The chemical-mineralogical characterization of rupestrian paintings in red, white, black and yellow colors, which decorate the rocky walls from the archaeological sites of Ema and Furna dos Índios (Inhuma, Piauí, Brazil) was performed. The chemical analyses were performed in situ by the non-invasive analytical technique X-ray fluorescence spectrometry (XRF) as well as in laboratory using a non-destructive approach, without previous sample preparation, and Raman microscopy, and scanning electron microscopy coupled with energy dispersive spectroscopy (SEM-EDS) techniques. The results, when together, allowed unequivocal identification of the main substances responsible for the color pigments, namely, hematite (red pigment), gypsum (white pigment), amorphous carbon from charcoal (black pigment) and goethite (yellow pigment).

Abstract During the last quarter of 2019, the beaches, mangroves, and estuaries of Northeast Brazil received an unprecedented volume of crude oil from the sea, which became the worst environmental disaster ever to reach the Brazilian coast. The oil, having reached the shores completely unnoticed, left both society and government agents completely clueless on (i) where the oil was coming from; (ii) how much oil was still in the ocean to reach the shorelines; and (iii) which beaches were going to be affected next! By exploring remote sensing data and ocean numerical modeling, along with oil dispersion chemistry on sea water, this study investigates the possible origin and path of the spill and whether it could have been detected from space. The oil dispersion modeling simulations performed for this investigation revealed a possible region and timing of the oil spill, also indicating the likelihood of it being advected toward the shoreline under the ocean surface.

Resumo Guabiju (Myrcianthes pungens), pertencente à família Myrtaceae, com ampla ocorrência no Rio Grande do Sul (RS), apresenta grande potencial para exploração de seus frutos no consumo in natura, com sabor adocicado, podendo compor bebidas, geleias e sorvetes, além de possuir propriedades nutracêuticas. As ferrugens, como característica principal, apresentam a formação de pústulas alaranjadas contendo urediniósporos do patógeno sobre os órgãos afetados. A ação do patógeno causa deformação dos órgãos: caules, folhas, flores e frutos, interferindo, assim, nos processos fisiológicos da planta. Assim, o presente trabalho teve como objetivo apresentar informações sobre a ocorrência, confirmação do agente causal da ferrugem do guabijuzeiro, além de relatar os acessos mais suscetíveis e resistentes a Austropuccinia na coleção de trabalho de guabijuzeiros em Eldorado do Sul-RS. A diagnose da doença foi realizada com base nos sintomas, na observação das estruturas fúngicas por microscopia óptica e por análises moleculares. A partir da microscopia, observaram-se urediniósporos elipsoides a ovoides e levemente equinulados, característicos de Austropuccinia sp. A sequência da região internal transcribed spacer(ITS) do isolado apresentou 99,06% de similaridade com sequências da mesma região da espécie A. psidii depositadas no banco de dados nucleotídeos - GenBank (NCBI). Este é o primeiro relato de ferrugem associada a guabijuzeiros no Estado do Rio Grande do Sul, Brasil. A partir da escala diagramática desenvolvida, foi possível identificar diferentes níveis de suscetibilidade a A. psidii nos acessos de guabijuzeiros avaliados.

Abstract Guabiju tree (Myrcianthes pungens) belongs to the Myrtaceae family, with wide occurrence in Rio Grande do Sul (RS), southern Brazil, demonstrates great commercial potential regarding the consumption of its fresh fruit, which has a sweet taste and can be used in drinks, jellies and ice creams, in addition to its nutraceutical properties. As their main characteristic, rusts present the formation of orange pustules containing urediniospores of the pathogen on affected organs. The action of the pathogen causes deformation of stems, leaves, flowers and fruits, thus interfer-ing with the physiological processes of the plant. Thus, the present work aimed at presenting information on the occurrence and confirmation of the causal agent of guabiju rust, in addition to reporting the accessions most susceptible and resistant to Austropuccinia in the guabiju working collection of Eldorado do Sul, RS, Brazil. The diagnosis of the disease was based on symptoms, observation of fungal structures by light microscopy and molecular analyses. From microscopy, ellipsoid to ovoid and slightly equinulate urediniospores were observed, characteristic of Austropuccinia sp. The sequence of the internal transcribed spacer (ITS) region of the isolate showed 99.06% similarity with sequences from the same region of A. psidii deposited on the nucleotide database - GenBank (NCBI). This is the first report of rust associated with guabiju in the state of Rio Grande do Sul, Brazil. From the diagrammatic scale developed, it was possible to identify different levels of susceptibility to A. psidii in guabiju accessions under study.

ABSTRACT Background: Necrotizing fasciitis is an infection that develops rapidly, affecting the skin, subcutaneous cellular tissue, superficial fascia and sometimes deep fascia, in surgical wounds by producing hystenotic necrosis and severe systemic toxicity. It is a supplementary systemic affectation, which in turn is associated with endogenous predisposing factors such as: diabetes mellitus, obesity, alcoholism, HIV infection, and exogenous: gynecobstetric surgery, injections, traumatisms; so these patients are critical patients in intensive care units, with a non-uniform clinical progression, leading to a fulminant evolution when parallel to the hyperacute or fulminant variant. Objective: To describe the presence of hyperacute necrotizing fasciitis caused by Enterococcus gallinarum in a puerperal. Case report: A puerperal who suffered from dystocia delivery by elective cesarean section at 38.3 weeks, at 24 h presented general manifestations accompanied by skin lesions; she underwent gynecobstetric surgery, her evolution was torpid and she died of multiorgan failure after 3 days due to the consequences of hyperacute or fulminant necrotizing fasciitis, caused by Enterococcus gallinarum. Conclusions: Necrotizing fasciitis is a rare and fatal disease if not treated in time; its diagnosis is difficult in its early phase because it is often clinical. Surgical treatment should be urgent and combined with systemic antibiotic therapy due to the causative germ and the toxicity they produce.

RESUMEN Fundamento: La fascitis necrotizante es una infección que se desarrolla de manera rápida, afecta la piel, tejido celular subcutáneo, fascia superficial y en ocasiones la profunda, en heridas quirúrgicas al producir necrosis hística y severa toxicidad sistémica. Es una afectación sistémica acompañante, que a su vez a ella se asocian factores predisponentes endógenos como: diabetes mellitus, obesidad, alcoholismo, infección por VIH, y exógenos: cirugía ginecobstétrica, inyecciones, traumatismos; por lo que estos pacientes resultan ser enfermos críticos en las unidades de cuidados intensivos, con un curso clínico no uniforme, al llevar a una evolución fulminante cuando corresponde con la variante hiperaguda o fulminante. Objetivo: Describir la presencia de fascitis necrotizante hiperaguda causada por Enterococcus gallinarum, en una puérpera. Reporte de caso: Puérpera que se le practicó parto distócico por cesárea electiva a las 38.3 semanas, a las 24 h presentó manifestaciones generales que se acompañaron de lesiones en la piel; se le realizó cirugía ginecobstétrica, su evolución fue tórpida y falleció por fallo multiorgánico a los 3 días debido a las consecuencias de fascitis necrotizante hiperaguda o fulminante, causada esta por un Enterococcus gallinarum. Conclusiones: La fascitis necrotizante es una enfermedad poco frecuente y mortal si no se trata a tiempo; su diagnóstico resulta difícil en su fase inicial, debido a que casi siempre es clínico. El tratamiento quirúrgico debe ser urgente, combinarse este con antibióticoterapia sistémica, debido al germen causal y la toxicidad que producen.

A series of drugs was investigated to determine structural, electronic and pharmacological properties, as well as the molecular affinity for the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The drugs were submitted to density functional theory calculations to optimize structures and predict binding preferences. The optimized geometries were used in molecular docking simulations. In the docking study, the receiver was considered rigid and the drugs flexible. The Lamarckian genetic algorithm with global search and Pseudo-Solis and Wets with local search were adopted for docking. Absorption, distribution, metabolism, excretion and toxicological properties were obtained from the Pre-ADMET online server. In this series, the antiviral atazanavir showed the potential to inhibit the main protease of SARS-CoV-2, based on the free binding energy, inhibition constant, binding interactions and its favorable pharmacological properties. Therefore, we recommend carrying out further studies with in vitro tests and subsequent clinical tests to analyze its effectiveness in the treatment of SARS-CoV-2.

RESUMEN Las características de la anatomía de la hoja proporcionan evidencias importantes sobre la transición entre las vías C3 y C4. La fotosíntesis C4 surgió para reducir la tasa de fotorrespiración C3, concentrando el CO2 alrededor del sitio de la Rubisco y utilizando estructuras y maquinaria ya presentes en las plantas C3. En monocotiledóneas, se observa un alto número de linajes C4, la mayoría de ellas filogenéticamente relacionadas con grupos C3. El género C3 Apochloa, que pertenece a la subtribu Arthropogoninae, está relacionado con dos géneros C4 Coleataenia and Cyphonanthus. En este contexto, el objetivo fue evaluar cuatro especies de Apochloa para establecer las características anatómicas relacionadas con la evolución de la via C4 en este grupo. Se colectaron hojas completamente expandidas de A. euprepes, A. lorea, A. molinioides y A. poliophylla y se determinaron las características de las células del mesófilo (M) y del haz de la vaina (HV) a partir de secciones transversales de la hoja. Las especies presentaron una anatomía rústica de Kranz con células HV agrandadas y de distribución radial, con pocas organelas organizadas en posición centrífuga. Aunque las modificaciones de las células HV están probablemente relacionadas con el mantenimiento del estado hídrico de la planta, se puede inferir que facilitan el establecimiento de la fotosíntesis en los géneros C4 relacionados.

ABSTRACT Leaf anatomy characteristics provide important evidences about the transition between C3 and C4 pathways. The C4 photosynthesis pathway allowed to reduce the C3 photorespiratory rate, concentrating CO2 around the Rubisco site and using structures and machinery already presented in C3 plants. In monocots, it is observed a high number of C4 lineages, most of them phylogenetically related to C3 groups. The genus Apochloa (C3), subtribe Arthropogoninae, is related to two C4 genera Coleataenia and Cyphonanthus. The aim of this study was to evaluate four Apochloa species in order to establish anatomical characteristics related to the evolution of C4 pathway in this group. By means of transverse sections fully expanded leaves of A. euprepes, A. lorea, A. molinioides, and A. poliophylla were collected and the characteristics of the mesophyll (M) and bundle sheath (BS) cells were determined. These species showed a rustic Kranz anatomy with enlarged and radial arranged BS cells, which have few organelles organized in a centrifugal position. Although the modifications of BS cells are probably related to the maintenance of plant water status, we also discuss the evolution for the establishment of C4 photosynthesis in the related C4 genera.

Abstract Two experiments were conducted in order to evaluate the effect of dietary inclusion of guava extract on laying performance and lipid stability of egg of Japanese quails. For the first experiment, 384 Japanese quails with 42 days old were distributed in a completely randomized design with four treatments (0.0; 3.0; 6.0; 9.0 g.kg-1 guava extract), 6 replicates, and 16 birds/replicate. The experimental period lasted 84 days, divided into 4 cycles of 21 days. The parameters evaluated were: feed consumption, egg production, egg mass, feed conversion ratio, egg weight, and egg internal and external qualities. On the second experiment, 400 eggs from Japanese quails fed with diets containing four levels of guava extract were distributed in a completely randomized design with a 4x4 factorial arrangement (guava extract levels and storage time: 0, 9, 18, 27 days) with 5 replicates. Analysis of thiobarbituric acid reactive substances was performed on egg yolks. Data were submitted to regression analysis, using α=0.05. On the first experiment, the laying performance parameters were not influenced by the inclusion of guava extract in the feed, and eggshell thickness decreased linearly. On the second experiment an interaction was observed between the studied factors, affecting lipid oxidation in egg yolks. At nine days of storage, there was a quadratic effect of levels of dietary guava extract on lipid oxidation of yolk, being observed that using 4.8 g.kg-1 of guava extract on feed results in less lipid oxidation.

Resumo Informações sobre padrões fenológicos das plantas ajudam a entender a estrutura e o funcionamento dos ecossistemas e apóiam projetos de restauração em áreas degradadas. O objetivo deste estudo foi caracterizar a fenologia reprodutiva em indivíduos de Avicennia germinans e Laguncularia racemosa em uma floresta de mangue no estuário do rio Mamanguape, Nordeste do Brasil. O registro foi realizado mensalmente de Julho 2016 a Junho 2017. Aplicamos estatística circular para detectar tendências sazonais, calculamos a sincronia intra-específica e realizamos regressões entre fenofases e variáveis abióticas. Avicennia germinans exibiu respostas sazonais para botões florais, flores em antese e frutos, com um episódio reprodutivo por ano (padrão anual). Laguncularia racemosa não mostrou resposta sazonal, com um episódio por ano para botões florais (padrão anual) e dois episódios para flores em antese e frutos (padrão subanual). As fenofases reprodutivas de A. germinans apresentaram maior sincronia intra-específica do que L. racemosa. Fornecemos evidências de que a temperatura, a radiação solar e a precipitação são fatores importantes para o ritmo da floração em ambas as espécies. Em conclusão, os resultados deste estudo mostraram que as espécies exibiram diferentes respostas fenológicas, mesmo estando submetidas às mesmas condições abióticas.

Abstract Information on plant phenological patterns aids in understanding the structure and functioning of ecosystems and support restoration projects in degraded areas. The aim of this study was to characterize the reproductive phenology of Avicennia germinans and Laguncularia racemosa in a mangrove forest in the Mamanguape River estuary in northeastern Brazil. The characterization was performed monthly from July 2016 to June 2017. We applied circular statistics to detect seasonal trends, calculated intra-specific synchrony, and performed regressions between the reproductive phenophases and the abiotic variables. Avicennia germinans exhibits seasonal responses to floral buds, flowers at anthesis, and fruit, with one reproductive episode per year (annual pattern). Laguncularia racemosa has no seasonal response, with one reproductive episode per year for floral buds (annual pattern) and two episodes for flowers at anthesis and fruits (subannual pattern). Reproductive phenophases of A. germinans exhibited higher intra-specific synchrony than L. racemosa. We provide evidence that temperature, solar radiation and rainfall are important drivers of the flowering rhythm in both species. In conclusion, the results of this study showed that the species exhibited different phenological responses, even though they were subjected to the same abiotic conditions.

Abstract Herbicides are agrochemicals applied in the control of weeds. With the frequent and repetitive use of these substances, serious problems have been reported. Compounds of natural origin and their derivatives are attractive options to obtain new compounds with herbicidal properties. By aiming to develop compounds with potentiated herbicidal activity, phenoxyacetic acids were synthesized from eugenol and guaiacol. The synthesized compounds were characterized and the herbicidal potential of phenoxyacetic acids and precursors was evaluated through bioassays regarding the germination and initial development of Lactuca sativa and Sorghum bicolor seedlings, with the induction of DNA damage. The induction of changes in the mitotic cycle of meristematic cells of roots of L. sativa was also analyzed. At the concentration of 3 mmol L-1, phenols and their respective phenoxyacetic acids presented phytotoxic and cytotoxic activities in L. sativa and S. bicolor. Eugenol and guaiacol also presented genotoxic action in L. sativa. The toxic effect of eugenoxyacetic acid was more pronounced in L. sativa than in S. bicolor, similar to the commercial 2,4-D herbicide. Molecular properties of the phenols and their derivatives phenoxyacetic acids were compared with the ones obtained for the herbicide 2,4-D, where it was found a correlation between their molecular properties and bioactivity.

ABSTRACT Background: Intestinal invagination as a cause of abdominal pain is an infrequent reason for consultation in adulthood. An organic injury is the cause in 90 % of cases. They can be malignant or benign lesions, and among the latter, lipomas of the small intestine are mentioned. Objective: To present the case of a patient with intestinal invagination secondary to a mesenchymal polyp. Case presentation: A 47-year-old female patient with a history of recurrent abdominal pain towards the right iliac fossa and intermittent changes in bowel habit. In the imaging studies, an invagination of the small intestine was diagnosed which was corroborated in the surgical act and by pathological anatomy that reported a mesenchymal polyp (fibrolipoma) as the cause. Conclusion: Intestinal invagination, although infrequent, may be the form of presentation of recurrent abdominal pain in adults.

RESUMEN Fundamento: La invaginación intestinal como causa de dolor abdominal es un motivo infrecuente de consulta en la edad adulta. Una lesión orgánica es la causante en el 90 % de los casos. Pueden ser lesiones malignas o benignas, y entre estas últimas se mencionan los lipomas de intestino delgado. Objetivo: Presentar el caso de una paciente con invaginación intestinal secundaria a pólipo mesenquimatoso. Presentación del caso: Paciente femenina de 47 años de edad, con antecedentes de dolor abdominal recurrente hacia fosa ilíaca derecha y cambios intermitentes en el hábito intestinal. En los estudios de imagen realizados se le diagnosticó una invaginación de intestino delgado, la cual se corroboró en el acto quirúrgico y mediante anatomía patológica que informó un pólipo mesenquimatoso (fibrolipoma) como causante. Conclusiones: La invaginación intestinal, aunque infrecuente, puede ser la forma de presentación de dolor abdominal recurrente en el adulto.

We reported experimental and theoretical investigation of conformers of 1,2,3-triazole derivatives, substances of exclusively synthetic origin, subject of extensive studies, because of several biological properties, such as antiviral, antimicrobial and antileishmaniasis. We reported molecular/supramolecular X-ray structures of antiophidian compounds I and II. For I and II there are two crystallographic different molecules in the unit cell (A and B). To explore the causes of the similarities in the compound’s crystal structures, intermolecular interactions were explored using the Hirshfeld surface as the fingerprint plots. In addition, density functional theory (DFT) calculations were carried out at the ωB97x-D/6-31G(d,p)-PCM-CHCl3 level aiming to contribute to the interpretation of the experimental data and complement the experimental findings. Two structures named 2A and 5B were found in good agreement with the respective X-ray solid state ones (A and B). Theoretical 1H nuclear magnetic resonance (NMR) spectra calculated for 5B rotated structure (torsion angles deviation around 40° to 90°) was in fine agreement with experimental results (in CDCl3) indicating that the solution molecular structure is considerably different from optimized equilibrium geometries and solid-state structure. Therefore, care is needed when using X-ray structures or DFT geometries to model interaction of drugs with biological targets since significant conformational changes may take place in solution.

The Z-E isomerization of γ-alkylidenebutenolide analogues to natural nostoclides and other natural butenolides was investigated using 1H nuclear magnetic resonance (NMR) and high performance liquid chromatography (HPLC) data as well as density functional theory (DFT) calculations at the wB97x-D/6-31G(d,p) level, including solvent effects with the polarizable continuum solvation approach. The experimental data supported the Z to E isomerization of γ-alkylidenebutenolides under acid catalysis. Newly prepared samples have predominantly Z configuration, which partially isomerizes to the E isomer under acidic conditions. Density functional theory studies corroborate the experimental findings. While neutral γ-alkylidenebutenolides are more stable in the Z form, protonation of the γ-lactone carbonyl group results in preferential stabilization of the E isomer.

The amorphous, mesoporous SiO2-SO3H catalyst with a surface area of 115 m2 g-1 and 1.32 mmol H+ per g was very efficient for the protonation of ketones on a 10% (m/m) basis, and the catalyst-bound intermediates can be trapped by polyalcohols to produce ketals in high yields or suffer aldol condensations within minutes under low-power microwave irradiation. The same catalyst can easily reverse the ketalization reaction.

In this study, we investigated the chemical compositions and antioxidant and antimicrobial activities of propolis produced by the stingless bee Frieseomelitta longipes and the honeybee Apis mellifera collected from colonies in North Brazil. In terms of volatile composition, both mono- and sesquiterpenes were detected in the propolis of F. longipes while only sesquiterpenes were detected in that of A. mellifera. Out of 50 volatiles identified in all samples, 26 were found exclusively in F. longipes propolis and 8 were found exclusively in A. mellifera propolis. The chemical profiles of the propolis extracts were determined by atmospheric pressure chemical ionization-mass spectrometry and liquid chromatography-electrospray ionization-tandem mass spectrometry allowed to identify several prenylated benzophenones. A. mellifera extracts exhibited major antioxidant activity as assessed by the 2,2-diphenyl-1-picrylhydrazyl method and all extracts exhibited antioxidant activity as assessed by the β-carotene/linoleic acid method. The ethanolic extracts of the propolis showed promisor activity against all tested microorganisms.

RESUMO A cultura de tecidos é aplicada como alternativa de produção de mudas sadias, vigorosas, uniformes e em larga escala. O objetivo deste estudo foi avaliar o meio de cultura mais eficiente para a germinação e desenvolvimento in vitro de plântulas de três espécies de Orchidaceae. Sementes desinfestadas das três espécies foram colocadas em água destilada e gotejadas em meio de cultura básico de Murashige and Skoog (MS). O desenho experimental foi completamente ao acaso em um fatorial 3 × 4 (três espécies x quatro meios de cultura) com cinco repetições. Constituído de quatro tratamentos, sendo: (1) meio MS com concentração total de nutrientes (MSØ), (2) meio MS com concentração total de nutrientes acrescido de 0,3% de carvão ativado (MSØ C.A), (3) meio MS com metade das concentrações de nutrientes (½ MS) e (4) meio MS com metade das concentrações de nutrientes, acrescido de 0,3 % de carvão ativado (½ MS C.A). A avaliação da germinação foi realizada aos 15, 20, 25, 30 e 60 dias. Foram mensuradas altura da parte aérea, número e comprimento das folhas e número e comprimento de raízes de plântulas das três espécies estudadas. Em A. variegata verificou-se uma germinação de 73% aos 60 dias em meio ½ MS C.A. E. viviparum e S. gloriosa obtiveram 100 % de germinação para o mesmo período, em meio MSØ C.A. A altura da planta, número e comprimento de folhas, número e comprimento de raízes foram significativamente maiores para as espécies A. variegata e E. viviparum meio MSØ C.A. S. gloriosa obteve os menores índices de desenvolvimento de plântulas, para todas as características analisadas, independente do meio analisado. O meio de cultura ½ MS and MSØ com adição de carvão ativado favoreceu a germinação in vitro para as três espécies de orquídeas estudadas.

ABSTRACT Tissue culture is an alternative form of producing healthy, vigorous and regular plants on a large scale. The purpose of this study was to evaluate the most efficient culture medium for in vitro plantlet germination and development of three Orchidaceae species. Seeds disinfested of three species were dispersed in distilled water and dripped into basic Murashige and Skoog (MS) medium. The experimental design was completely randomized in a factorial 3 × 4 (three species x four culture media), with 5 replications. Four treatments were established: (1) full-strength MS medium, with the full nutrient concentration (MSØ), (2) full-strength MS medium plus 0.3% activated charcoal (MSØ ACh), (3) half-strength MS medium (½ MS) and (4) half-strength MS medium with 0.3 % activated charcoal (½ MS ACh). Germination was evaluated after 15, 20, 25, 30, and 60 days. The shoot height, leaf number and length, root number and length of plantlets of the three studied species were assessed. In A. variegata, 73% germinated after 60 days in ½ MS ACh medium. In the same period, 100% of E. viparum and S. gloriosa seeds germinated in MSØ ACh medium. The plant height, leaf number and length, root number and length were significantly higher for the species A. variegata and E. viviparum in MSØ ACh medium. The culture media ½ MS and MSØ with addition of activated charcoal favored in vitro germination for the three orchid species of this study.