Personagem: Professor Xavier

Dois arquivos, um no formato PNG e outro em formato SVG. Dimensão de 1174x858px.

Effectiveness of high-throughput miniaturized sorbent- and solid phase microextraction techniques combined with gas chromatography–mass spectrometry analysis for a rapid screening of volatile and semi-volatile composition of wines: a comparative study

In this study the feasibility of different extraction procedures was evaluated in order to test their potential for the extraction of the volatile (VOCs) and semi-volatile constituents (SVOCs) from wines. In this sense, and before they could be analysed by gas chromatography–quadrupole first stage masss spectrometry (GC–qMS), three different high-throughput miniaturized (ad)sorptive extraction techniques, based on solid phase extraction (SPE), microextraction by packed sorbents (MEPS) and solid phase microextraction (SPME), were studied for the first time together, for the extraction step. To achieve the most complete volatile and semi-volatile signature, distinct SPE (LiChrolut EN, Poropak Q, Styrene-Divinylbenzene and Amberlite XAD-2) and MEPS (C2, C8, C18, Silica and M1 (mixed C8-SCX)) sorbent materials, and different SPME fibre coatings (PA, PDMS, PEG, DVB/CAR/PDMS, PDMS/DVB, and CAR/PDMS), were tested and compared. All the extraction techniques were followed by GC–qMS analysis, which allowed the identification of up to 103 VOCs and SVOCs, distributed by distinct chemical families: higher alcohols, esters, fatty acids, carbonyl compounds and furan compounds. Mass spectra, standard compounds and retention index were used for identification purposes. SPE technique, using LiChrolut EN as sorbent (SPELiChrolut EN), was the most efficient method allowing for the identification of 78 VOCs and SVOCs, 63 and 19 more than MEPS and SPME techniques, respectively. In MEPS technique the best results in terms of number of extractable/identified compounds and total peak areas of volatile and semi-volatile fraction, were obtained by using C8 resin whereas DVB/CAR/PDMS was revealed the most efficient SPME coating to extract VOCs and SVOCs from Bual wine. Diethyl malate (18.8 ± 3.2%) was the main component found in wine SPELiChrolut EN extracts followed by ethyl succinate (13.5 ± 5.3%), 3-methyl-1-butanol (13.2 ± 1.7%), and 2-phenylethanol (11.2 ± 9.9%), while in SPMEDVB/CAR/PDMS technique 3-methyl-1-butanol (43.3 ± 0.6%) followed by diethyl succinate (18.9 ± 1.6%), and 2-furfural (10.4 ± 0.4%), are the major compounds. The major VOCs and SVOCs isolated by MEPSC8 were 3-methyl-1-butanol (26.8 ± 0.6%, from wine total volatile fraction), diethyl succinate (24.9 ± 0.8%), and diethyl malate (16.3 ± 0.9%). Regardless of the extraction technique, the highest extraction efficiency corresponds to esters and higher alcohols and the lowest to fatty acids. Despite some drawbacks associated with the SPE procedure such as the use of organic solvents, the time-consuming and tedious sampling procedure, it was observed that SPELiChrolut EN, revealed to be the most effective technique allowing the extraction of a higher number of compounds (78) rather than the other extraction techniques studied.

Modelagem molecular na caracterização eletrônica de oligopeptídeos e na descrição quântica da interação fármaco-receptor

In this dissertation, the theoretical principles governing the molecular modeling were applied for electronic characterization of oligopeptide α3 and its variants (5Q, 7Q)-α3, as well as in the quantum description of the interaction of the aminoglycoside hygromycin B and the 30S subunit of bacterial ribosome. In the first study, the linear and neutral dipeptides which make up the mentioned oligopeptides were modeled and then optimized for a structure of lower potential energy and appropriate dihedral angles. In this case, three subsequent geometric optimization processes, based on classical Newtonian theory, the semi-empirical and density functional theory (DFT), explore the energy landscape of each dipeptide during the search of ideal minimum energy structures. Finally, great conformers were described about its electrostatic potential, ionization energy (amino acids), and frontier molecular orbitals and hopping term. From the hopping terms described in this study, it was possible in subsequent studies to characterize the charge transport propertie of these peptides models. It envisioned a new biosensor technology capable of diagnosing amyloid diseases, related to an accumulation of misshapen proteins, based on the conductivity displayed by proteins of the patient. In a second step of this dissertation, a study carried out by quantum molecular modeling of the interaction energy of an antibiotic ribosomal aminoglicosídico on your receiver. It is known that the hygromycin B (hygB) is an aminoglycoside antibiotic that affects ribosomal translocation by direct interaction with the small subunit of the bacterial ribosome (30S), specifically with nucleotides in helix 44 of the 16S ribosomal RNA (16S rRNA). Due to strong electrostatic character of this connection, it was proposed an energetic investigation of the binding mechanism of this complex using different values of dielectric constants (ε = 0, 4, 10, 20 and 40), which have been widely used to study the electrostatic properties of biomolecules. For this, increasing radii centered on the hygB centroid were measured from the 30S-hygB crystal structure (1HNZ.pdb), and only the individual interaction energy of each enclosed nucleotide was determined for quantum calculations using molecular fractionation with conjugate caps (MFCC) strategy. It was noticed that the dielectric constants underestimated the energies of individual interactions, allowing the convergence state is achieved quickly. But only for ε = 40, the total binding energy of drug-receptor interaction is stabilized at r = 18A, which provided an appropriate binding pocket because it encompassed the main residues that interact more strongly with the hygB - C1403, C1404, G1405, A1493, G1494, U1495, U1498 and C1496. Thus, the dielectric constant ≈ 40 is ideal for the treatment of systems with many electrical charges. By comparing the individual binding energies of 16S rRNA nucleotides with the experimental tests that determine the minimum inhibitory concentration (MIC) of hygB, it is believed that those residues with high binding values generated bacterial resistance to the drug when mutated. With the same reasoning, since those with low interaction energy do not influence effectively the affinity of the hygB in its binding site, there is no loss of effectiveness if they were replaced.

Estudo in silico da interação da albumina de soro humano com o ibuprofeno

Currently, computational methods have been increasingly used to aid in the characterization of molecular biological systems, especially when they relevant to human health. Ibuprofen is a nonsteroidal antiinflammatory or broadband use in the clinic. Once in the bloodstream, most of ibuprofen is linked to human serum albumin, the major protein of blood plasma, decreasing its bioavailability and requiring larger doses to produce its antiinflamatory action. This study aimes to characterize, through the interaction energy, how is the binding of ibuprofen to albumin and to establish what are the main amino acids and molecular interactions involved in the process. For this purpouse, it was conducted an in silico study, by using quantum mechanical calculations based on Density Functional Theory (DFT), with Generalized Gradient approximation (GGA) to describe the effects of exchange and correlation. The interaction energy of each amino acid belonging to the binding site to the ligand was calculated the using the method of molecular fragmentation with conjugated caps (MFCC). Besides energy, we calculated the distances, types of molecular interactions and atomic groups involved. The theoretical models used were satisfactory and show a more accurate description when the dielectric constant ε = 40 was used. The findings corroborate the literature in which the Sudlow site I (I-FA3) is the primary binding site and the site I-FA6 as secondary site. However, it differs in identifying the most important amino acids, which by interaction energy, in order of decreasing energy, are: Arg410, Lys414, Ser 489, Leu453 and Tyr411 to the I-Site FA3 and Leu481, Ser480, Lys351, Val482 and Arg209 to the site I-FA6. The quantification of interaction energy and description of the most important amino acids opens new avenues for studies aiming at manipulating the structure of ibuprofen, in order to decrease its interaction with albumin, and consequently increase its distribution

Effect of intensification on grow out of the Amazon River prawn, Macrobrachium amazonicum

The effects of intensification on growth, survival, productivity, population structure, and distribution of harvested biomass in individual size classes of Macrobrachium amazonicum in semi-intensive culture were evaluated. Postlarvae (0.01 g) were stocked in 12 ponds at densities of 10, 20, 40, and 80/m(2) (three replicates per treatment) and raised for 5.5 mo. Average individual weight significantly decreased and productivity significantly increased as stocking density increased (P < 0.001), while survival was not affected (P > 0.05). Prawn mean weight at harvest ranged from 3.6 (80/m(2)) to 7.0 g (10/m(2)). Average survival ranged from 65.5% (40/m(2)) to 72.8% (20/m(2)), while productivity ranged from 508 (10/m(2)) to 2051 kg/ha (80/m(2)). Harvested biomass showed a clear bimodal distribution in individual size classes indicating the occurrence of heterogeneous growth, which may affect management and market strategies. Harvested biomass of prawns weighing more than 7 g (the best market size) increases for stocking densities up to 40/m(2) and stabilizes between 40 and 80/m(2). Growth reduction was associated with a decreasing frequency and average weight of green claw 1 and green claw 2 male morphotypes and adult females as density increased. Thus, the distribution of male morphotypes and sexually mature females are affected by density-dependent factors. Results suggest that prawn density plays an important role on M. amazonicum grow-out phase, as has been demonstrated for other species of the genus Macrobrachium. M. amazonicum tolerates grow-out intensification and may be raised in both semi-intensive and intensive systems stocked at very high densities yielding high productivity.

Effects of Silicon and Drought Stress on Tuber Yield and Leaf Biochemical Characteristics in Potato

Silicon has beneficial effects on many crops, mainly under biotic and abiotic stresses. Silicon can affect biochemical, physiological, and photosynthetic processes and, consequently, alleviates drought stress. However, the effects of Si on potato (Solanum tuberosum L.) plants under drought stress are still unknown. The objective of this study was to evaluate the effect of Si supply on some biochemical characteristics and yield of potato tubers, either exposed or not exposed to drought stress. The experiment was conducted in pots containing 50 dm(3) of a Typic Acrortox soil (33% clay, 4% silt, and 63% sand). The treatments consisted of the absence or presence of Si application (0 and 284.4 mg dm(-3)), through soil amelioration with dolomitic lime and Ca and Mg silicate, and in the absence or presence of water deficit (-0.020 MPa and -0.050 MPa soil water potential, respectively), with eight replications. Silicon application and water deficit resulted in the greatest Si concentration in potato leaves. Proline concentrations increased under lower water availability and higher Si availability in the soil, which indicates that Si may be associated with plant osmotic adjustment. Water deficit and Si application decreased total sugars and soluble proteins concentrations in the leaves. Silicon application reduced stalk lodging and increased mean tuber weight and, consequently, tuber yield, especially in the absence of water stress.

Comparação de alguns modelos matemáticos para ajuste à curva de lactação média de um rebanho da raça Caracu

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Análise bayesiana na estimação de correlações genéticas entre escores visuais e características reprodutivas de bovinos Nelore utilizando modelos linear-limiar

Estimaram-se as correlações genéticas entre os escores visuais e as características reprodutivas, utilizando a estatística bayesiana sob modelo animal linear-limiar, em bovinos da raça Nelore. Foram estudadas características categóricas morfológicas, avaliadas visualmente aos oito, 15 e 22 meses de idade; e características contínuas de perímetro escrotal padronizado aos 365 e 450 dias de idade, além da idade ao primeiro parto. As estimativas de correlações genéticas foram de sentido favorável à seleção, apresentando magnitudes moderadas, sugerindo que a seleção de animais para um biótipo desejável pode levar a animais com maior fertilidade e precocidade sexual. As estimativas de correlação genética para o perímetro escrotal padronizado aos 450 dias e a idade ao primeiro parto com as características morfológicas avaliadas aos 22 meses de idade foram maiores do que as obtidas entre as características de escores visuais avaliadas aos oito e 15 meses de idade. A utilização de escores visuais como critério de seleção trará progresso genético também para as características reprodutivas.

Doses de fósforo e zinco na cultura do alho em condições de casa de vegetação

A adubação fosfatada promove o aumento de produtividade na cultura do alho, mas doses de fósforo (P) podem proporcionar a deficiência de zinco (Zn) na planta, sobretudo em solos com baixos teores deste micronutriente. O objetivo do trabalho foi verificar o efeito da interação entre P e Zn no solo sobre o desenvolvimento e produção de plantas de alho. Foram instalados três experimentos, cada um com um tipo de solo, em vasos com 17 kg de solo, em casa de vegetação telada. Empregou-se delineamento em blocos casualizados em esquema fatorial com 4 doses de P (0, 100, 200 e 400 mg dm-3) utilizando-se superfosfato triplo e 4 doses de Zn (0, 2,5, 5,0 e 10 mg dm-3) aplicados na forma de ZnSO4.7H2O, ambos incorporados ao solo, com três repetições. A produtividade e o desenvolvimento de plantas de alho foram influenciados, isoladamente, pelas doses de P e Zn, não havendo a interação entre esses nutrientes. Para os solos Neossolo Quartzarênico (NQ) textura arenosa, Latossolo Vermelho Distrófico (LE) textura média e Latossolo Vermelho Distroférrico (LR), textura argilosa, as melhores doses de P para a produção de alho foram de 190, 400 e 400 mg dm-3 e para o Zn de 2,2; 6,5 e 5,1 mg dm-3 respectivamente.

Bioaccumulation of chlorinated pesticides and PCBs in the tropical freshwater fish Hoplias malabaricus: Histopathological, physiological, and immunological findings

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Citocinas e proteínas de fase aguda do soro como marcadores de regressão da resposta inflamatória ao tratamento da tuberculose pulmonar

OBJETIVO: Analisar o padrão de citocinas pró- e antiinflamatórias e da resposta de fase aguda (RFA) como marcadores de resposta ao tratamento da tuberculose pulmonar. MÉTODOS: Determinação dos níveis de interferon-gama (IFN-γ), tumor necrosis factor-alpha (TNF-α, fator de necrose tumoral-alfa), interleucina-10 (IL-10) e transforming growth factor-beta (TGF-β, fator transformador de crescimento-beta), pelo método ELISA, em sobrenadante de cultura de células mononucleares do sangue periférico e monócitos, assim como dos níveis de proteínas totais, albumina, globulinas, alfa-1-glicoproteína ácida (AGA), proteína C reativa (PCR) e velocidade de hemossedimentação (VHS) em 28 doentes com tuberculose pulmonar, em três tempos: antes (T0), aos três meses (T3) e aos seis meses (T6) de tratamento, em relação aos controles saudáveis, em um único tempo. RESULTADOS: Os pacientes apresentaram valores maiores de citocinas e RFA que os controles em T0, com diminuição em T3 e diminuição (TNF-α, IL-10, TGF-β, AGA e VHS) ou normalização (IFN-γ e PCR) em T6. CONCLUSÕES: PCR, AGA e VHS são possíveis marcadores para auxiliar no diagnóstico de tuberculose pulmonar e na indicação de tratamento de indivíduos com baciloscopia negativa; PCR (T0 > T3 > T6 = referência) pode também ser marcador de resposta ao tratamento. Antes do tratamento, o perfil Th0 (IFN-γ, IL-10, TNF-α e TGF-β), indutor de e protetor contra inflamação, prevaleceu nos pacientes; em T6, prevaleceu o perfil Th2 (IL-10, TNF-α e TGF-β), protetor contra efeito nocivo pró-inflamatório do TNF-α ainda presente. O comportamento do IFN-γ (T0 > T3 > T6 = controle) sugere sua utilização como marcador de resposta ao tratamento.

Isótopos de Nd na proveniência de rochas e sedimentos da bacia potiguar, ne do Brasil

Nd ISOTOPES IN THE PROVENANCE OF TERRIGENOUS AND CARBONATE ROCKS AND SEDIMENTS OF THE POTIGUAR BASIN, NORTHEASTERN BRAZIL. Mesozoic and Cenozoic rocks from the Potiguar Basin, including terrigenous and carbonate sediments have been investigated to identify their isotopic signature and source areas. Additionally, this study aims to determine the provenance of terrigenous and carbonate sediments on the Brazilian Continental shelf adjacent to Potiguar Basin. The Sm-Nd isotopic signatures of the rocks yielded model ages (TDM) in the range of 2,19- 2,88 Ga, indicating archean to paleoproterozoic sources from the basement. The terrigenous sediments yielded model ages (TDM) in the range of 2,31-2,26 Ga, from 17,5 to 0 cm depth. Despite the small number of samples, limited variations of provenance ages indicates the homogenization of the sediments, probably due to the strong influence of the basement, as the main source of sediments to the shelf. The Sm-Nd isotopic signatures of the carbonate sediments yielded model ages (TDM) in the range of 2,09-2,61 Ga, indicating archean to paleoproterozoic sources from the basement. The results also indicate that the shelf sediments are mainly derived from the Açu River or other small rivers from the Setentrional Sector of Rio Grande do Norte State. The littoral drift doesn´t seem to contribute with sediments from the Oriental Sector since isotopic signatures from this sector were not detected.

Displasia folicular em cão

A displasia folicular canina é uma dermatopatia incomum caracterizada clinicamente por alopecia e alterações na qualidade da pelagem. Relata-se o caso de um cão, sem raça definida, 7 meses de idade, macho, levado à consulta por apresentar alopecia progressiva disseminada. O diagnóstico anátomo-clínico da displasia folicular canina do caso ora descrito foi estabelecido pelos dados colhidos na resenha e anamnese, achados do exame dermatológico e osteomuscular e confirmado pelas alterações histológicas dos fragmentos de pele biopsiados. Este artigo visa relatar um caso de displasia folicular canina e comparar com outros casos descritos na literatura, pois são esparsos as descrições na literatura brasileira.

First detection of the equine herpesvirus 1 neuropathogenic variant in Brazil

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)