Abstract The study aims to investigate the independent association of muscle mass (MM) and bone mineral content (BMC) in the performance of the handgrip strength (HGS) test and whether there is effect modification by sex and age. In 12,491 participants from the ELSA-Brasil we estimated the associations between MM, BMC and HGS using linear regression models. All the analyses were performed for total population, also stratified for sex and age. For total population an interaction term was included between each explanatory variable of interest with sex and age to verify the presence of effect modification. We observed that the higher quintiles of MM and BMC were associated to an increasing in the mean of HGS compared to the first quintile, with greater magnitudes in men compared to women, also adults compared to elderly. When we estimated the independent effect of each exposure of interest, MM showed stronger effect in HGS in women, men and adults then BMC. In conclusion, we observed that higher amounts of MM and BMC are associated with higher HGS, regardless of sociodemographic characteristics, health conditions and lifestyle, with this effect being greater in men and adults.

Resumo O estudo tem como objetivo investigar a associação independente da massa muscular (MM) e conteúdo mineral ósseo (CMO) na realização do teste de força de preensão manual (FPM) e se há modificação do efeito por sexo e idade. Em 12.491 participantes do ELSA-Brasil estimamos as associações entre MM, CMO e FPM usando modelos de regressão linear. Todas as análises foram realizadas para a população total, também estratificada por sexo e idade. Para a população total foi incluído um termo de interação entre cada variável explicativa de interesse com sexo e idade para verificar a presença de modificação de efeito. Observamos que os maiores quintis de MM e BMC estiveram associados a um aumento na média da FPM em relação ao primeiro quintil, com maiores magnitudes em homens em relação a mulheres, também em adultos em relação a idosos. Quando estimamos o efeito independente de cada exposição de interesse, MM mostrou efeito mais forte na FPM em mulheres, homens e adultos do que BMC. Em conclusão, observamos que maiores quantidades de MM e BMC estão associadas a maior FPM, independentemente das características sociodemográficas, condições de saúde e estilo de vida, sendo esse efeito maior em homens e adultos.

Abstract The study aims to investigate the independent association of muscle mass (MM) and bone mineral content (BMC) in the performance of the handgrip strength (HGS) test and whether there is effect modification by sex and age. In 12,491 participants from the ELSA-Brasil we estimated the associations between MM, BMC and HGS using linear regression models. All the analyses were performed for total population, also stratified for sex and age. For total population an interaction term was included between each explanatory variable of interest with sex and age to verify the presence of effect modification. We observed that the higher quintiles of MM and BMC were associated to an increasing in the mean of HGS compared to the first quintile, with greater magnitudes in men compared to women, also adults compared to elderly. When we estimated the independent effect of each exposure of interest, MM showed stronger effect in HGS in women, men and adults then BMC. In conclusion, we observed that higher amounts of MM and BMC are associated with higher HGS, regardless of sociodemographic characteristics, health conditions and lifestyle, with this effect being greater in men and adults.

Resumo O estudo tem como objetivo investigar a associação independente da massa muscular (MM) e conteúdo mineral ósseo (CMO) na realização do teste de força de preensão manual (FPM) e se há modificação do efeito por sexo e idade. Em 12.491 participantes do ELSA-Brasil estimamos as associações entre MM, CMO e FPM usando modelos de regressão linear. Todas as análises foram realizadas para a população total, também estratificada por sexo e idade. Para a população total foi incluído um termo de interação entre cada variável explicativa de interesse com sexo e idade para verificar a presença de modificação de efeito. Observamos que os maiores quintis de MM e BMC estiveram associados a um aumento na média da FPM em relação ao primeiro quintil, com maiores magnitudes em homens em relação a mulheres, também em adultos em relação a idosos. Quando estimamos o efeito independente de cada exposição de interesse, MM mostrou efeito mais forte na FPM em mulheres, homens e adultos do que BMC. Em conclusão, observamos que maiores quantidades de MM e BMC estão associadas a maior FPM, independentemente das características sociodemográficas, condições de saúde e estilo de vida, sendo esse efeito maior em homens e adultos.

The Brazilian Cerrado biome is considered one of the 25 hotspots worldwide that contain bioactive compounds due to its great biodiversity; however, the reduction of its native area over time due to the expansion of urbanization and agribusiness may have compromised knowledge of its biological variety. In this context, knowledge about Cerrado species can contribute to its biodiversity preservation. This study aims to describe the isolation, molecular architecture and theoretical calculations of the compound (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5 ethyl -6-methylheptan-2 yl]-10,13 dimethyl 2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H cyclopenta[a]phenanthren-3 ol, extracted from the Brazilian Cerrado Miconia burchellii plant. The supramolecular arrangement was described by Hirshfeld surface analysis, demonstrating the intermolecular interactions in the crystalline packing. The structure-property relationship shows the electrostatic potential map analysis, which reveals that the oxygen region is susceptible to electrophilic attack, and the frontier molecular orbital confirmed the kinetic stability of this compound. This study represents another step forward in the knowledge of compounds with pharmacological and medicinal properties extracted from the Cerrado.

Resumen: Antecedentes y Objetivos: Castilla elastica es una especie nativa de Mesoamérica asociada a diferentes culturas prehispánicas que utilizaban su látex para fines ceremoniales. Es un árbol emblemático, útil en sistemas agroforestales. Este trabajo tuvo por objetivo evaluar la germinación, crecimiento inicial y morfología de C. elastica. Métodos: Se colectaron semillas de 30 árboles y se sembraron en bandejas de polietileno. El inicio de la germinación se determinó por la emergencia de los epicótilos. Se cuantificó el porcentaje de germinación y se establecieron tres periodos de evaluación del crecimiento cada 45 días. Se evaluaron la longitud de tallo (Lt) y el diámetro de tallo (Db). Se obtuvo la tasa absoluta de crecimiento (TAC) y la tasa relativa de crecimiento (TRC). Adicionalmente, se realizaron pruebas de regresión simple entre Lt y Db y se calculó una regresión asociando la TAC de la Lt con algunas variables climáticas. La evaluación del crecimiento tuvo una duración de 205 días. Resultados clave: Se obtuvo 100% de germinación, el proceso inició a los 12 días. A los 205 días, las plantas alcanzaron una Lt y un Db promedio (±1 DE) de 36.5 cm (±5.27) y 8.2 mm (±0.55), respectivamente. Los tres períodos de evaluación mostraron diferencias estadísticas significativas. De acuerdo con los modelos de regresión, C. elastica crece 0.188 cm día-1 por cada milímetro de incremento en Db. Conclusiones: La utilización de semillas recién cosechadas asegura 100% de la germinación. Se obtuvieron diferentes etapas de desarrollo de la plántula en función del tiempo (205 días). La TRC disminuyó después de la primera evaluación atribuible a la radiación solar. Este trabajo demostró la factibilidad de producir plantas de C. elastica y contar con el requisito mínimo como planta de calidad en cuanto a la Lt y Db promedio.

Abstract: Background and Aims: Castilla elastica is a Mesoamerican native species associated with different Prehispanic cultures that used their latex for ceremonial purposes. It is considered an emblematic tree, useful in agroforestry systems. This work aimed to evaluate the germination, initial growth and morphology of C. elastica. Methods: Seeds from 30 trees were collected and planted in polyethylene trays. The start of the germination was determined by the sprouting of the epicotyls. The percentage of germination was quantified, and three periods of evaluation were established, every 45 days. Stem length (Lt) and basal stem diameter (Db) were evaluated. Absolute (RGA) and relative (RGR) growth rates were also obtained. Additionally, simple regression tests were made, and a regression was calculated associating RGA from Lt against some climatic variables. Growth evaluation of the plants lasted 205 days. Key results: Germination was obtained in 100%, the process initiated at 12 days. At 205 days, plants reached an average (±1 SD) Lt and Db of 36.5 cm (±5.27) and 8.2 mm (±0.55), respectively. The three evaluation periods showed significant statistical differences. According to regression models, C. elastica grows 0.188 cm day-1 for each millimeter of increase in Db. Conclusions: The use of recently harvested seeds guarantees 100% germination. Different stages of development of the seedling depending on the time (205 days) were obtained. The RGR decreased after the first evaluation, being attributable to the solar radiation. This work demonstrated the feasibility of producing C. elastica plants, reaching the minimal required quality standards in terms of its average Lt and Db.

Resumo A qualidade do solo é normalmente determinada pelas suas características físico-químicas sem ter em conta as comunidades bacterianas que desempenham um papel fundamental na decomposição química dos nutrientes das plantas. Neste contexto, o objetivo do estudo foi avaliar a diversidade bacteriana em solos de prados andinos elevados perturbados pelo cultivo de Lepidium meyenii sob diferentes gradientes de utilização (primeira, segunda e terceira utilizações) e desenvolvimento das culturas (pré-semeadura, desenvolvimento do hipocótilo e pós-colheita). A amostragem foi realizada no planalto de Bombón, nos Andes centrais do Peru, durante as estações das chuvas e das águas baixas, pelo método sistemático baseado num padrão específico atribuído em forma geométrica retangular a uma profundidade de 0 - 20 cm. A caracterização das comunidades bacterianas foi realizada através da sequenciação metagenômica do rRNA 16S. Foram relatadas 376 famílias de bactérias, das quais se verificou uma alteração significativa na composição e distribuição bacteriana em relação à pressão de utilização. Não se registaram grandes alterações devido ao desenvolvimento do Lepidium meyenii. As famílias mais sensíveis à utilização de indicadores de pressão e pobreza do solo foram as Verrucomicrobiaceae, Acidobacteraceae e Aakkermansiaceae.

Abstract Soil quality is usually determined by its physical-chemical characteristics without taking into account the bacterial communities that play a fundamental role in the chemical decomposition of plant nutrients. In this context, the objective of the study was to evaluate bacterial diversity in high Andean grassland soils disturbed with Lepidium meyenii cultivation under different gradients of use (first, second and third use) and crop development (pre-sowing, hypocotyl development and post-harvest). The sampling was carried out in the Bombón plateau in the central Andes of Peru, during the rainy and low water seasons, by the systematic method based on a specific pattern assigned in a geometric rectangular shape at a depth of 0 - 20 cm. The characterization of the bacterial communities was carried out through the metagenomic sequencing of the 16S rRNA. 376 families of bacteria were reported, of which it was determined that there was a significant change in bacterial composition and distribution in relation to use pressure. There were no major changes due to the development of Lepidium meyenii. The families most sensitive to use pressure and soil poverty indicators were Verrucomicrobiaceae, Acidobacteraceae and Aakkermansiaceae.

Chalcones are compounds with wide interesting biological activities including Alzheimer’s disease. A comparative study was performed between the chalcones (E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one regarding the influence of benzodioxol group on their molecular conformations. The first chalcone was neutralized with dilute hydrochloric acid, while solid of the second was filtered and recrystallized from ethanol, both on centrosymmetric space group P21/c. Their molecular packing were evaluated by Hirshfeld surfaces, and both frontier molecular orbitals and molecular electrostatic potential (MEP) map were carried out by density functional theory (DFT) calculations. The compounds are stabilized by C–H…O and C–H…p interactions, as observed on MEP map, while the HOMO-LUMO gap indicated the conformational stability. The pharmacophore mapping approach was carried out for the identification of potential target candidates and then, further molecular docking analysis targeting the beta-secretase 1 (BACE-1) protein as a tactic to develop potential AD inhibitors, was performed. The AutoDock Vina score in redocking result for 2OHQ is –7.4 and –7.6 kcal moL-1. Additionally, the docking results for compounds inside the active site of the 2OHQ structure showed that both compounds bound to the BACE-1 active site with AutoDock Vina score of –6.0 kcal moL-1.

Heterocyclic chalcones have been prominent in the scientific community due to various biological activities reported for these compounds. The structural knowledge of heterocyclic chalcones can help in the understanding of their mechanism of action. The Hirshfeld surfaces were used to study the supramolecular arrangement of two conformers present into asymmetric unit of the heterocyclic chalcone (2E)-3-(4-methylphenyl)-1-(pyridin-3-yl)-prop-2-en-1-one on crystalline state. In addition, the linear polarizability (α), the first hyperpolarizability (β||z), and the second hyperpolarizability (γ) of the conformers were calculated to get a better insight on the linear and nonlinear optical behaviors of these structures in presence of solvent medium, as well as their band-gap energies. The Hirshfeld surfaces confirmed the presence of C−H···N, C−H···O and C−H···C interactions in packaging stabilization. Finally, the 2D fingeprint plot was used to the quantification of contacts and indicated that there are both π···π and C−H···π interactions present in the compound.

The structures of two methoxylated chalcones, namely (E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and (E)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, reveal the effect of the inclusion of the methoxyl and ethoxyl substituents of the conformation on methoxy-chalcone. Structural comparative study between two chalcones was done in this work and some effects on geometric parameters, such as planarity and dihedral angles, were described. In addition, intermolecular interactions responsible for crystalline packaging were investigated by Hirshfeld surfaces and the values of those interactions were analysed by comparing experimental and theoretical models. The molecular stability was expressed in terms of softness and hardness, both obtained from frontier molecular orbitals. Finally, there is a good agreement between calculated and experimental infrared spectrum, which allowed the assignment of the normal vibrational modes.

OBJECTIVES: Recent studies have shown a high prevalence of hypovitaminosis D, defined as a serum 25-hydroxyvitamin D level less than 30 ng/ml, in both healthy populations and patients with chronic kidney disease. Patients undergoing kidney transplant are at an increased risk of skin cancer and are advised to avoid sunlight exposure. Therefore, these patients might share two major risk factors for hypovitaminosis D: chronic kidney disease and low sunlight exposure. This paper describes the prevalence and clinical characteristics of hypovitaminosis D among patients undergoing kidney transplant. METHODS: We evaluated 25-hydroxyvitamin D serum levels in a representative sample of patients undergoing kidney transplant. We sought to determine the prevalence of hypovitaminosis D, compare these patients with a control group, and identify factors associated with hypovitaminosis D (e.g., sunlight exposure and dietary habits). RESULTS: Hypovitaminosis D was found in 79% of patients undergoing kidney transplant, and the major associated factor was low sunlight exposure. These patients had higher creatinine and intact parathyroid hormone serum levels, with 25-hydroxyvitamin D being inversely correlated with intact parathyroid hormone serum levels. Compared with the control group, patients undergoing kidney transplant presented a higher prevalence of 25-hydroxyvitamin D deficiency and lower serum calcium, phosphate and albumin but higher creatinine and intact parathyroid hormone levels. CONCLUSIONS: Our results confirmed the high prevalence of hypovitaminosis D in patients undergoing kidney transplant. Therapeutic strategies such as moderate sunlight exposure and vitamin D supplementation should be seriously considered for this population.

In the present study, nasal mucus from patients with leprosy were analyzed by PCR using specific primers for Lsr2 gene of Mycobacterium leprae. The presence of Lsr2 gene in the nasal mucus was detected in 25.80% of patients with paucibacillari leprosy, and 23.07% of contacts. Despite the absence of clinical features in the contact individuals, it was possible to detect the presence of Lsr2 gene in the nasal mucus of these individuals. Therefore, PCR detection of M. leprae targeting Lsr2 gene using nasal mucus samples could contribute to early diagnosis of leprosy.

Os resultados obtidos com a análise química de 41 amostras de ceras de própolis e 9 amostras de ceras de favos de Apis mellifera, coletadas principalmente no Brasil, foram estudados usando Análise de Componentes Principais e Análise Hierárquica de Grupos. Na análise quimiométrica foram consideradas a distribuição de hidrocarbonetos e de resíduos alcoólicos e ácidos de mono-ésteres. O dendrograma obtido revelou afinidades químicas e diferenças que não puderam ser constatadas com a simples inspeção visual dos dados. Nenhuma diferença consistente foi detectada entre ceras de própolis e de favos. Os resultados deste e de outros trabalhos sugerem que hidrocarbonetos, ácidos carboxílicos, álcoois alifáticos e ésteres das ceras de própolis e de favos são produzidos pelas abelhas e, portanto, as diferenças detectadas entre uma e outra região são mais dependentes de fatores genéticos relacionados aos insetos do que da flora local. As amostras analisadas reuniram-se segundo dois grandes agrupamentos, um deles contendo exclusivamente amostras coletadas no Estado de São Paulo. Os resultados são discutidos levando em consideração o fato de que a africanização das abelhas teve início nesse estado, ocorrendo posteriormente a sua irradiação para outras partes do Brasil.

Chemical composition data for 41 samples of propolis waxes and 9 samples of comb waxes of Apis mellifera collected mainly in Brazil were treated using Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA). For chemometrical analysis, the distribution of hydrocarbons and residues of alcohols and carboxylic acids of monoesters were considered. The clustering obtained revealed chemical affinities and differences not previously grasped by simple eye-inspection of the data. No consistent differences were detected between comb and propolis waxes. These and previous results suggest that hydrocarbons, carboxylic acids, aliphatic alcohols and esters from both comb and propolis waxes are bee-produced compounds and, hence, the differences detected between one and another region are dependent on genetic factors related to the insects rather than the local flora. The samples analyzed were split into two main clusters, one of them comprising exclusively material collected in the State of São Paulo. The results are discussed with respect to the africanization of honeybees that first took place in that State and therefrom irradiated to other parts of Brazil.

Objective: Early detection of Mycobacterium tuberculosis susceptibility to two anti tuberculous drugs,rifampin and isoniazid using PCR and conformational electrophoresis. Material and methods: Two amplification assays were implemented for the rpoB and katG genes and susceptibility to antituberculous agents was determined by heteroduplex and SSCP in 31clinical samples obtained from patients with positive smear pulmonar tuberculosis.The phenotypical characterization of susceptibility to antituberculous agents was performed using proportion method. Results: PCR assays detected up to 2,5 pg of M. tuberculosis genomic DNA, no amplifications of DNA of other mycobacteria and common bacteria of buccal flora was performed. The general concordance between the molecular and conventional detection of rifampin and isoniazid susceptibility was 96,7% and 83,9% (p<005) respectively. However, a 100% and 90,9% concordance (p<0,05) for rifampin and isoniazid respectively was found only in patients who received previous treatment. Moreover, this resistance detection system can give results 48 hours after the clinical sample is obtained. Conclusion: These systems showed to be an excellent diagnosis alternative for the early identification of patients infected with drugresistant Mycobacterium tuberculosis. It will potentially allow the use of timely and optimal treatment schemes that may contribute to the control and prevention of multidrug-resistant strains that affect public health in our country.

Objetivo: Detectar tempranamente la susceptibilidad a las drogas antituberculosas rifampicina e isoniacida mediante PCR y electroforesis conformacional. Materiales y métodos: Se implementaron dos ensayos de amplificación de los genes rpoB y katG y mediante Heteroduplex y SSCP se determinó la susceptibilidad antituberculosa de 31 muestras clínicas procedentes de pacientes con diagnóstico de tuberculosis pulmonar baciloscopía positiva. La caracterización fenotípica de la susceptibilidad, se realizó empleando el método de las proporciones. Resultados: Los ensayos de PCR detectaron hasta 2,5 pg de ADN genómico de M. tuberculosis; no amplificando ADN de otras micobacterias y bacterias comunes de la flora bucal. Se encontró una concordancia general entre la detección molecular y convencional de la susceptibilidad a rifampicina e isoniacida de 96,7% y 83,9% (p<0,05), respectivamente. Sin embargo, sólo en pacientes con antecedente de tratamiento se presentó una concordancia del 100% y 90,9% (p<0,05) para rifampicina e isoniacida, respectivamente. Además, este sistema de detección de resistencia puede emitir resultados 48 horas después de la recepción de la muestra clínica. Conclusiones: Estos sistemas se presentan como una excelente alternativa para la identificación temprana de pacientes infectados con bacilos de M. tuberculosis drogoresistentes. Potencialmente, se podrán dirigir óptimos y oportunos esquemas terapéuticos que contribuirán con el control y prevención de la transmisión de cepas multidrogo-resistentes que afectan en gran medida a la salud pública de nuestro país.