevalência de caminhar ou andar de bicicleta para o transporte de pelo menos 150 minutos por semana foi de 34,0% e 4,4%, respectivamente. Alcançar pelo menos 150 minutos de atividade física de lazer em uma semana foi relatado em 18,4% da amostra. Este estudo sugere associações negativas entre tempo gasto viajando em veículos a motor e transporte ativo, com associações significativas de tendências na análise estratificada. Não houve diferenças significativas encontradas entre tempo gasto viajando em veículos a motor e atividade física de lazer.