Antiproliferative activity, antioxidant capacity and tannin content in plants of semi-arid northeastern Brazil

The objective of this study was to evaluate antiproliferative activity, antioxidant capacity and tannin content in plants from semi-arid northeastern Brazil (Caatinga). For this study, we selected 14 species and we assayed the methanol extracts for antiproliferative activity against the HEp-2 (laryngeal cancer) and NCI-H292 (lung cancer) cell lines using the (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazole) (MTT) method. In addition, the antioxidant activity was evaluated with the DPPH (2,2-diphenyl-2-picrylhydrazyl) assay, and the tannin content was determined by the radial diffusion method. Plants with better antioxidant activity (expressed in a dose able to decrease the initial DPPH concentration by 50%, or IC50) and with higher levels of tannins were: Poincianella pyramidalis (42.95±1.77 μg/mL IC50 and 8.17±0.64 tannin content), Jatropha mollissima (54.09±4.36μg/mL IC50 and 2.35±0.08 tannin content) and Anadenanthera colubrina (73.24±1.47 μg/mL IC50 and 4.41±0.47 tannin content). Plants with enhanced antiproliferative activity (% living cells) were Annona muricata (24.94±0.74 in NCI-H292), Lantana camara (25.8±0.19 in NCI-H292), Handroanthus impetiginosus (41.8±0.47 in NCI-H292) and Mentzelia aspera (45.61±1.94 in HEp-2). For species with better antioxidant and antiproliferative activities, we suggest future in vitro and in vivo comparative studies with other pharmacological models, and to start a process of purification and identification of the possible molecule(s) responsible for the observed pharmacological activity. We believe that the flora of Brazilian semi-arid areas can be a valuable source of plants rich in tannins, cytotoxic compounds and antioxidant agents.     

A theoretical study of dihydrogen bonds in small protonated rings: Aziridine and azetidine cations

B3LYP/6-311++G(d,p) calculations were used to predict some molecular properties of the C₂H₆N⁺?BeH₂, C₂H₆N⁺?MgH₂, C₃H₈N⁺?BeH₂ and C₃H₈N⁺?MgH₂ dihydrogen-bonded complexes. In these systems, it was demonstrated that the C₂H₆N⁺ and C₃H₈N⁺ protonated rings are potential candidates to bind with protonic hydrogens derived from alkaline earth metal compounds, BeH₂ and MgH₂. In terms of structural parameters and quantification of the dihydrogen bond energies, we should mention that the C₂H₆N⁺ three-membered ring provides the formation of stronger bound systems, which are 4.0 kJ mol^?1 more stables than C₃H₈N⁺ four-membered ones. As complement, the analysis of the infrared spectrum indicated that red-shifts and blue-shifts are occurring in the N–H bonds of both C₂H₆N⁺ and C₃H₈N⁺ cationic rings. However, these two vibrational shifts were also verified on BeH₂ and MgH₂, what lead us to affirm that cationic compounds derived from small nitrogen rings and earth alkaline molecules are able to form unusual dihydrogen-bonded complexes by means of distinct spectroscopic phenomena, the red-shits and blue-shifts.     

Ensemble wavelet modelling for determination of wheat and gasoline properties by near and middle infrared spectroscopy

The wavelet transform has been shown to be a useful tool for multivariate calibration. However, the choice of wavelet transform settings (wavelet family, length and number of decomposition levels) for a given application is still an open problem. The present paper proposes an alternative approach, which consists of generating an ensemble model by combining individual models obtained with different wavelet transform settings. The advantages of the proposed method are demonstrated in two analytical problems, namely the determination of moisture and protein in wheat by near infrared spectroscopy and the determination of specific mass and three distillation temperatures (T10, T50, T90) in gasoline by middle infrared spectroscopy. In these problems, the results varied considerably among individual models, which underlines the risk associated to an inadequate choice of wavelet transform settings. In contrast, the ensemble model always provided adequate results in terms of prediction error and noise sensitivity. The proposed method can be seen as an advantageous alternative for multivariate calibration in the wavelet domain, as it frees the analyst from the need to choose a particular configuration for the wavelet transform.     

Conical parametric scattering of a single extraordinary beam in BaTiO3 crystal

In this paper, the parametric scattering of a single extraordinary polarized beam of laser in BaTiO₃ photorefractive crystal has been investigated experimentally and theoretically. The resulting pattern consists of beam fanning, isotropic ring, and anisotropic one. Among all parts of scattering pattern, isotropic ring has not been studied as much as beam fanning and anisotropic ring, and there still are some differences in reports about it. Therefore, the study has mainly focused on this part. In this experimental configuration, isotropic ring is just visible in positive angles although the other parts of parametric scattering pattern can be visible from behind and in front of the crystal. In addition to steady state pattern in forward and backward directions, its transient behavior with the rotation of crystal has been studied. The results of experiments have been analyzed carefully, and their theoretical explanations have been presented based on the standard theory of parametric scattering in photorefractive crystals. It has been shown that this configuration corresponds to the so called parametric B-process scattering.     

Optical bistability by two laser beams in photorefractive crystals

For a nonlinear medium, a given incident laser beam may produce different transmitted light waves. This phenomenon (the so-called optical bistability) corresponds to multiple solutions of the boundary value problems of the nonlinear Helmholtz equation. Optical bistability can be useful in the design of optical switches. Devices that display this behavior could potentially play a major role in the development of optical communication systems and computing. In this article we present experimental results concerning the optical bistability in photorefractive BaTiO₃:Fe crystal. Two laser beams were used to interact with the photorefractive crystal which resulted in the bistability of the intensity of transmitted wave. This was achieved without the application of any optical resonator. High contrast optical bistability is found experimentally in the pump-ratio dependence of the output intensity.     

Numerical simulation of a Gaussian beam profile passing through a Kerr medium

The circular Gaussian beam shape has been simulated by numerical evaluation on beam shape based on z-scan method through beam radius. This method is useful in many studies such as z-scan experiments. The validity of the relation between peak and valley separation in close aperture data and the diffraction length of the beam has been investigated by this method for some real cases. The results are in good agreement with the experimental studies.     

How to Turn All Lights Out

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How to Turn All Lights Out

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Niobium oxide solid catalyst: esterification of fatty acids and modeling for biodiesel production

Biodiesel can be obtained from fatty acid raw materials through esterification. The reactivity of lauric, palmitic, stearic, oleic, and linoleic fatty acids with methanol using powdered niobic acid as a heterogeneous catalyst was investigated in this work, both experimentally (in a batch reactor) and theoretically. A 2³ experimental design was used, with methanol/fatty acid molar ratio, catalyst concentration, and temperature as main factors. An empirical model demonstrated that temperature is the most important variable. Fourteen heterogeneous and 56 homogeneous‐like kinetic models were tested. A homogeneous‐like model considering zero order for all species and inhibition by water was the most adequate for experiments without catalyst. A homogeneous‐like model considering a second‐order reaction in relation to the fatty acid and no water inhibition was the most adequate for niobic acid catalyzed reaction. Molecular modeling confirmed the experimental results showing that the reactivity is directly related to the increase of unsaturated bonds and the reduction of carbon chain length. The polarity of the fatty acid is determinant in the reactivity. At the molecular level, reaction occurs between the HOMO orbital of methanol and LUMO orbitals of fatty acids and reactivity is higher when the energy difference between these orbitals is lower. Copyright © 2010 John Wiley & Sons, Ltd.