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Abstract Samanea tubulosa Benth. it has been widely used in traditional medicine to treat inflammatory processes. The present study aimed to investigate the antinociceptive effect and mechanism of action of the fractions obtained from the Samanea tubulosa pods in mice. The antinociceptive activity was evaluated in formalin, capsaicin and glutamate tests and the. The possible mechanisms of action involved in the antinociceptive effect of the hexane and ethyl acetate fraction in the opioid system, also the the K + ATP channels and the L-arigine pathways of nitric oxide were evaluated. The chemical characterization analysis revealed in the hexane fraction the presence of triterpenes such as lupenone and lupeol. In the glutamate test, the hexane and ethyl acetate fractions showed antinociceptive activity at the dose of 12.5 and 25 mg kg-1. The antinociception produced by the hexane and ethyl acetate fractions was significantly reversed by naloxone, indicating that the fractions act through the opioid pathway. Antinociceptive response of the ethyl acetate fraction was blocked by glibenclamide, indicating that this fraction acts via the K + ATP channels activation. It is concluded that the fractions under study exert antinociceptive activity possibly related to the opioid route and through K+ ATP channels activation.

https://doi.org/10.1590/0001-3765202220210175

Synthesis, Spectroscopic Characterization, DFT Calculations and Preliminary Antifungal Activity of New Piperine Derivatives
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Souza Jr., Joselito S.

; Martins, Evandro P. S.

; Souza, Helivaldo D. S.

; Oliveira, Rafael F. de

; Alves, Francinara S.

; Lima, Edeltrudes O.

; Cordeiro, Laísa V.

; Trindade, Emmely O.

; Lira, Bruno F.

; Rocha, Gerd B.

; Athayde-Filho, Petronio F. de

; Barbosa-Filho, José M.

Journal of the Brazilian Chemical Society

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mar 2021, Volume 32 N. 3 Pages 490 - 502

Abstract: En | Text: En | PDF: En

Four new piperine derivatives, PC1-PC4, were synthesized, and their structures were fully characterized by infrared (IR) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopies. Quantum chemical calculations were performed using density functional theory (DFT) with the B3LYP-D3/6-31G(d,p) and 6-311+G(2d,p) basis sets. Electronic properties, such as the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) and some global chemical reactivity descriptors, were evaluated to study the reactivity and stability of the compounds. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method and compared with experimental values. In addition, the compounds were evaluated in an antifungal study against Candida, Trichophyton and Microsporum strains, and only PC4 showed 70% inhibition in ten tested strains, with a minimum inhibitory concentration (MIC) ranging from 1.23-2.46 μmol mL-1 and a minimum fungicide concentration (MFC) ranging from 9.84-19.68 μmol mL-1, and presented a fungistatic effect.

https://doi.org/10.21577/0103-5053.20200203 189 downloads

Influence of creep feeder position on the behavior and performance of preweaning piglets and sows in a hot climate environment
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OLIVEIRA, EWERSON S.

; NASCIMENTO, ELAINE L.L.

; LIMA, HELLEN K.S.

; NEVES, JACQUELINE S.

; DAMASCENO, JAMILLY G.

; SILVA, JULIANA C.

; OLIVEIRA, NATÁLIA C.

; NASCIMENTO, PEDRO H.

; OLIVEIRA, RAFAEL A.

; ARAÚJO, VITOR O.

; VIEIRA, MARIA F.A.

; MONTEIRO, BRUNO M.

; SCHINCKEL, ALLAN P.

; GARBOSSA, CESAR A.P.

Anais da Academia Brasileira de Ciências

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2021, Volume 93 N. 3 elocation e20200248

Abstract: En | Text: En | PDF: En

Abstract The use of creep feeding for preweaning piglets is important to improve the performance of the piglets. The objective of this experiment was evaluate the effect of using or altering the position of piglet’s creep feeder during lactation on piglet’s performance and on behavior of piglets and sows kept in a hot climate environment. Forty-five sows and their litters at 10 days of lactation were randomly distributed into three treatments: front feeder (FF) - near the side of the sow’s head; back feeder (BF) - near the side of the rump of the sow; and no feeder (NF). All piglets were weighed individually to evaluate the average weight, weight gain and coefficient of variation of the weight. Behavior assessments of the piglets and sows were recorded in 3 period. At 15 and 21 d, piglets of the FF treatment were heavier (P ≤ 0.0001) than piglets of the other treatments. At 10-21d piglets of FF treatment had 76.2% less belly nosing behavior than the NF piglets (P=0.015). The treatments had no impact on behavior of the sows. The creep feeders positioned in the front of the farrowing crate increased piglet growth rate and decreased frequency of belly nosing behavior.

https://doi.org/10.1590/0001-3765202120200248 368 downloads

Genetic diversity assessment for the vulnerable migratory cownose ray Rhinoptera bonasus (Myliobatiformes: Rhinopteridae) from the southwestern Atlantic Ocean
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Souza, Bruno C.

; Cruz, Vanessa P.

; Almeida, Talita R. A.

; Sales, João Bráullio L.

; Rodrigues-Filho, Luís Fernando S.

; Vianna, Marcelo

; Rotundo, Matheus M.

; Oliveira, Claudio

; Foresti, Fausto

Neotropical Ichthyology

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2021, Volume 19 N. 4 elocation e210077

Abstract: Pt En | Text: Pt En | PDF: Pt | PDF: En

RESUMO Rhinoptera bonasus é uma espécie bento-pelágica e altamente migratória, que ocorre do sul dos Estados Unidos ao norte da Argentina. Devido aos efeitos da sobrepesca, R. bonasus está atualmente em risco, classificada pela Lista Vermelha da IUCN como vulnerável. Considerando a falta de dados moleculares disponíveis para R. bonasus, este estudo teve como objetivo descrever a variabilidade genética e estrutura populacional de espécimes amostrados em três ecorregiões do litoral brasileiro (Ecorregião Amazônica, Pará; Ecorregião Nordeste, Pernambuco e Ecorregião Sudeste, Rio de Janeiro, São Paulo e Santa Catarina), por meio de cinco marcadores microssatélites polimórficos. Assim, testaremos as hipóteses de panmixia e filopatria natal. Um total de 69 espécimes analisados revelou diferenciação genética individual e significativa entre os locais amostrados. As análises de Φ ST (0,12), PCA, DAPC e Bayesiana revelaram pelo menos dois agrupamentos genéticos distintos de R. bonasus. Os testes de IBD foram significativos, indicando uma correlação entre a distância genética e geográfica entre as populações, o que pode ser explicado pelo comportamento filopátrico reprodutivo. O comportamento filopátrico associado à mobilidade de R. bonasus pode influenciar os valores de diferenciação observados para todos os loci nas amostras investigadas.

ABSTRACT Rhinoptera bonasus is a bento-pelagic and highly migratory species occurring from southern United States to northern Argentina. Due to overfishing effects, R. bonasus is currently at risk, classified by the IUCN Red List as vulnerable. Considering the lack of molecular data available for R. bonasus, this study aimed to describe the genetic variability and population structure of specimens sampled from three Brazilian coast ecoregions (Amazon ecoregion, Pará; Northeastern ecoregion, Pernambuco and Southeastern ecoregion, Rio de Janeiro, São Paulo and Santa Catarina), through five polymorphic microsatellite markers. Here testing the panmixia hypothesis for Brazilian ecoregions and test natal philopathy. A total of 69 analyzed specimens revealed individual and significant genetic differentiation between the sampled locations. Φ ST (0.12), PCA, DAPC and Bayesian analyses of the genetic population structure revealed at least two distinct genetic R. bonasus groupings. IBD tests were significant, indicating a correlation between genetic and geographical distance among populations, which can be explained by reproductive philopatric behavior. Philopatric behavior associated with R. bonasus mobility may influence the differentiation values observed for all loci in the investigated samples.

https://doi.org/10.1590/1982-0224-2021-0077

Use and misuse of biomarkers and the role of D-dimer and C-reactive protein in the management of COVID-19: A post-hoc analysis of a prospective cohort study
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Gonçalves, Fabio Augusto Rodrigues

; Besen, Bruno Adler Maccagnan Pinheiro

; Lima, Clarice Antunes de

; Corá, Aline Pivetta

; Pereira, Antônio José Rodrigues

; Perazzio, Sandro Félix

; Gouvea, Christiane Pereira

; Fonseca, Luiz Augusto Marcondes

; Trindade, Evelinda Marramon

; Sumita, Nairo Massakazu

; Duarte, Alberto José da Silva

; Lichtenstein, Arnaldo

; Bonfa, Eloisa

; Utiyama, Edivaldo M.

; Segurado, Aluisio C.

; Perondi, Beatriz

; Miethke-Morais, Anna

; Montal, Amanda C.

; Harima, Leila

; Fusco, Solange R. G.

; Silva, Marjorie F.

; Rocha, Marcelo C.

; Marcilio, Izabel

; Rios, Izabel Cristina

; Kawano, Fabiane Yumi Ogihara

; Jesus, Maria Amélia de

; Kallas, Ésper George

; Carmo, Carolina

; Tanaka, Clarice

; Souza, Heraldo Possolo de

; Marchini, Julio F. M.

; Carvalho, Carlos

; Ferreira, Juliana C.

; Levin, Anna Sara Shafferman

; Oliveira, Maura Salaroli

; Guimarães, Thaís

; Lázari, Carolina dos Santos

; Sabino, Ester

; Magri, Marcello M. C.

; Barros-Filho, Tarcisio E. P.

; Francisco, Maria Cristina Peres Braido

; Costa, Silvia F.

Clinics

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2021, Volume 76 elocation e3547

Abstract: En | Text: En | PDF: En

OBJECTIVE: Coronavirus disease 2019 (COVID-19) is associated with high mortality among hospitalized patients and incurs high costs. Severe acute respiratory syndrome coronavirus 2 infection can trigger both inflammatory and thrombotic processes, and these complications can lead to a poorer prognosis. This study aimed to evaluate the association and temporal trends of D-dimer and C-reactive protein (CRP) levels with the incidence of venous thromboembolism (VTE), hospital mortality, and costs among inpatients with COVID-19. METHODS: Data were extracted from electronic patient records and laboratory databases. Crude and adjusted associations for age, sex, number of comorbidities, Sequential Organ Failure Assessment score at admission, and D-dimer or CRP logistic regression models were used to evaluate associations. RESULTS: Between March and June 2020, COVID-19 was documented in 3,254 inpatients. The D-dimer level ≥4,000 ng/mL fibrinogen equivalent unit (FEU) mortality odds ratio (OR) was 4.48 (adjusted OR: 1.97). The CRP level ≥220 mg/dL OR for death was 7.73 (adjusted OR: 3.93). The D-dimer level ≥4,000 ng/mL FEU VTE OR was 3.96 (adjusted OR: 3.26). The CRP level ≥220 mg/dL OR for VTE was 2.71 (adjusted OR: 1.92). All these analyses were statistically significant (p<0.001). Stratified hospital costs demonstrated a dose-response pattern. Adjusted D-dimer and CRP levels were associated with higher mortality and doubled hospital costs. In the first week, elevated D-dimer levels predicted VTE occurrence and systemic inflammatory harm, while CRP was a hospital mortality predictor. CONCLUSION: D-dimer and CRP levels were associated with higher hospital mortality and a higher incidence of VTE. D-dimer was more strongly associated with VTE, although its discriminative ability was poor, while CRP was a stronger predictor of hospital mortality. Their use outside the usual indications should not be modified and should be discouraged.

https://doi.org/10.6061/clinics/2021/e3547

Transcriptomic analysis reveals that mTOR pathway can be modulated in macrophage cells by the presence of cryptococcal cells
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Piffer, Alícia C.

; Santos, Francine M. dos

; Thomé, Marcos P.

; Diehl, Camila

; Garcia, Ane Wichine Acosta

; Kinskovski, Uriel Perin

; Schneider, Rafael de Oliveira

; Gerber, Alexandra

; Feltes, Bruno César

; Schrank, Augusto

; Vasconcelos, Ana Tereza R.

; Lenz, Guido

; Kmetzsch, Lívia

; Vainstein, Marilene H.

; Staats, Charley C.

Genetics and Molecular Biology

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2021, Volume 44 N. 3 elocation e20200390

Abstract: En | Text: En | PDF: En

Abstract Cryptococcus neoformans and Cryptococcus gattii are the etiological agents of cryptococcosis, a high mortality disease. The development of such disease depends on the interaction of fungal cells with macrophages, in which they can reside and replicate. In order to dissect the molecular mechanisms by which cryptococcal cells modulate the activity of macrophages, a genome-scale comparative analysis of transcriptional changes in macrophages exposed to Cryptococcus spp. was conducted. Altered expression of nearly 40 genes was detected in macrophages exposed to cryptococcal cells. The major processes were associated with the mTOR pathway, whose associated genes exhibited decreased expression in macrophages incubated with cryptococcal cells. Phosphorylation of p70S6K and GSK-3β was also decreased in macrophages incubated with fungal cells. In this way, Cryptococci presence could drive the modulation of mTOR pathway in macrophages possibly to increase the survival of the pathogen.

https://doi.org/10.1590/1678-4685-gmb-2020-0390 4 downloads

Genetic diversity in two threatened species of guitarfish (Elasmobranchii: Rhinobatidae) from the Brazilian and Argentinian coasts: an alert for conservation
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Cruz, Vanessa P.

; Adachi, Aisni M.C. L.

; Oliveira, Pablo H.

; Ribeiro, Giovana S.

; Paim, Fabilene G.

; Souza, Bruno C.

; Rodrigues, Alexandre S.F.

; Vianna, Marcelo

; Delpiani, Sergio M.

; Díaz de Astarloa, Juan Martín

; Rotundo, Matheus M.

; Mendonça, Fernando F.

; Oliveira, Claudio

; Lessa, Rosangela P.

; Foresti, Fausto

Neotropical Ichthyology

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2021, Volume 19 N. 2 elocation e210012

Abstract: Pt En | Text: Pt En | PDF: Pt | PDF: En

Resumo As raias violas Pseudobatos horkelii e Pseudobatos percellens, são listados como “Criticamente em Perigo” (CR) e “Em Perigo” (EN), respectivamente. Ambas as espécies ocorrem no Sul do Oceano Atlântico. Considerando a falta de dados sobre a estrutura genética dessas espécies, o presente estudo avaliou a variabilidade genética e a estrutura populacional de P. horkelii e P. percellens na região sudeste do Brasil e litoral norte da Argentina, com base em sequências de DNA mitocondrial, região de controle (D-loop). Amostras de 135 indivíduos de P. horkelii analisados em seis localidades, situadas no norte da Argentina e ao longo da costa dos estados brasileiros. A média da diversidade nucleotídica foi de 0.0053, o índice ΦST foi de 0.4277 e a análise demográfica de P. horkelii, indicou a existência de estabilidade das populações, com D = 0.9929, Fus = 2.0155, SSD = 0.0817, R = 0.2153. Em 101 exemplares de P. percellens, foram analisados em seis localidades brasileiras ao longo do litoral de Santa Catarina, Paraná e São Paulo. A diversidade nucleotídica média foi de 0.0014 e o valor ΦST de 0.2921, a análise demográfica indicou uma alta taxa de migração de P. percellens entre as localidades analisadas, com D = 0.5222, FS = 0.3528, SSD = 0.01785, R = 0.3890.

Abstract The guitarfishes Pseudobatos horkelii and Pseudobatos percellens meet the criteria for threatened status as Critically Endangered (CR) and Endangered (EN), respectively. Both species occur in the Southern Atlantic Ocean. Considering the lack of data on the genetic structure of these species, the present study evaluated the genetic variability and population structure of the P. horkelii and P. percellens in the southern region of Brazil and the northern coast of Argentina, based on sequences of mitochondrial DNA, Control Region (D-loop). Samples of P. horkelii (n = 135) were analyzed in six localities situated in Northern Argentina, along the Brazilian states’ coast. The mean of nucleotide diversity was 0.0053, the ΦST was 0.4277 and demographic analysis of P. horkelii suggests the existence of stability of the populations, with D = 0.9929, FS = 2.0155, SSD = 0.0817, R = 0.2153. In P. percellens (n = 101) were analyzed from six Brazilian localities along the coast of Santa Catarina, Paraná, and São Paulo. The mean nucleotide diversity was 0.0014 and ΦST value of 0.2921, the demographic analysis indicates a high migration rate of P. percellens among the localities evaluated, with D = 0.5222, FS = 0.3528, SSD = 0.01785, R = 0.3890.

https://doi.org/10.1590/1982-0224-2021-0012 156 downloads

Cross-cultural adaptation and validation of the universal Portuguese-version of the Pediatric Functional Assessment of Chronic Illness Therapy - Fatigue (pedsFACIT-F)
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Fernandes, Karla P.

; Teixeira, Bruno S.

; Arnold, Benjamin J.

; Mendonça, Tânia M. da S.

; Oliveira, Sthela M.

; Silva, Carlos Henrique M. da

Jornal de Pediatria

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aug 2020, Volume 96 N. 4 Pages 456 - 463

Abstract: Pt En | Text: Pt En | PDF: Pt | PDF: En

Resumo Objetivo: Adaptar transculturalmente e validar a versão portuguesa universal da escala Avaliação Funcional Pediátrica de Terapia de Doença Crônica - Fadiga (pedsFACIT-F). Método: A versão traduzida para o português universal e adaptada transculturalmente da escala pedsFACIT-F foi validada em 323 crianças (entre 8 e 18 anos), 173 saudáveis e 150 com doenças crônicas (câncer, artrite idiopática juvenil e diabetes). A confiabilidade foi avaliada pela consistência interna e confiabilidade teste-reteste. Os pressupostos do modelo da teoria da resposta ao item foram avaliados por meio da análise fatorial confirmatória e exploratória. Os itens foram calibrados segundo modelo de resposta gradual. O funcionamento diferencial do item foi examinado com respeito à idade, ao gênero e à condição de saúde (saudáveis versus doenças crônicas). Resultados: A adaptação cultural não apresentou dificuldades substantivas. A confiabilidade da consistência interna (alfa-Cronbach = 0,84) e do teste-reteste (correlação intraclasse = 0,92) foram adequadas. As análises da AFC (CFI = 0,92, TLI = 0,90, RMSEA = 0,097) e AFE confirmaram suficiente unidimensionalidade. O estudo de calibração demostrou bom ajuste do MRG e boa cobertura do construto fadiga (variação dos limiares das categorias de resposta: -1,42 a 4,56). Não foi verificada presença de funcionamento diferencial do item significante. Conclusão: A versão portuguesa universal da escala pedsFACIT-F é uma medida confiável, precisa e válida, verificada após análises de propriedades psicométricas robustas. A estabilidade das propriedades de medida da escala permite seu uso para avaliação de fadiga em estudos clínicos com crianças e adolescentes em países lusófonos.

Abstract Objective: To cross-culturally adapt and validate the universal Portuguese version of the Pediatric Functional Assessment of Chronic Illness Therapy - Fatigue (pedsFACIT-F). Method: The universal Portuguese version of the pedsFACIT-F was cross-culturally adapted and validated in 323 children and adolescents aged 8-18 years, 173 healthy individuals, and 150 with chronic diseases (cancer, juvenile idiopathic arthritis, and diabetes). Reliability (internal consistency and test-retest reliability) was assessed. Item response theory model assumptions were evaluated using confirmatory and exploratory factor analyses. Items were calibrated using a graded response model. Differential item functioning was assessed regarding age, gender, and clinical condition (healthy vs. chronic diseases). Results: No major cultural adaptations were needed. Internal consistency (Cronbach's alpha = 0.84) and test-retest reliability (intraclass correlation coefficient = 0.92) were good. CFA (CFI = 0.92, TLI = 0.90, RMSEA = 0.097) and CFE analysis confirmed sufficient unidimensionality. The data also fit the GRM and demonstrated good coverage of the fatigue construct (threshold parameters range: -1.42 to 4.56). No items demonstrated significant differential item functioning. Conclusion: The universal Portuguese version of the pedsFACIT-F provides a reliable, precise, and valid measure after being assessed by robust psychometric properties. Stability of the measurement properties of the pedsFACIT-F scale allows its use to assess fatigue in clinical research in Portuguese-speaking children and adolescents.

https://doi.org/10.1016/j.jped.2019.01.003 573 downloads

Chitosan Nanoparticles Loaded with Carvacrol and Carvacryl Acetate for Improved Anthelmintic Activity
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André, Weibson P. P.

; Paiva Jr., José R.

; Cavalcante, Géssica S.

; Ribeiro, Wesley L. C.

; Araújo Filho, José V. de

; Cavalcanti, Bruno C.

; Morais, Selene M. de

; Oliveira, Lorena M. B. de

; Bevilaqua, Claudia M. L.

; Abreu, Flávia O. M. S.

Journal of the Brazilian Chemical Society

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aug 2020, Volume 31 N. 8 Pages 1614 - 1622

Abstract: En | Text: En | PDF: En

Carvacrol (CV) and carvacryl acetate (CVA) are bioactive compounds that have anthelmintic action and the nanoencapsulation may be an alternative to potentialize their efficacy. The aim of this work was to nanoencapsulate CV and CVA using chitosan/gums and evaluate cytotoxicity and the anthelmintic activity. A 24 factorial experimental design was performed to determine the influence of gum type (arabic or chichá), amount of surfactant and the number of layers in the nanoencapsulation degree. CVA and CV presented encapsulation efficiency (EE) optimum values of 90 and 20% (experiments 8 and 9), respectively. The monolayer and bilayer formulations presented maximum size of 479 and 811 nm, respectively. Nanoencapsulated CVA (nCVA) with bilayer coating and higher surfactant levels showed good thermal stability and no toxicity. In vitro kinetics for nCVA with chitosan/chichá gum showed slower release profiles than nCVA with chitosan/gum arabic, with 50% release after 30 and 20 h, respectively. CVA and nCVA at a concentration of 150 µg mL−1 reduced the motility of H. contortus adult nematodes by 100 and 91.7%, respectively. In summary, nCVA chitosan/chichá gum showed high encapsulation efficiency, favorable release rate and anthelmintic activity against H. contortus.

https://doi.org/10.21577/0103-5053.20200047 382 downloads

10.

Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives
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Soares, João Victor B.

; Valverde, Clodoaldo

; Silva, André D. da

; Luz, Bruno V.

; dos Santos, Daniel Junior A.

; Carvalho, Elisa G. B.

; Oliveira, Yara Cecilia M.

; Napolitano, Hamilton B.

; Baseia, Basilio

; Osório, Francisco A. P.

Revista Colombiana de Química

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apr 2020, Volume 49 N. 1 Pages 33 - 39

Abstract: Es En Pt | Text: Es En Pt | PDF: Es | PDF: En | PDF: Pt

Resumen El uso de materiales orgánicos como materiales ópticos no lineales se ha explorado intensamente en los últimos años, debido a la facilidad de manipulación de estas estructuras moleculares y la flexibilidad de síntesis en relación con el cambio de grupos sustituyentes. En el presente trabajo, las propiedades lineales y no lineales de dos derivados de chalcona (E)-1-(4-metilfenil)-3-fenilprop-2-en-1-ona (4MP3P) y (E)-1-(4-nitrofenil)-3-fenilprop-2-en-1-ona (4NP3P), los cuales difieren en la posición del sustituyente en el anillo de fenilo, se estudiaron en presencia de disolventes próticos y apróticos simulados por el Modelo Continuo Polarizable a nivel DFT/B3LYP/6-311+G(d). Además, se estudiaron parámetros moleculares estáticos y dinámicos (1064 nm) como el momento dipolar, la polarización lineal y la primera y la segunda hiperpolarización en función del valor constante dieléctrico del disolvente. El comportamiento geométrico se estudió como ángulos de enlace químico, ángulos de torsión y distribución de carga parcial de compuestos, incluidos los cálculos de energía de huecos en varios solventes. Los resultados mostraron que el cambio del sustituyente CH3 (4MP3P) a NO2 (4NP3P) beneficia las propiedades ópticas no lineales de los compuestos en presencia del medio solvente, los valores absolutos de la primera hiperpolarizabilidad paralela fueron los que presentaron la mayor variación.

Abstract The use of organic as nonlinear optical materials has been intensively explored in the recent years due to the ease of manipulation of the molecular structure and the synthetic flexibility regarding the change of substituent groups. In the present work, the linear and nonlinear properties of two chalcones derivatives (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one (4MP3P) and (E)-1-(4-Nitrophenyl)-3-phenylprop-2-en-1-one (4NP3P), that differ by the substituent position at the phenyl ring, were studied in the presence of protic and aprotic solvents simulated by the Polarizable Continuum Model (PCM) at DFT/B3LYP/6-311+G(d) level. The static and dynamic (1064 nm) molecular parameters as the dipole moment, linear polarizability, first and second hyperpolarizabilities were studied as function of the solvent dielectric constant value. The geometrical behavior as the chemical bond angles, torsion angles, and partial charges distribution of the compounds were studied, including calculations of gap energies in various solvents. The obtained results revealed that the substituent change of CH3 (4MP3P) to NO2 (4NP3P) benefits the nonlinear optical properties of the compounds in the presence of the solvent media, the absolute values of the parallel first hyperpolarizability were the ones that present the greater variation.

Resumo O uso de materiais orgânicos como materiais ópticos não lineares tem sido intensamente explorado nos últimos anos, devido à facilidade de manipulação dessas estruturas moleculares e à flexibilidade de síntese em relação à mudança de grupos substituintes. No presente trabalho, as propriedades lineares e não lineares de dois derivados de chalconas (E)-1-(4-metilfenil)-3-fenilprop-2-en-1-ona (4MP3P) e (E)-1-(4-nitrofenil)-3-fenilprop-2-en-1-ona (4NP3P), que diferem pela posição do substituinte no anel fenil, foram estudados na presença de solventes próticos e apróticos simulados pelo Modelo Continuo Polarizável (PCM) no nível DFT/B3LYP/6-311+G(d). Os parâmetros moleculares estáticos e dinâmicos (1064 nm) como momento dipolar, polarizabilidade linear, primeira e segunda hiperpolarizabilidades foram estudados em função do valor da constante dielétrica do solvente. Estudou-se o comportamento geométrico como ângulos de ligação química, ângulos de torção e distribuição parcial de cargas dos compostos, incluindo cálculos de energias de gap em vários solventes. Os resultados obtidos revelaram que a mudança do substituinte de CH3 (4MP3P) para NO2 (4NP3P) beneficia as propriedades ópticas não lineares dos compostos na presença do meio solvente, os valores absolutos da primeira hiperpolarizabilidade paralela foram os que apresentaram a maior variação.

https://doi.org/10.15446/rev.colomb.quim.v1n49.82156 401 downloads

11.

Antiproliferative effect of guava fruit extracts in MDA-MB-435 and MCF-7 human breast cancer cell lines
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CORREA, MARIANA G.

; COUTO, JESSICA S.

; TRINDADE, BRUNO B.

; ABREU, JOEL P.

; NAKAJIMA, VANIA M.

; OLIVEIRA, FELIPE L.

; FARAH, ADRIANA

; TEODORO, ANDERSON J.

Anais da Academia Brasileira de Ciências

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2020, Volume 92 N. 2 elocation e20191500

Abstract: En | Text: En | PDF: En

Abstract Breast cancer is the most frequent and lethal neoplastic disease among women worldwide. Psidium Guajava is a promising functional food against cancer, owing to a variety of bioactive compounds. This study aimed to evaluate the anticarcinogenic potential of Pedro Sato (PS), Hitigio (HI) and Tsumori (TS) guava cultivars fruit pulp extracts in MDA-MB-435 and MCF-7 human breast cancer cells. The antioxidant capacity of the extracts and their effect on cell viability, cell cycle and apoptosis were assessed. Additionally, the concentration of carotenoids, total phenolics, ascorbic acid and other physicochemical parameters were evaluated. PS pulp extract showed the highest in vitro antioxidative activity by all tested methods, as well as the highest content of lycopene and total phenolics, while TS pulp extract presented the highest concentration of β-carotene. After 48 hours treatment, all guava cultivars’ extracts caused reduction of MDA-MB-435 and MCF-7 cells viability, with PS and HI being the most effective extracts. All guava extracts caused MDA-MB-435 and MCF-7 cell count reduction in G0/G1 and G2/M phases and increased apoptosis. The present results strongly suggest that guava pulp exerts antiproliferative effect on breast adenocarcinoma cells.

https://doi.org/10.1590/0001-3765202020191500 914 downloads

12.

Acute effects of ayahuasca in a juvenile non-human primate model of depression
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da Silva, Flávia S.

; Silva, Erick A.S.

; Sousa Jr., Geovan M. de

; Maia-de-Oliveira, João P.

; Soares-Rachetti, Vanessa de Paula

; de Araujo, Draulio B.

; Sousa, Maria B.C.

; Lobão-Soares, Bruno

; Hallak, Jaime

; Galvão-Coelho, Nicole L.

Brazilian Journal of Psychiatry

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aug 2019, Volume 41 N. 4 Pages 280 - 288

Abstract: En | Text: En | PDF: En

Objective: The incidence rate of major depression in adolescents reaches approximately 14%. This disorder is usually recurrent, without remission of symptoms even after pharmacological treatment, and persists throughout adult life. Since the effects of antidepressants take approximately 2 weeks to begin, new pharmacological therapies are under continuous exploration. Recent evidence suggests that psychedelics could produce rapid antidepressant effects. In this study, we evaluated the potential antidepressant effects of ayahuasca in a juvenile non-human primate model of depression. Methods: While living with their families, juvenile marmosets (8 males; 7 females) were observed on alternate days for four weeks during a baseline phase. This was followed by 8 weeks of an induced depressive state protocol, the social isolated context (IC), in which the animals were monitored in the first and last weeks. Subsequently, five males and four females were randomly selected for treatment, first with a single administration of saline vehicle (1.67 mL/300 g of body weight, via gavage), followed by a single dose of ayahuasca (1.67 mL/300 g of body weight, via gavage). Both phases lasted 1 week and the animals were monitored daily. A third week of sampling was called the tardive-pharmacological effects phase. In all phases the marmosets were assessed for behavior, fecal cortisol levels, and body weight. Results: After IC, the animals presented typical hypocortisolemia, but cortisol recovered to baseline levels 24 h after an acute dose of ayahuasca; this recovery was not observed in vehicle-treated animals. Additionally, in males, ayahuasca, but not the vehicle, reduced scratching, a stereotypic behavior, and increased feeding. Ayahuasca treatment also improved body weight to baseline levels in both sexes. The ayahuasca-induced behavioral response had long-term effects (14 days). Thus, in this translational juvenile animal model of depression, ayahuasca presented beneficial effects. Conclusions: These results can contribute to the validation of ayahuasca as an antidepressant drug and encourage new studies on psychedelic drugs as a tool for treating mood disorders, including for adolescents with early-onset depression.

https://doi.org/10.1590/1516-4446-2018-0140 1646 downloads

13.

Isospora machadoae sp. nov. (Protozoa: Apicomplexa: Eimeriidae), a new coccidian species from white-necked thrushes Turdus albicolis (Passeriformes: Turdidae) of South America
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Pinho, Irlane F. de

; Silva, Lidiane M. da

; Rodrigues, Mariana B.

; Lopes, Bruno do B.

; Oliveira, Mariana S.

; Luz, Hermes R.

; Ferreira, Ildemar

; Lopes, Carlos Wilson G.

; Berto, Bruno P.

Zoologia (Curitiba)

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2018, Volume 35 elocation e24570

Abstract: En | Text: En | PDF: En

ABSTRACT A new coccidian species parasitizing white-necked thrushes Turdus albicollis Vieillot, 1818 is described from the Parque Nacional do Itatiaia, in Southeastern Brazil. Isospora machadoae sp. nov. has oocysts that are sub-spherical, 22.2 × 21.2 µm, with bilayered wall, ~1.3 μm thick. Outer layer is rough with micropyle and micropyle cap. Oocyst residuum is absent, but one or two polar granules are present. Sporocysts are ellipsoidal, 13.3 × 9.7 µm. The Stieda body is flattened to half-moon-shaped and substieda body rounded. Sporocyst residuum is present, composed of scattered spherules of different sizes. Sporozoites are vermiform with a refractile body and a nucleus. These parasitized thrushes had no apparent clinical signs of coccidiosis or high densities of oocysts in feces. This condition may be associated with a specific low pathogenicity of I. machadoae sp. nov. and/or with the conserved habitat of these birds, which ensures the ecological niches and thus the immunocompetence to wildlife.

https://doi.org/10.3897/zoologia.35.e24570 1616 downloads

14.

Hematological and biochemical characteristics during the transport of dog snapper Lutjanus jocu (Perciformes: Lutjanidae)
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Oliveira, Bruno L.

; Souza, Rodrigo M.

; Silva Filho, Jorge P.

; Gomes, Levy C.

; Fernandes, Luiz F. Loureiro

Neotropical Ichthyology

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2018, Volume 16 N. 1 elocation e170140

Abstract: Pt En | Text: Pt En | PDF: Pt | PDF: En

RESUMO O objetivo desde estudo foi avaliar as repostas de estresse em dentão (Lutjanus jocu) durante o procedimento de transporte, através de respostas hematológicas e bioquímicas. Vinte e cinco exemplares selvagens de dentão foram utilizados no experimento (220 ± 68 g e 24.5 ± 2.5 cm de comprimento total). Foram realizadas coletas de sangue previamente ao transporte (controle), e os demais peixes foram acondicionados em duas caixas de transporte, uma com anestésico e outra sem anestésico. Imediatamente após o transporte e após 24 h, houve coleta de sangue para cada tratamento (com anestésico e sem anestésico). Os resultados bioquímicos e hematológicos apontam a ineficiência da benzocaína como mitigador do estresse durante o manuseio e transporte. Os parâmetros bioquímicos foram capazes de detectar o efeito do estresse durante o transporte, e após 24 h os níveis de glicose e alguns parâmetros hematológicos (hemoglobina, eritrócitos, leucócitos, neutrófilos e MCH) demonstraram uma tendência de retorno aos níveis do controle. Este trabalho é o primeiro a informar os níveis de resposta basal e de estresse para indicadores hematológicos e bioquímicos em dentão, representando uma base importante para o planejamento de futuras experiências com transporte e manejo dessa espécie.

ABSTRACT The objective of this study was to evaluate stress responses in dog snapper (Lutjanus jocu) during transport by evaluating their hematological and biochemical responses. Twenty-five wild dog snapper specimens were used in the experiment (220 ± 68 g and 24.5 ± 2.5 cm total length). Blood samples were collected prior to transport (control), and fish were placed in two transport boxes, one with anesthetic and one without anesthetic. Immediately after transport and after 24 h, blood was collected from the fish that underwent each treatment (with anesthetic and without anesthetic). Biochemical and hematological results demonstrated the inefficiency of benzocaine as a stress reliever during handling and transport. Biochemical parameters revealed the effects of stress during transport, and after 24 h, glucose levels and hematological parameters (hemoglobin, erythrocytes, leukocytes, neutrophils and MCH) showed a tendency to return to control levels. This study is the first to report stress response measurements of hematological and biochemical indicators in dog snapper, representing an important basis for the planning of future experiments involving the transport and handling of this fish species.

https://doi.org/10.1590/1982-0224-20170140 1238 downloads

15.

Metabolic Control in Patients With Phenylketonuria Pre- and Post-Sapropterin Loading Test
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Barbosa, Catarina Sousa

; Almeida, Manuela F.

; Sousa, Cátia

; Rocha, Sara

; Guimas, Arlindo

; Ribeiro, Rosa

; Martins, Esmeralda

; Bandeira, Anabela

; Oliveira, Bruno M. P. M.

; Borges, Nuno

; MacDonald, Anita

; Rocha, Júlio C.

Journal of Inborn Errors of Metabolism and Screening

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2018, Volume 6 elocation e170028

Abstract: En | Text: En | PDF: En

Abstract In Portugal, tetrahydrobiopterin (BH4)-responsive patients with phenylketonuria (PKU) are identified using a loading test (LT). Phenylalanine/natural protein (Phe/NP) intake is increased to elevate blood Phe prior to the LT. In a longitudinal retrospective study, the impact of Phe/NP titration post-LT in 58 patients (19.6 + 8.2 years) with PKU during 4 study periods (SPs) was examined. In SP1 (2010-2013), patients were diet treated only; in SP2 (2014), the Phe/NP titration was followed by the LT in SP3 (2015). In SP4 (2016), patients received diet treatment only (n ¼ 49) or BH4 þdiet (n ¼ 9). The median percentage blood Phe within the target range was higher in SP1 versus SP4 (64 [28-85] vs 45 [0-66]; P < .001). Our results suggest that transient Phe/NP titration, associated with a deliberate increase in NP, may adversely affect metabolic control. Controlled studies are necessary to examine the longer term impact of temporary increased NP with BH4 LT in non-BH4-responsive patients.

https://doi.org/10.1177/2326409818788898 641 downloads

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