Abstract Onychomycosis is the most common disease affecting the nail unit and accounts for at least 50% of all nail diseases. In addition, Candida albicans is responsible for approximately 70% of onychomycoses caused by yeasts. This study investigated the antifungal effect of (R) and (S)-citronellal enantiomers, as well as its predictive mechanism of action on C. albicans from voriconazole-resistant onychomycoses. For this purpose, in vitro broth microdilution and molecular docking techniques were applied in a predictive and complementary manner to the mechanisms of action. The main results of this study indicate that C. albicans was resistant to voriconazole and sensitive to the enantiomers (R) and (S)-citronellal at a dose of 256 and 32 µg/mL respectively. In addition, there was an increase in the minimum inhibitory concentration (MIC) of the enantiomers in the presence of sorbitol and ergosterol, indicating that these molecules possibly affect the integrity of the cell wall and cell membrane of C. albicans. Molecular docking with key biosynthesis proteins and maintenance of the fungal cell wall and plasma membrane demonstrated the possibility of (R) and (S)-citronellal interacting with two important enzymes: 1,3-β-glucan synthase and lanosterol 14α-demethylase. Therefore, the findings of this study indicate that the (R) and (S)-citronellal enantiomers are fungicidal on C. albicans from onychomycoses and probably these substances cause damage to the cell wall and cell membrane of these micro-organisms possibly by interacting with enzymes in the biosynthesis of these fungal structures.

Resumo A onicomicose é a doença mais comum que afeta a unidade ungueal e representa pelo menos 50% de todas as doenças ungueais. Além disso, a Candida albicans é responsável por aproximadamente 70% das onicomicoses causadas por leveduras. Nesse estudo, foi investigado o efeito antifúngico dos enantiômeros (R) e (S)-citronelal, bem como seu mecanismo de ação preditivo sobre C. albicans de onicomicoses resistentes ao voriconazol. Para este propósito, foram aplicadas técnicas in vitro de microdiluição em caldo e docking molecular de forma preditiva e complementar para os mecanismos de ação. Os principais resultados deste estudo indicam que C. albicans foi resistente ao voriconazol e sensível aos enantiômeros (R) e (S)-citronelal na dose de 256 e 32 µg/mL respectivamente. Além disso, houve aumento da concentração inibitória mínima (CIM) dos enantiômeros na presença do sorbitol e do ergosterol, indicando que estas moléculas possivelmente afetem a integridade da parede e da membrana celular de C. albicans. O docking molecular com proteínas chave da biossíntese e manutenção da parede celular e da membrana plasmática fúngica, demonstraram a possibilidade do (R) e (S)-citronelal interagir com duas importantes enzimas: 1,3-β-glucan sintase e lanosterol 14α-demetilase. Portanto, os achados desse estudo indicam que os enantiômeros (R) e (S)-citronelal são fungicidas sobre C. albicans de onicomicoses e provavelmente essas substâncias causem danos a parede e a membrana celular desses microrganismos possivelmente por interagir com as enzimas da biossíntese destas estruturas fúngicas.

The dielectric barrier discharge ionization detector (BID) is one of the most modern detectors commercially available for gas chromatography (GC). Its technology based on the sample ionization through the energy released from the helium plasma generation process gives it the ability to act as a universal detector and a greater response to various types of compounds compared to the well-established flame ionization detector (FID). In this study, polycyclic aromatic hydrocarbons (PAHs), organophosphates (OPPs) and organochlorines pesticides (OCPs) were investigated. The parameters that could explain the performance of the BID and FID detectors were: structural factors, ionization energy (IE) and energy of the highest occupied molecular orbital (EHOMO), which were obtained by density functional theory (DFT). The relative (BID/FID) responses to PAHs and pesticides were about 1.8 and 3.0 times greater than FID, respectively. Less structural dependence of the BID signal compared to the FID signal was observed. Among the parameters calculated by DFT, the IE was the one that most seemed to have influenced the response of the two detectors studied. The theoretical data proved to be quite consistent to explain the trends observed experimentally, especially to the BID.

Salacia crassifolia traditionally known as “Bacupari-do-Cerrado” is used to treat kidney problems, and as a healing agent for coughs and malaria. The phytochemical study of the S. crassifolia roots led to the isolation of thirteen compounds: abruslactone-A (1), urs-12-ene-3β,25,30-triol (2), carioprystimerin (3), β-sitosterol (4), pristimerin (5), dispermoquinone (6), netzahualcoyonol (7), 20-hydroxy-20-epi-tingenone (8), 6-oxo-pristimerol (9), 9β,10β-epoxi-3β-hydroxy-1βH,4βH,5βH,7βH,11αH-guaian-12,8β-olide (10), 3-O-b-D-glucosyl-b-sitosterol (11), 4`-O-methylepigalocatechin (12) and cerebroside (13). The chemical structures of 1-13 were determined by IR, 1D/2D NMR together with X-ray diffractometry. Compounds 2 and 10 are herein described for the first time. Extracts of S. crassifolia and compounds 3, 5, 8 and 9 were evaluated on acetylcholinesterase inhibition, in vitro cytotoxic activity and in vivo toxicity tests using Caenorhabditis elegans model. All tested compounds inhibited acetylcholinesterase, and compounds 3, 8 and 9 demonstrated a greater potential when compared to the standard eserine. The tested compounds showed low cytotoxicity against the THP-1, K562 and MDA-MB-231 cancer cell lines. None of the tested compounds and extracts were toxic against C. elegans since the larvae survival rate in L1 stage was higher than 90%.

Resumo Objetivo: Produzir uma versão do questionário Pediatric Quality of Life InventoryTM 3.0 Diabetes Module (PedsQLTM 3.0 Diabetes Module) para a língua portuguesa do Brasil, que fosse conceitualmente equivalente à versão original em inglês, e proceder à sua validação linguística numa população pediátrica brasileira portadora de diabetes mellitus tipo 1 (DM1) e seus pais ou cuidadores. Métodos: A tradução do instrumento foi feita pela metodologia de tradução-tradução reversa, foi aplicado a 83 crianças/adolescentes (5-18 anos) portadores de diabetes mellitus tipo 1 com seus parentes e a 25 pais/cuidadores de pacientes entre 2 e 4 anos de idade. A confiabilidade da versão traduzida foi avaliada pelas seguintes análises: consistência interna, confiabilidade teste-reteste e validade concorrente. Resultados: O coeficiente alfa de Cronbach para a pontuação total do questionário das crianças/adolescentes (α = 0,85) e seus pais (α = 0,82) excedeu o mínimo recomendado 0,70 para comparação entre grupos. Na confiabilidade intraobservador e validade concorrente observou-se correlação positiva e estatisticamente significativa (p < 0,001), indicou a fidedignidade do instrumento traduzido. Na comparação entre os escores totais obtidos por pais/cuidadores e crianças/adolescentes, houve uma correlação positiva, pequena, mas significativa (r = 0,40; p < 0,001). Não houve correlações estatisticamente significativas entre os níveis de hemoglobina glicada e os escores obtidos nos questionários respondidos pelos pacientes e seus pais/cuidadores. Conclusão: As análises do instrumento PedsQLTM 3.0 Módulo Diabetes demonstraram propriedades psicométricas adequadas em termos de confiabilidade e validade quando aplicado nessa amostra de crianças/adolescentes brasileiros portadores de DM tipo 1 e seus cuidadores.

Abstract Objective: The aim of the present study was to create a translated version of the Pediatric Quality of Life InventoryTM 3.0 Diabetes Module (PedsQLTM 3.0 Diabetes Module) in Brazilian Portuguese that was conceptually equivalent to the original American English version and to linguistically validate it in a Brazilian pediatric population with type 1 diabetes mellitus and their parents or caregivers. Methods: The instrument was translated, back-translated, and then administered to 83 children/adolescents (5-18 years) with type 1 diabetes mellitus and their family members and to 25 parents/caregivers of patients aged between 2 and 4 years. The final translated version was tested for reliability by analyzing internal consistency, intraobserver (test-retest) reliability, and concurrent validity. Results: Cronbach's alpha coefficient for the total score of the questionnaires of children/adolescents (α = 0.85) and their parents (α = 0.82) was above the recommended minimum of 0.70 for group comparisons. Intraobserver reliability and concurrent validity exhibited a significant positive correlation (p < 0.001), indicating the reliability of the translated instrument. A moderate but significant positive correlation (r = 0.40; p < 0.001) was demonstrated between the total scores of patient self-report and parent proxy-report scales. There was no significant correlation between glycated hemoglobin (HbA1c) levels and the respective scores in the questionnaires answered by patients and their parents/caregivers. Conclusion: The analysis of the translated version of the PedsQLTM 3.0 Diabetes Module revealed adequate psychometric characteristics with respect to reliability and validity following administration to a sample of Brazilian children/adolescents with type 1 diabetes mellitus and their caregivers.

ABSTRACT The aim of this study was to optimize the dextranase production by fungus Pochonia chlamydosporia (VC4) and evaluate its activity in dextran reduction in sugarcane juice. The effects, over the P. chlamydosporia dextranase production, of different components from the culture medium were analyzed by Plackett-Burman design and central composite design. The response surface was utilized to determine the levels that, among the variables that influence dextranase production, provide higher production of these enzymes. The enzymatic effect on the removal of dextran present in sugarcane juice was also evaluated. It was observed that only NaNO3 and pH showed significant effect (p<0.05) over dextranase production and was determined that the levels which provided higher enzyme production were, respectively, 5 g/L and 5.5. The dextranases produced by fungus P. chlamydosporia reduced by 75% the dextran content of the sugarcane juice once treated for 12 hours, when compared to the control treatment.

An investigation on unusual interface properties of unprecedented ternary composites, formed by the inclusion of assorted proportions of B2O3 into TiO2/SiO2 structure, is conducted herein. The influences of B2O3 content and calcination temperature were evaluated. The precursor TiO2/SiO2 material was synthesized via a simple sol-gel procedure that was followed by B2O3 inclusion via maceration and calcination. The materials were fully characterized and their photocatalytic performance to degrade the Indigo Carmine dye investigated. The material prepared with a B/Ti molar ratio of 1 and at calcination temperature of 350 °C (B1-350) showed the best performance, with a superior photocatalytic activity than that of commercial TiO2. The presence of B2O3-TiO2-SiO2 interfaces in the structure of such material was of critical importance in producing a material with these attractive features. Finally, high resolution mass spectrometry monitoring allowed for the characterization of the main degradation products formed under these conditions.

Flame atomic absorption spectrometry (FAAS) and inductively coupled plasma optical emission spectrometry (ICP OES) are widely used in academic institutions and laboratories for quality control to analyze inorganic elements in samples. However, these techniques have been observed to underperform in sample nebulization processes. Most of the samples processed through nebulization system are discarded, producing large volumes of waste. This study reports the treatment and reuse of the waste produced from ICP OES technique in a laboratory of analytical research at the Universidade Federal do Ceará, Brazil. The treatment of the waste was performed by the precipitation of elements using (NH4)2CO3. Subsequently, the supernatant solution can be discarded in accordance with CONAMA 430/2011. The precipitate produced from the treatment of residues can be reused as a potential sample in undergraduate qualitative analytical chemistry lab classes, providing students the opportunity to test a real sample.

Electrostatic phenomena were discovered long ago but their interpretation according to well-established atomic-molecular theory is still lacking. As a result, electrostatic phenomena are often irreproducible and uncontrolled, causing serious practical problems. Highly reproducible recent experimental results on electrostatic charging from this and other laboratories are reviewed in this work, together with a description of the relevant but not so usual Kelvin probe and Faraday cup techniques. These results support a new model for electrostatic charging of dielectrics and insulated metals, based on the role of moist atmosphere as a charge reservoir.

Esta pesquisa teve o objetivo de reconstruir trocas de vegetação (com referências climáticas) que ocorreram durante o Holoceno na ilha de Fernando de Noronha, Estado de Pernambuco, nordeste do Brasil. Para o desenvolvimento da pesquisa utilizou-se de análises geoquímicas (minerais, elementar), isótopos do carbono (δ13C, 14C) e análises polínicas em solos e sedimentos coletados na Lagoa da Viração e no manguezal do Sueste. Os isótopos do carbono dos solos indicaram que não houve trocas significativas de vegetação durante os últimos 7400 anos AP, sugerindo que o clima não foi um fator determinante para a dinâmica da vegetação. A análise polínica dos sedimentos da Lagoa da Viração mostrou ausência de elementos quaternários no período entre 720 AP e 90 AP. A análise mineralógica das camadas mais profundas mostrou a presença de diopsídeo, indicando que este material foi desenvolvido"in situ". Somente na parte superficial do testemunho foram encontrados palinomorfos de plantas similares à vegetação moderna. Os resultados geoquímicos e isotópicos, em associação com o tipo de sedimento e as análises polínicas das amostras de sedimento do Manguezal do Sueste, indicaram variações na vegetação e na sua localização desde o Holoceno médio. Tais variações podem estar associadas a eventos climáticos e oscilações do nível do mar e também a eventos antrópicos considerando os últimos quinhentos anos.

The aim of this research was to reconstruct vegetation changes (with climate inferences) that occurred during the Holocene in the Fernando de Noronha Island, Pernambuco State, northeastern Brazil. The research approach included the use of geochemical (mineralogy, elemental), carbon isotopes (δ13C, 14C) and pollen analyses in soil organic matter (SOM) and sediments collected in Lagoa da Viração and Manguezal do Sueste. The carbon isotopes data of SOM indicated that there was no significant vegetation changes during the last 7400 BP, suggesting that the climate was not the determinant factor for the vegetation dynamics. The pollen analysis of the sediment of a core collected in the Lagoa da Viração showed the absence of Quaternary material in the period between 720 BP and 90 BP. The mineralogical analysis of deeper layer showed the presence of diopside indicating this material was developed "in situ". Only in the shallow part of the core were found pollen of similar plant species of the modern vegetation. The geochemistry and isotope results, in association with the sediment type and pollen analyses of sediment samples of Manguezal do Sueste, indicated variations in the vegetation and in its location since the middle Holocene. Such variations can be associated with climatic events and sea level oscillations and also with anthropogenic events considering the last five hundred years.

The features of the nucleotide sequences in both replication and promoter regions have been investigated in many organisms. Intrinsically bent DNA sites associated with transcription have been described in several prokaryotic organisms. The aim of the present study was to investigate intrinsic bent DNA sites in the segment that holds the chromosomal replication origin, oriC, of Xylella fastidiosa 9a5c. Electrophoretic behavior analyses, as well as in silico analyses of both the 2-D projection and helical parameters, were performed. The chromosomal segment analyzed contains the initial sequence of the rpmH gene, an intergenic region, the dnaA gene, the oriC sequence, and the 5' partial sequence of the dnaN gene. The analysis revealed fragments with reduced electrophoretic mobility, which indicates the presence of curved DNA segments. The analysis of the helical parameter ENDS ratio revealed three bent DNA sites (b1, b2, and b3) located in the rpmH-dnaA intergenic region, the dnaA gene, and the oriC 5' end, respectively. The chromosomal segment of X. fastidiosa analyzed here is rich in phased AT tracts and in CAnT motifs. The 2-D projection indicated a segment whose structure was determined by the cumulative effect of all bent DNA sites. Further, the in silico analysis of the three different bacterial oriC sequences indicated similar negative roll and twist >34.00° values. The DnaA box sequences, and other motifs in them, may be associated with the intrinsic DNA curvature.

Os autores apresentam o caso de um doente do sexo masculino, de 80 anos, com neoplasia intra-epitelial de alto grau /carcinoma in situ em esófago de Barrett, submetida a mucosectomia com o “kit” Duette® DT-6-5F (Cook, EUA). Ao cabo de 6 meses de seguimento, o doente mantém-se assintomático e sem displasia nas biopsias de controlo. Salientam-se as características deste sistema, recentemente disponível no mercado, e discutem-se as possibilidades de abordagem terapêutica destes casos.

The authors present a case of a 80-year-old man with high degree epithelial neoplasia/carcinoma in situ in Barrett´s esophagus, treated by endoscopic mucosal resection with Duette® DT-6-5F system (Cook, USA). After 6 months of follow-up, the patient is assymptomatic and presents no dysplasia in control biopsies. We reinforce the characteristics of this system, which was recently introduced, and discuss the therapeutic options in these cases.

Os autores apresentam o caso de um doente do sexo masculino, de 70 anos, com carcinoma epidermóide do esófago in situ e carcinóides gástricos de tipo 1. Foi submetido a terapêutica fotodinâmica do carcinoma esofágico e mucosectomia da lesão gástrica de maiores dimensões, sem complicações. Após 3 anos de seguimento permanece assintomático. Os controlos endoscópicos semestrais evidenciaram reconstituição completa da mucosa normal do esófago e manutenção das características dos tumores carcinóides. Discutem-se as duas entidades e respectivo tratamento, assim como os argumentos que apontam para uma eventual associação entre ambas.

The authors present a case of a 70-year-old man with in situ oesophageal squamous cell carcinoma and type 1 gastric carcinoids. Oesophageal carcinoma was treated with photodynamic therapy and an endoscopic mucosal ressection was performed for the largest gastric lesion, without complications. After 3 years of follow-up patient is assymptomatic. Endoscopic controls every 6 month revealed normal oesophageal mucosa and persistence of the carcinoid characteristics. We discuss both conditions and respective treatment, as well as the arguments that suggest an eventual association between them.

Apresentamos o caso clínico de um doente de cinquenta anos que recorreu ao Serviço de Urgência por queixas de epigastralgias com três meses de evolução, sem antecedentes de pancreatite e sem hábitos etílicos. A ecografia abdominal a que foi submetido mostrou uma lesão quística do pâncreas confirmada pela TAC mas cuja natureza não foi possível esclarecer mesmo após punção eco-guiada. O doente foi submetido a duodenopancreatectomia cefálica radical, após biopsia extemporânea inconclusiva, mas o estudo anatomo-patológico da peça operatória revelou um adenoma seroso oligoquístico com alguns fenómenos de pancreatite crónica obstrutiva. Trata-se de uma situação rara e embora a hipótese de cistadenoma seroso não tivesse sido excluída ab initio era das que se apresentava como menos provável.

We present the case of a fifty years old patient who was first seen in the Emergency Service with a three month history of epigastric pain, without previous pancreatitis or alcohol consumption. The abdominal ultrasound has shown a cystic lesion of the pancreas confirmed by CT scan. However, its ethiology was not determined even after ultrasound guided aspiration of the cyst fluid. The patient was submitted to cephalic pancreatoduodenectomy (Whipple's resection) after an inconclusive extemporaneous biopsy but the histological observation of the surgical specimen revealed a serous oligocystic adenoma with some features of obstructive chronic pancreatitis. This is a rare condition and although the hypothesis of serous cystadenoma was not excluded "ab initio", it was one of the least probable.