Theoretical and experimental study of a new thiosulfonate derivative: Methyl trifluoromethanethiosulfonate, CF3SO2SCH3. Conformational transferability in CX3SO2S-R compounds

Methyl trifluoromethanethiosulfonate, CF3SO2SCH3, was synthesized and characterized by 13C NMR, 19F NMR, and vibrational spectroscopy. This structural study was supported by MP2 and DFT (B3LYP and MPW1PW91) calculations, which revealed a strong dependence of the theoretical structure on the polarization of the basis set. Theoretical data indicate that only one conformer, gauche, is predicted by rotating around the S–S bond. This conformational preference was studied using the total energy scheme and natural bond orbital partition scheme. These results evidence that electron delocalization and especially LP S → σ∗ C(1)-S interactions play an interesting role in the reactivity-structure connection of oxoesters and thioesters. Gas and liquid infrared and liquid Raman spectra were recorded and assigned. The experimental vibrational data along with theoretical force constants (B3LYP) were used to define a scaled quantum mechanical force field, which enabled the reproduction of the measured frequencies with a final root-mean-square deviation of 8.06 cm−1.Fil: Galván, Jorge Edgardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Contreras Aguilar, Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; ArgentinaFil: Defonsi Lestard, Maria Eliana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Tuttolomondo, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Ulic, Sonia Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina. Universidad Nacional de Luján. Departamento de Ciencias Básicas; ArgentinaFil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentin

A 3D Visual Interface for Critiquing-based Recommenders: Architecture and Interaction

Nowadays e-commerce websites offer users such a huge amount of products, which far from facilitating the buying process, actually make it more difficult. Hence, recommenders, which learn from users' preferences, are consolidating as valuable instruments to enhance the buying process in the 2D Web. Indeed, 3D virtual environments are an alternative interface for recommenders. They provide the user with an immersive 3D social experience, enabling a richer visualisation and increasing the interaction possibilities with other users and with the recommender. In this paper, we focus on a novel framework to tightly integrate interactive recommendation systems in a 3D virtual environment. Specifically, we propose to integrate a Collaborative Conversational Recommender (CCR) in a 3D social virtual world. Our CCR Framework defines three layers: the user interaction layer (3D Collaborative Space Client), the communication layer (3D Collaborative Space Server), and the recommendation layer (Collaborative Conversational Recommender). Additionally, we evaluate the framework based on several usability criteria such as learnability, perceived efficiency and effectiveness. Results demonstrate that users positively valued the experience

Changes in saliva analytes in dairy cows during peripartum: A pilot study

This pilot study aimed to study the possible changes in a profile of 26 salivary analytes in thirteen healthy dairy cows along their peripartum period. Analytes associated with the stress (salivary cortisol, salivary alpha-amylase, butyrylcholinesterase, and total esterase), inflammation (adenosine deaminase), oxidative status (total antioxidant capacity and the advanced oxidation protein products), and general metabolism (creatine kinase, γ-glutamyl transferase, urea, triglycerides, glucose, and lactate) varied along the sampling times. A positive correlation between the white blood cells counts, and the lipase, Trolox equivalent antioxidant capacity, advanced oxidation protein products, and lactate levels in saliva were observed at the delivery. A linear association between selected salivary analytes at different sampling times and the milk yield after calving was observed. In conclusion, in our experimental conditions, it was observed that the peripartum period in dairy cows can induce changes in salivary analytes. Some of them were associated with inflammatory status and the capacity of milk production after calving

Identification of possible new salivary biomarkers of stress in sheep using a high-resolution quantitative proteomic technique

The aim of this study was to identify biological pathways and proteins differentially expressed in the saliva proteome of sheep after the application of a model of stress, using high-resolution quantitative proteomics. In addition, one of the proteins differently expressed was verified and evaluated as a possible biomarker of stress in this species. Saliva paired samples from eight sheep before and after the application of a model of stress based on shearing were analysed using tandem mass tags (TMT). The TMT analysis allowed for the identification of new stress-related metabolic pathways and revealed 13 proteins, never described in saliva of sheep, that were differentially expressed between before and after the stress. Six of these proteins pertain to four major metabolic pathways affected, namely: canonical glycolysis, oxygen transport, neural nucleus development, and regulation of actin cytoskeleton reorganization. The rest of proteins were unmapped original proteins such as acyl-coenzyme-A-binding protein; complement C3; alpha-2-macroglobulin isoform-X1; type-II small proline-rich protein; lactoferrin; secretoglobin family-1D-member; and keratin, type-II cytoskeletal 6. Of these proteins, based on its biological significance and specific immunoassay availability, lactoferrin was selected for further validation. The immunoassay intra- and inter-assay coefficients of variation were lower than 13%. The method showed good linearity under dilution and recovery, and the detection limit was low enough to detect salivary lactoferrin levels. A significant decrease (P < 0.01) in salivary lactoferrin concentration in the sheep following the application of the model of stress was observed, suggesting that this protein could be a potential salivary biomarker of stress situations in sheep

La imagen y la narrativa como herramientas para el abordaje psicosocial en escenarios de violencia. Departamento de Boyacá

Las narrativas identifican voces que revelan posiciones subjetivas e identifican emergencias psicosociales a partir de los hechos vividos, cabe destacar que la violencia se vivencia en diferentes contextos, ámbitos domésticos, espacios públicos, lugares de trabajo, calles, escuelas, etc. A la luz de esto, todos tenemos la responsabilidad de romper nuestro silencio y no condenar la mente a seguir un proceso de afrontamiento complejo, se debe reconocer la violencia como maltrato psicológico o emocional y maltrato físico. En este trabajo se realiza la compresión del diario vivir del colombiano y como llevan consigo los recuerdos de una masacre del pasado, desencadenando violencia psicológica a consecuencia de las acciones de humillación, control la conducta a través de la intimidación, manipulación, causando daño a la salud mental; este tipo de violencia es la más común, sin embargo, muchas veces no logran identificarla ni aceptarla. También se debe resaltar la violencia física, la cual es identifica en las voces de los relatos como un acto insensato de agresión al ser humano siendo la que más se evidencia en el conflicto armado, en la que buscan demostrar su poderío ante las personas. Podemos determinar que la violencia psicológica es el principal foco identificado dentro de las comunidades, porque es la más real pero sobre todo el abuso sexual. Colombia atraviesa cambios sociales, económicos y políticos de manera que surge la violencia guiados por los nuevos rumbos ideológicos bajo el régimen de violencia que busca poder total de una naciónThe narratives identify voices that reveal subjective positions and identify psychosocial emergencies from the events experienced, it should be noted that violence is experienced in different contexts, domestic environments, public spaces, workplaces, streets, schools, etc. In light of this, we all have the responsibility to break our silence and not condemn the mind to follow a complex coping process, therefore violence must be recognized as psychological or emotional abuse and physical abuse. In this work, the comprehension of the daily life of the Colombian is carried out and how they carry with them the memories of a massacre of the past, unleashing psychological violence as a consequence of the actions of humiliation, control of behavior through intimidation, manipulation, causing damage to the mental health; This type of violence is the most common, however, many times they fail to identify or accept it. On the other hand, physical violence should also be highlighted, which is identified in the voices of the stories as a senseless act of aggression against the human being, being the one that is most evident in the armed conflict, in which they seek to demonstrate their power before the characters We can determine that psychological violence is the main focus identified within the communities, because it is the most real but above all sexual abuse. Colombia through social, economic and political changes so that violence arises guided by the new ideological directions under the regime of violence that seeks total power of a natio

Supervivencia del injerto y pacientes postrasplante renal de un hospital de Yucatán, México

Introducción: El trasplante de órganos es considerado como uno de los mayores avances de la medicina, no solo por recuperar la salud, sino por mejorar la calidad de vida de las personas con enfermedades crónicas o terminales. Objetivo: Identificar la supervivencia del injerto y pacientes sometidos a trasplante renal, así como los factores asociados en un Hospital de Alta Especialidad de Mérida, Yucatán, México. Material y Método: Estudio epidemiológico, observacional, longitudinal y retrospectivo donde se analizó el 100% de los expedientes disponibles de pacientes con trasplante renal, cuyo procedimiento se realizó a partir de enero de 2010 a diciembre de 2018. Resultados: La supervivencia global de los pacientes, fue de 96,7% a 1 año (IC:95%: 0,92-0,99) y 90,7% a 5 años (IC:95%: 0,75-0,97). La administración de terapia inmunosupresora previa al trasplante es un factor independiente de protección frente al desenlace de mortalidad o fallo del injerto (p=0,02). La supervivencia del injerto fue de 79,2% a 1 año (IC:95%: 0,71-0,85), y 41,37% a 5 años (IC:95%: 0,27-0,54). La dislipidemia (p=0,01), la Diabetes Tipo 2 (p=0,09), la isquemia fría (p=0,01), la isquemia caliente (p=0,02), la edad (p=0,03), y el Índice de Masa Corporal (p=0,01) fueron determinantes de la supervivencia del injerto. Conclusiones: La supervivencia del paciente y del injerto son distintas. La administración de inmunosupresor previo al trasplante afecta la supervivencia del paciente; mientras que factores de riesgo cardiovascular y los tiempos de isquemia estuvieron ligados a la supervivencia del injerto

Trisomía parcial 4p por cromosoma 4 recombinante originado por inversión pericéntrica de origen paterno

The partial trisomy 4p, usually originated from translocations between chromosome 4 and other non-homologous chromosomes or pericentric inversion of chromosome 4, causing abnormal chromosome gametes between normal and the inverted one, yielding a recombinant chromosome duplication can carry small ami segments (4p) or the long arm (4q) the latter being non-viable. The phenotypic characteristics of this condition present with severe mental retardation, delayed psychomotor development, craniofacial anomalies, strabismus, musculoskeletal defects, heart defects, cryptorchidism and micropenis. We describe the case of a 1-year 6-month child with delay in psychomotor development and dysmorphic features, having a recombinant 4p duplication of paternal origin. It is the first case of duplication 4p found in our institution due to hereditary, it is necessary to perform counseling to parents and monitoring of the proband for therapeutic and psychological management.La trisomía parcial 4p, suele originarse de translocaciones entre el cromosoma 4 y otros cromosomas no homólogos o por inversión pericéntrica del cromosoma 4, originando gametos anómalos entre el cromosoma normal y el invertido, obteniéndose un cromosoma recombinante que puede portar duplicidad de segmentos del brazo pequeño (4p) o del brazo largo (4q) siendo este último inviable. Las características fenotípicas de esta condición cursan con retardo mental severo, retraso en el desarrollo psicomotor, anomalías craneofaciales, estrabismo, defectos osteomusculares, defectos cardiacos, criptorquidia y micropene. Describimos el caso de un niño de 1 año 6 meses con retardo en el desarrollo psicomotor y rasgos dismórficos, presentando una duplicación 4p recombinante de origen paterno.Es el primer caso de duplicación 4p hallado en nuestra institución y debido al carácter hereditario, es preciso realizar la consejería a los progenitores y seguimiento del propósitos para su manejo terapéutico y psicológico

Changes in saliva proteins in two conditions of compromised welfare in pigs: an experimental induced stress by nose snaring and lameness

The aim of this study was to identify biological pathways and proteins differentially expressed in saliva of pigs in two conditions of compromised welfare: an acute stress consisting of restraint with a nose snare and in pigs with lameness which is a highly frequent problem in the swine industry. For this purpose high-resolution quantitative proteomics based on Tandem Mass Tags labelling was used. As an additional objective, proteins that could be differentially expressed in both situations compared with the healthy pigs was validated. Four proteins showed significant differences in the conditions of compromised welfare, namely: cornulin, the heat shock protein 27 and lactate dehydrogenase (LDH) that showed significant increases, whereas immunoglobulin J chain showed a significant decrease. LDH, which was the protein that showed the highest differences, was selected for validation and clinical evaluation as a diagnostic biomarker. Significant changes in this protein were observed between pigs restrained with a nose snare and pigs with lameness compared with healthy pigs when measured with available commercial assays in a larger population of pigs. In conclusion, this study reports situations of compromised welfare on farm such as acute stress and lameness in pigs, where there are changes in proteins and metabolic pathways in saliva, and describes a series of proteins that could potentially be used as biomarkers for both short term acute stress and longer term chronic stress of lameness. These biomarkers would have the advantage of being measured in saliva by a noninvasive and not stressful collection sampling procedure