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.

Exploring the druggability of the binding site of aurovertin, an exogenous allosteric inhibitor of FOF1-ATP synthase.

In addition to playing a central role in the mitochondria as the main producer of ATP, FOF1-ATP synthase performs diverse key regulatory functions in the cell membrane. Its malfunction has been linked to a growing number of human diseases, including hypertension, atherosclerosis, cancer, and some neurodegenerative, autoimmune, and aging diseases. Furthermore, inhibition of this enzyme jeopardizes the survival of several bacterial pathogens of public health concern. Therefore, FOF1-ATP synthase has emerged as a novel drug target both to treat human diseases and to combat antibiotic resistance. In this work, we carried out a computational characterization of the binding sites of the fungal antibiotic aurovertin in the bovine F1 subcomplex, which shares a large identity with the human enzyme. Molecular dynamics simulations showed that although the binding sites can be described as preformed, the inhibitor hinders inter-subunit communications and exerts long-range effects on the dynamics of the catalytic site residues. End-point binding free energy calculations revealed hot spot residues for aurovertin recognition. These residues were also relevant to stabilize solvent sites determined from mixed-solvent molecular dynamics, which mimic the interaction between aurovertin and the enzyme, and could be used as pharmacophore constraints in virtual screening campaigns. To explore the possibility of finding species-specific inhibitors targeting the aurovertin binding site, we performed free energy calculations for two bacterial enzymes with experimentally solved 3D structures. Finally, an analysis of bacterial sequences was carried out to determine conservation of the aurovertin binding site. Taken together, our results constitute a first step in paving the way for structure-based development of new allosteric drugs targeting FOF1-ATP synthase sites of exogenous inhibitors.

Computational Design of Inhibitors Targeting the Catalytic ß Subunit of Escherichia coli FOF1-ATP Synthase.

With the uncontrolled growth of multidrug-resistant bacteria, there is an urgent need to search for new therapeutic targets, to develop drugs with novel modes of bactericidal action. FoF1-ATP synthase plays a crucial role in bacterial bioenergetic processes, and it has emerged as an attractive antimicrobial target, validated by the pharmaceutical approval of an inhibitor to treat multidrug-resistant tuberculosis. In this work, we aimed to design, through two types of in silico strategies, new allosteric inhibitors of the ATP synthase, by targeting the catalytic ß subunit, a centerpiece in communication between rotor subunits and catalytic sites, to drive the rotary mechanism. As a model system, we used the F1 sector of Escherichia coli, a bacterium included in the priority list of multidrug-resistant pathogens. Drug-like molecules and an IF1-derived peptide, designed through molecular dynamics simulations and sequence mining approaches, respectively, exhibited in vitro micromolar inhibitor potency against F1. An analysis of bacterial and Mammalia sequences of the key structural helix-turn-turn motif of the C-terminal domain of the ß subunit revealed highly and moderately conserved positions that could be exploited for the development of new species-specific allosteric inhibitors. To our knowledge, these inhibitors are the first binders computationally designed against the catalytic subunit of FOF1-ATP synthase.

Sucrose esters from the calyxes of Physalis chenopodifolia.

Three new sucrose esters, physachenoses A-C (1-3) and the known withanolide, physachenolide D (4), were isolated from the calyxes of Physalis chenopodifolia Lam. Analysis of the MS, 1D and 2D NMR spectra of the new compounds allowed to determine their structures as 3'-O-dodecanoyl-2,3,4-tri-O-isobutyrylsucrose (1), 3'-O-dodecanoyl-2,4-di-O-isobutyryl-3-O-2-methylbutanoylsucrose (2), and 3'-O-dodecanoyl-2-O-isobutyryl-3-O-2-methylbutanoylsucrose (3).

Complicaciones de la nefrolitotomía percutánea como tratamiento de la litiasis renal coraliforme

RESUMEN Introducción: La nefrolitotomía percutánea es la primera opción terapéutica para la litiasis renal coraliforme. Objetivo: Caracterizar a los pacientes con complicaciones de la nefrolitotomía percutánea para el tratamiento de la litiasis renal coraliforme. Método: Se estudió una serie de 191 pacientes, operados mediante nefrolitotomía percutánea. Variables estudiadas: tipo de litiasis coraliforme, posición para la técnica, condición de libre de litiasis después de la operación, presencia de complicaciones, momento, tipo y grado según clasificación de Clavien-Dindo. Se hallaron frecuencias absolutas, relativas y se utilizó el test de ji cuadrado para determinar asociación entre variables. Resultados: El 86,9 % tenía menos de 60 años, 67,0 % eran masculinos, 61,7 % presentaba comorbilidades. La litiasis coraliforme era parcial o total (30,3 % y 46,5 %, respectivamente). En 60,2 % afectaba el riñón izquierdo; 58,1 % se operaron en supino y 70,2 % quedaron libre de litiasis con la nefrolitotomía percutánea monoterapéutica. Ocurrieron complicaciones en 19,9 %; 16,2 % fueron postoperatorias, 14,1 % infecciosas, 7,8 % Clavien-Dindo I y 5,2 % IIIb. El tipo de litiasis y la posición de la nefrolitotomía percutánea no se asociaron con las complicaciones (p> 0,05). El grado de la complicación no se relacionó con el tipo de litiasis (p> 0,05). Conclusiones: Las complicaciones postoperatorias más frecuentes son las relacionadas con la infección y el sangrado; predominan ligeramente en los pacientes con litiasis coraliformes parcial, total y en los operados en supino; el grado Clavien-Dindo de las complicaciones, es mayor en las litiasis coraliformes más complejas.

ABSTRACT Introduction: Percutaneous nephrolithotomy is the first therapeutic option for staghorn kidney stones. Objective: To characterize patients with complications of percutaneous nephrolithotomy for the treatment of staghorn renal lithiasis. Method: A series of 191 patients, operated by percutaneous nephrolithotomy, was studied. Variables studied: type of staghorn lithiasis, position for the technique, stone-free condition after the operation, presence of complications, time, type and grade according to the Clavien-Dindo classification. Absolute and relative frequencies were found and the chi-square test was used to determine the association between variables. Results: 86.9 % were less than 60 years old, 67,0 % were male, 61,7 % had comorbidities. The staghorn lithiasis was partial or total (30,3 % and 46,5 %, respectively). In 60,2 % it affected the left kidney; 58.1 % underwent supine surgery and 70,2 % were stone free with monotherapeutic percutaneous nephrolithotomy. Complications occurred in 19,9 %; 16,2 % were postoperative, 14,1 % infectious, 7,8 % Clavien-Dindo I, and 5,2 % IIIb. The type of lithiasis and the position of the percutaneous nephrolithotomy were not associated with complications (p> 0,05). The degree of complication was not related to the type of lithiasis (p> 0,05). Conclusions: The most frequent postoperative complications are those related to infection and bleeding; they slightly predominate in patients with partial and total staghorn stones and in those operated on in the supine position; the Clavien-Dindo grade of complications is higher in the more complex staghorn stones.

Study of seroprevalence in health personnel: Relation of vaccination with the presence of previous infection by SARS-COV-2 in the context of the national vaccination campaign for coronavirus after the first dose of the Gam-COVID-VAc vaccine (Sputnik -V). / Estudio de seroprevalencia en personal de salud: Relación de la vacunación con la presencia de infección previa por SARS-COV-2 en el contexto de la campaña nacional de vacunación para coronavirus luego de la primer dosis Gam-COVID-VAc (Sputnik-V)

In the context of the vaccination campaign for health personnel at high risk of exposure to SARS-COV-2 with the Sputnik-V vaccine, a study of seroprevalence of antibodies is proposed through the lateral flow test (Test of IgM and IgG antibodies of lateral flow type. COVID19 IgG / IgM Rapid Test from Orient Gene Biotech) in individuals who have or have not received the Sputnik-V vaccine. During the months of January to March 2021 in all health personnel who voluntarily give their consent, after at least 21 days after the first dose of the vaccine and in personnel who have not been vaccinated, the detection will be carried out qualitative antibody test with the lateral flow test (COVID19 IgG / IgM Rapid Test from Orient Gene Biotech), also recording previous RT-PCR, previous serology with IgG with a similar method, vaccination and seroconversion attributable to the first vaccination dose. Episodes of new infection will also be recorded in the period from 7 days after vaccination and during the follow-up period. The main objective of this work is to detect the prevalence of antibodies to SARS-COV-2 in health personnel with high exposure after the first dose of the Sputnik-V vaccine, as well as in unvaccinated personnel and its relationship with a previous confirmed infection for SARS -COV-2.

En el contexto de la campaña de vacunación del personal de salud con alto riesgo de exposición para SARS-COV-2 con la vacuna Sputnik 5, se plantea la realización de un estudio de seroprevalencia de anticuerpos a través del test de flujo lateral (Test de anticuerpos IgM e IgG de tipo flujo lateral. COVID19 IgG/IgM Rapid Test from Orient Gene Biotech) en individuos que haya o no recibido la vacuna Sputnik 5. Durante los meses de Enero a Marzo del 2021 en todo el personal de salud que preste en forma voluntaria su consentimiento, luego de al menos 21 días luego de la primera dosis de la vacuna y en personal que no haya sido vacunado, se realizará la detección cualitativa de anticuerpos con el test de flujo lateral (COVID19 IgG/IgM Rapid Test from Orient Gene Biotech) consignándose además PCR-RT previa, serología previa con IgG con método similar, vacunación y seroconversión atribuible a la primera dosis de vacunación. También se consignará episodios de infección nueva en el período que va desde 7 días luego de la vacunación y durante el período de seguimiento.  El objetivo principal de este trabajo es detectar la prevalencia de anticuerpos para SARS-COV-2 en personal de salud de alta exposición luego de la primera dosis de la vacuna Sputnik 5 además en personal no vacunado y su relación con infección previa confirmada para SARS-COV-2.

Engineering protein fragments via evolutionary and protein-protein interaction algorithms: de novo design of peptide inhibitors for FO F1 -ATP synthase.

Enzyme subunit interfaces have remarkable potential in drug design as both target and scaffold for their own inhibitors. We show an evolution-driven strategy for the de novo design of peptide inhibitors targeting interfaces of the Escherichia coli FoF1-ATP synthase as a case study. The evolutionary algorithm ROSE was applied to generate diversity-oriented peptide libraries by engineering peptide fragments from ATP synthase interfaces. The resulting peptides were scored with PPI-Detect, a sequence-based predictor of protein-protein interactions. Two selected peptides were confirmed by in vitro inhibition and binding tests. The proposed methodology can be widely applied to design peptides targeting relevant interfaces of enzymatic complexes.

A spectral reconstruction algorithm for two-plane Compton cameras.

One factor limiting the current applicability extent of hadron therapy is the lack of a reliable method for real time treatment monitoring. The use of Compton imaging systems as monitors requires the correct reconstruction of the distribution of prompt gamma productions during patient irradiation. In order to extract the maximum information from all the measurable events, we implemented a spectral reconstruction method that assigns to all events a probability of being either partial or total energy depositions. The method, implemented in a list-mode maximum likelihood expectation maximization algorithm, generates a four dimensional image in the joint spatial-spectral domain, in which the voxels containing the emission positions and energies are obtained. The analytical model used for the system response function is also employed to derive an analytical expression for the sensitivity, which is calculated via Monte Carlo integration. The performance of the method is evaluated through reconstruction of various experimental and simulated sources with different spatial and energy distributions. The results show that the proposed method can recover the spectral and spatial information simultaneously, but only under the assumption of ideal measurements. The analysis of the Monte Carlo simulations has led to the identification of two important degradation sources: the mispositioning of the gamma interaction point and the missing energy recorded in the interaction. Both factors are related to the high energy transferred to the recoil electrons, which can travel far from the interaction point and even escape the detector. These effects prevent the direct application of the current method in more realistic scenarios. Nevertheless, experimental point-like sources have been accurately reconstructed and the spatial distributions and spectral emission of complex simulated phantoms can be identified.

Parental perinatal exposure to bisphenol A reduces the threshold to disrupt blastocyst implantation via decreasing talin, occudin and E-cadherin levels.

The aim was to evaluate the effect of perinatal BPA exposure of one or both parents on the implantation index and expression of talin, occludin and E-cadherin in the uterine epithelial cells (UEC) of the offspring. Pregnant Wistar dams (F0) received BPA or vehicle from gestational day (GD) 6 to lactation day 21. F1 animals were mated forming four groups: Control dam-Control sire (C♀-C♂), BPA dam -Control sire (B♀-C♂), Control dam -BPA sire (C♀-B♂), BPA dam -BPA sire (B♀-B♂). F1 dams were sacrificed at GD 6. Significantly decreased number of implantation sites was observed in the B♀-B♂ group as compared to the C♀-C♂ group, which correlated with decreased talin apical/basal expression ratio, occludin apical expression, and E-cadherin apical/lateral expression ratio in the UEC. Furthermore, decreased E-cadherin expression in the blastocyst was observed. Our data suggest that reduced protein expressions in F1 BPA offspring could result from decreased progesterone serum levels.

Effect of the solar drying process on the sensory and chemical quality of cocoa (Theobroma cacao L.) cultivated in Antioquia, Colombia.

The quality of Theobroma cacao L. is influenced by different variables both in the crop and in the processes of postharvest, the latter it includes the fermentation and the drying, fundamental for the formation of aroma and flavor precursors, determinants in the characteristics of quality and differentiation of cocoa in the chocolate industry. The objective of the present research was to evaluate the effect of the solar drying process using a plastic roof solar dryer on the sensory and chemical quality of a mixture of cocoa cultivated in a region of Antioquia, Colombia. The content of total polyphenols, anthocyanins, sugars, mannitol, pH, total acidity, humidity, ethereal extract, ash, crude fiber and odor and flavor descriptors were analyzed. For analyzing the data, we used the methodology of longitudinal data analysis and repeated measurements, a Principal Component Analysis (PCA), and a principal factor analysis. The analyzed sensory characteristics are statistically different over time (p < 0.05). There was a decrease in the content of anthocyanins, total polyphenols and sucrose, and an increase in glucose and fructose during fermentation and drying. The analysis of factors allowed to define a series of groupings as indexes of quality according to the chemical and sensory properties analyzed in the drying process. Overall, the mixture of cocoa clones evaluated in the solar drying process presented indicators of sensory and chemical quality associated with descriptions of odor (spicy, dairy, nut, fruity, sweet cane), flavor (floral and spicy), ethereal extract, and pH that indicate a good benefit of cocoa and show the potential that Colombia has as a producer of fine aroma cocoa in high demand in premium markets.

Cell survival regulation during receptor-mediated endocytosis of chemically-modified lipoproteins associated to the formation of an Amphiphysin 2 (Bin1)/c-Myc complex.

Amphiphysin 2 and members of the BAR-domain family of proteins participate in a wide array of cellular processes including cell cycle and endocytosis. Given that amphiphysin 2 is related to diverse cell responses as a result of metabolic stress, we investigated in macrophages whether oxidative stress originated by the internalization of oxidized low density lipoproteins (oxLDL) affect both, the expression of amphiphysin 2 and its binding partner c-Myc. Here we report that under oxidative stress, a complex formation between amphiphysin 2(Bin1) and c-Myc allows the cell to develop a novel survival equilibrium state established between cell proliferation and cell death. We propose that under conditions of oxidative stress given by the internalization of oxLDL, macrophages employ the formation of the amphiphysin 2(Bin1)/c-Myc complex as a control mechanism to initially avoid the process of cell death in an attempt to prolong cell survival.

Melhoramento do processo de extração de polpa de cherimóia (Annona cherimola) a nível industrial e o impacto sob sua qualidade microbiológica e sensorial / Improvement of the process of extraction of cherimoya pulp (Annona cherimola) at industrial level and the impact under its microbiological and sensorial quality

Atualmente no Peru, o processamento para obter a polpa de cherimoia é muito delicado e complexo devido ao fato deste fruto precisar de condições específicas para evitar a sua deterioração durante a fabricação, pois a carga de micro-organismos não pode ser reduzida pela pasteurização por causar sérios problemas nas características sensoriais da polpa. Este trabalho apresenta e avalia oito novos tratamentos para o processo de polpa de cherimoia, com trocas focadas na etapa de descascamento termoquímico, a fim de melhorar sua qualidade microbiológica e manter suas características sensoriais. Os resultados mostraram que todos os tratamentos influenciaram na redução da carga dos micro-organismos indicadores de alteração, enquanto que coliformes totais, E. coli e Salmonella spp. não foram detectados nas amostras avaliadas, assegurando sua inocuidade. Nenhum dos tratamentos influenciou negativamente as características sensoriais, ficando conformes segundo as provas realizadas por um painel treinado e qualificado. Em relação aos processos com pasteurização, que geram alterações indesejáveis do sabor, cor e aroma na polpa de cherimoia, os novos processos com descascamento termoquímico apresentados nesta pesquisa conservaram a qualidade sensorial enquanto que melhoraram a qualidade microbiológica, representado assim boas alternativas na produção deste fruto a nível industrial.(AU)

Comportamento dos micro-organismos indicadores frente ao chapoteo na produção de polpa de camu-camu / Behavior of micro-organisms in the presence of splashes in the production of camu-camu pulp

O Chapoteo é uma nova etapa de processo estabelecida na produção de polpa de camu-camu, com a finalidade de obter um produto com melhor atributo de cor, vitamina C e sabor. Tendo em conta que esta etapa usa calor, os objetivos desta pesquisa foram: conhecer o efeito que tem o Chapoteo a nível industrial sobre a carga de Micro-organismos Indicadores da Alteração (MIA), e comparar essa carga com a obtida no Processo Convencional de Extração Mecânica (PCEM), antes da pasteurização. Os resultados mostraram que após o Chapoteo, todas as contagens para os grupos de micro-organismos avaliados estiveram abaixo de 100 UFC/g, sendo muito inferiores aos valores obtidos no PCEM. O Chapoteo demonstrou que pode reduzir significativamente a contagem de MIA, não sendo necessária a aplicação de uma etapa posterior de tratamento térmico no processamento de polpa de camu-camu.(AU)

Determinación de isotermas de desorción en jamón de cerdo cocido almacenado entre 4°C y 12°C / Desorption isotherms determination in cooked pork ham stored between 4°C and 12°C

Antecedentes: Las isotermas de sorción describen la relación termodinámica entre la actividad de agua (aw) y el contenido de humedad en base seca (g agua / g materia seca), de un producto alimentario a presión y temperatura constante. Estas pueden ser de adsorción o desorción. Su conocimiento es de gran importancia en la industria de alimentos, ya que brindan información apta para la selección del material de empaque, la predicción de la vida útil del producto y la evolución del contenido de humedad durante el tiempo de almacenamiento. Objetivos: Evaluar la relación existente entre la humedad y la aw en un jamón de cerdo cocido mediante el uso de isotermas de desorción a diferentes temperaturas de almacenamiento. Métodos: Para realizar el análisis se evaluaron dos lotes independientes de jamón donde se evaluó su composición fisicoquímica para luego ser almacenados en cámaras de almacenamiento a temperaturas de (4, 8 y 12°C). El proceso utilizado para determinar las curvas isotérmicas de sorción, fue el método recomendado por el proyecto COST 90, en un rango de aw entre 0,123 hasta 0,958 respectivamente. Los datos experimentales se modelaron utilizando cuatro modelos empíricos (Oswin, Caurie, Smith y Henderson) y dos teóricos (Guggenheim Anderson de Boer (GAB) y Brunauer, Emmett y Teller (BET)) comúnmente aplicados en la industria de alimentos. La calidad de ajuste se evaluó con el error medio relativo (%E), la raíz cuadrada del error cuadrático medio (RMSE) y la suma de errores cuadrados (SSE) respectivamente. Los datos se analizaron mediante la aplicación de modelos no lineales usando el método de mínimos cuadrados y se seleccionaron los modelos que presentaron mejores ajustes. Resultados: En relación con la cinética de desorción se observó que los modelos propuestos por GAB, BET y Oswin, tuvieron un mejor ajuste a los datos experimentales a las tres temperaturas de almacenamiento. Conclusión: En el jamón, las isotermas de desorción no presentan dependencia con la temperatura. Las curvas muestran un comportamiento tipo III, debido a la afinidad e interacción existente entre el sistema multicomponente y el agua disponible en el entorno.

Democracia y cultura / Democracy and culture

El libro aborda el tema acerca de la Democracia y cultura en Bolivia, tomando encuenta aspectos tales como: la política cultural boliviana y un diagnóstico cultural de Bolivia

Democracia y cultura / Democracy and culture

El libro aborda el tema acerca de la Democracia y cultura en Bolivia, tomando encuenta aspectos tales como: la política cultural boliviana y un diagnóstico cultural de Bolivia