Conformational Study of Naringenin in the Isolated and Solvated States by Semiempirical and Ab Initio Methods

Naringenin is a natural widespread flavanone occurring in different foodstuffs that presents several important biological activities. Although its properties are well documented, its mechanisms of action are still controversial. The present article reports a conformational analysis of naringenin, using the semiempirical AM1 and ab initio methods, at the Hartree–Fock level of theory. The 3-21G, 3-21G*, 6-31G, and 6-31G** basis sets were used. The electron correlation effects were included through the Møller–Plesset second-order perturbation theory. The solvation of naringenin has been investigated through the standard SCRF, the supermolecule (SM), and the combined SM/SCRF models. The results have shown that there are two degenerate forms of naringenin, differing mainly by the orientation of a hydroxyl group (C4—OH). The energy barrier for the interconversion between them is ca. 6 kcal.mol^–1, suggesting some conjugation between the -system of the aromatic B ring and the hydroxyl group (C4—OH).     

Isolation and Absolute Configuration of β,β-Carotene Diepoxide

The 5,6:5′,6′-diepoxy-5,6:5′,6;-tetrahydro-β,β-carotene, isolated from tubers of a white-fleshed variety of sweet potato (Ipomoea batatas LAM .) has been assigned the (5R,6S,5′R,6′S)-chirality on the basis of its HPLC, UV/VIS, and CD data.     

Development of Neuropeptide Y and Cell-Penetrating Peptide MAP Adsorbed onto Lipid Nanoparticle Surface

Functionalization of nanoparticles surfaces have been widely used to improve diagnostic and therapeutic biological outcome. Several methods can be applied to modify nanoparticle surface; however, in this article we focus toward a simple and less time-consuming method. We applied an adsorption method on already formulated nanostructured lipid carriers (NLC) to functionalize these nanoparticles with three distinct peptides sequences. We selected a cell-penetrating peptide (CPP), a lysine modified model amphipathic peptide (Lys(N₃)-MAP), CPP/drug complex, and the neuropeptide Y. The aim of this work is to evaluate the effect of several parameters such as peptide concentration, different types of NLC, different types of peptides, and incubation medium on the physicochemical proprieties of NLC and determine if adsorption occurs. The preliminary results from zeta potential analysis indicate some evidence that this method was successful in adsorbing three types of peptides onto NLC. Several non-covalent interactions appear to be involved in peptide adsorption with the possibility of three adsorption peptide hypothesis that may occur with NLC in solution. Moreover, and for the first time, in silico docking analysis demonstrated strong interaction between CPP MAP and NPY Y1 receptor with high score values when compared to standard antagonist and NPY.     

A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies

A brief review of the experimental methods used to evaluate vapour pressures and sublimation enthalpies is presented. The methods discussed have been used for determining the results of several substituted benzenes that were collected in a database, with the main purpose of developing new estimation methods of these thermodynamic properties. A critical evaluation of the two most used calorimetric techniques for determining enthalpies of sublimation is also addressed.     

Strategies of karyotype differentiation in Elateridae (Coleoptera, Polyphaga)

The chromosome study of five species of the family Elateridae, belonging to the subfamilies Agrypninae and Elaterinae, and the analysis of the cytogenetic data previously recorded for this family permitted the establishment of the main strategies of karyotypic differentiation that has occurred in the elaterids. In Agrypninae, the three species studied (Conoderus fuscofasciatus, Conoderus rufidens, and Conoderus sp.) showed the male karyotype 2n=16+X0. This karyotypic uniformity detected in these Conoderus species has also been shared with other species of the same genus, differing considerably from chromosomal heterogeneity verified in the subfamily Agrypninae. The use of the C-banding technique in C. fuscofasciatus and Conoderus sp. revealed constitutive heterochromatin in the pericentromeric region of the majority of the chromosomes. In C. fuscofasciatus, additional constitutive heterochromatin were also observed in the long arm terminal region of almost all chromosomes. Among the representatives of Elaterinae, the karyotype 2n=18+Xy(p) of Pomachilius sp.2 was similar to that verified in the majority of the Coleoptera species, contrasting with the chromosomal formula 2n=18+X0 detected in Cardiorhinus rufilateris, which is most common in the species of Elaterinae. In the majority of the elaterids, the chromosomal differentiation has frequently been driven by reduction of the diploid number; but, among the four cytogenetically examined subfamilies, there are some differences in relation to the trends of karyotypic evolution.     

Morphologic changes in the urethral epithelium in an ethanol-drinking rat strain (UChA and UChB)

The extreme use of ethanol causes metabolic and pathologic changes in testes and urogenital system in different animal species. The enzyme alcohol dehydrogenase (ADH) catalyses the conversion of ethanol into carcinogenic metabolite acetaldehyde which is partly excreted into the urine. However, papers relating the chronic ethanol consumption to the urethral morphology are unknown. This work evaluates the toxic effect of the chronic ethanol ingestion on the urethral epithelium of UChA and UChB rats. Conventional techniques of histology, histochemistry, immunohistochemistry and ultrastructural analysis were used. The analysis showed the presence of lipid drops and intercellular spaces in the epithelial cells in the urethra of UChA and UChB rats compared to control rats. Urethral neuroendocrine cell were observed and characterized for presenting vesicles containing electron-dense granules associated with nervous fibers. We conclude that the chronic consumption of ethanol induces the presence lipid drops in the epithelial cells of the urethra of UChA and UChB rats. The NE cells of the urethra of UChA and UChB rats did not show alterations under chronic effect of the ethanol.     

Aeolian transport of sand

The airborne transport of particles on a granular surface by the saltation mechanism is studied through numerical simulation of particles dragged by turbulent air flow. We calculate the saturated flux q_s and show that its dependence on the wind strength u_* is consistent with several empirical relations obtained from experimental measurements. We propose and explain a new relation for fluxes close to the threshold velocity u_t, namely, q_s=a(u_*-u_t)^α with α≈2. We also obtain the distortion of the velocity profile of the wind due to the drag of the particles and find a novel dynamical scaling relation. We also obtain a new expression for the dependence of the height of the saltation layer as function of the strength of the wind.     

Tensor gauge field localization on a string-like defect

This work is devoted to the study of tensor gauge fields on a string-like defect in six dimensions. This model is very successful in localizing fields of various spins only by gravitational interaction. Due to problems of field localization in membrane models we are motivated to investigate if a string-like defect localizes the Kalb–Ramond field. In contrast to what happens in Randall–Sundrum and thick brane scenarios we find a localized zero mode without the addition of other fields in the bulk. Considering the local string defect we obtain analytical solutions for the massive modes. Also, we take the equations of motion in a supersymmetric quantum mechanics scenario in order to analyze the massive modes. The influence of the mass as well as the angular quantum number in the solutions is described. An additional analysis on the massive modes is performed by the Kaluza–Klein decomposition, which provides new details about the KK masses.