Surface activity of thymol: implications for an eventual pharmacological activity

In the present work, we studied the ability of thymol to affect the organization of model membranes and the activity of an intrinsic membrane protein, the GABA(A) receptor (GABA(A)-R). In this last aspect, we tried to elucidate if the action mechanism of this terpene at the molecular level, involves its binding to the receptor protein, changes in the organization of the receptor molecular environment, or both. The self-aggregation of thymol in water with a critical micellar concentration approximately = 4 microM and its ability to penetrate in monomolecular layers of soybean phosphatidylcholine (sPC) at the air-water interface, even at surface pressures above the equilibrium, lateral pressure of natural bilayers were demonstrated. Thymol affected the self-aggregation of Triton X-100 and the topology of sPC vesicles. It also increased the polarity of the membrane environment sensed by the electrochromic dye merocyanine. A dipolar moment of 1.341 Debye was calculated from its energy-minimized structure. Its effect on the binding of [3H]-flunitrazepam ([3H]-FNZ) to chick brain synaptosomal membranes changed qualitatively from a tendency to the inhibition to a clear activatory regime, up on changing the phase state of the terpene (from a monomeric to a self-aggregated state). Above its CMC, thymol increased the affinity of the binding of [3H]-FNZ (K(d-control)= 2.9, K(d-thymol)= 1.7 nM) without changing the receptor density (B(max-control)= 910, B(max-thymol)= 895 fmol/mg protein). The activatory effect of thymol on the binding of [ [3H]-FNZ was observed even in the presence of the allosteric activator gamma-aminobutyric acid (GABA) at a concentration of maximal activity, and was blocked by the GABA antagonist bicuculline. Changes in the dipolar arrangement and in the molecular packing of GABA(A)-R environment are discussed as possible mediators of the action mechanism of thymol.     

TS-1 zeolite microengineered reactors for 1-pentene epoxidation

A zeolite-based microengineered reactor was fabricated and tested for 1-pentene epoxidation over titanium silicalite-1 (TS-1) catalyst, which has been selectively incorporated within the microreactor channel using a new synthesis procedure.     

Coupled boundary element method and finite difference method for the heat conduction in laser processing

This paper is presented as a way to model transient heat conduction in a 3-D axisymmetric case where large rates of heat fluxes are applied on the surfaces as done in the case of laser processing. This would result in large temperature gradients in a small area irradiated by the laser on the incident surface that could also reach melting and subsequent vaporization. BEM can handle large fluxes very easily and it also can be formulated if needed to incorporate the moving boundary problem in a unique manner while on the other hand FDM is a fast and efficient method. For these reasons a coupled BEM–FDM method is formulated to simulate the heat conduction process. In the BEM method linear elements for the boundary and quadratic elements for the domain were used. The integrals in BEM were integrated in time using the asymptotic expansion for the modified Bessel functions in the Green’s function. To further improve the accuracy, special techniques were employed in the spatial integration. As for the FDM formulation, a flux conservation scheme with a 4th order formula for the fluxes was used. The FDM and BEM were coupled at the interface by the temperature from the FDM formulation being imposed on the BEM and the flux from the BEM being utilized by the FDM elements near to the interface. To advance in time, the Crank–Nicholson scheme was used on the FDM directly and due to coupling indirectly on the BEM. The relative errors for the simulation of constant and variable flux cases demonstrate the successful nature of the numerical model.     

Convenient synthesis of Cu3(BTC)2 encapsulated Keggin heteropolyacid nanomaterial for application in catalysis

Nanomaterial of Cu(3)(BTC)(2) (BTC = benzene tricarboxylic acid) incorporating Keggin heteropolyacid conveniently prepared at room temperature and recovered by freeze drying outperforms ultrastable Y zeolite in acid catalysed esterification reaction.     

Cloning, Sequencing, and Identification Using Proteomic Tools of a Protease from Bromelia hieronymi Mez

Fruits of Bromelia hieronymi, a tropical South American plant, possess a high content of peptidases with potential biotechnological uses. Total RNA was extracted from unripe fruits and peptidase cDNA was obtained by 3'RACE-PCR. The consensus sequence of the cysteine peptidase cDNA contained 875 bp, the 690 first ones codifying for a hypothetical polypeptide chain of the mature peptidase, named Bh-CP1 (molecular mass 24.773 kDa, pI 8.6, extinction molar coefficient 58,705 M(-1) cm(-1)). Bh-CP1 sequence shows a high percentage of identity with those of other cysteine plant proteases. The presence of highly preserved residues is observed, like those forming the catalytic site (Gln19, Cys25, His159, and Asn175, papain numbering), as well as other six Cys residues, involved in the formation of disulfide bounds. Molecular modeling results suggest the enzyme belongs to the α?+?β class of proteins, with two disulfide bridges (Cys23-Cys63 and Cys57-Cys96) in the α domain, while the β domain is stabilized by another disulfide bridge (Cys153-Cys203). Additionally, peptide mass fingerprints (PMFs) of the three peptidases previously isolated from B. hieronymi fruits (namely hieronymain I, II, and III) were performed and compared with the theoretical fingerprint of PMF of Bh-CP1, showing a partial matching between the in silico-translated protein and hieronymain II.     

Selection of phage-displayed antibodies with high affinity and specificity by electrophoresis in microfluidic devices

A method development aimed for high-throughput and automated antibody screening holds great potential for areas ranging from fundamental molecular interactions to the discovery of novel disease markers, therapeutic targets, and monoclonal antibody engineering. Surface display techniques enable efficient manipulation of large molecular libraries in small volumes. Specifically, phage display appeared as a powerful technology for selecting peptides and proteins with enhanced, target-specific binding affinities. Here, we present a phage-selection microfluidic device wherein electrophoresis was performed under two orthogonal electric fields through an agarose gel functionalized with the respective antigen. This microdevice was capable of screening and sorting in a single round high-affinity phage-displayed antibodies against virus glycoproteins, including human immunodeficiency virus-1 glycoprotein 120 or the Ebola virus glycoprotein (EBOV-GP). Phages were differentially and laterally swept depending on their antigen affinity; the high-affinity phages were recovered at channels proximal to the application site, whereas low-affinity phages migrated distal after electrophoresis. These experiments proved that the microfluidic device specifically designed for phage-selection is rapid, sensitive, and effective. Therefore, this is an efficient and cost-effective method that allowed highly controlled assay conditions for isolating and sorting high-affinity ligands displayed in phages.     

Multifunctional carbon-coated magnetic sensing graphene oxide-cyclodextrin nanohybrid for potential cancer theranosis

Journal of Nanoparticle Research - Over the last years, an environmentally friendly and economically efficient way of nanoparticle production has been found in the biosynthesis of metal...     

Numerical study of magnetohydrodynamic viscous plasma flow in rotating porous media with Hall currents and inclined magnetic field influence

A numerical solution is developed for the viscous, incompressible, magnetohydrodynamic flow in a rotating channel comprising two infinite parallel plates and containing a Darcian porous medium, the plates lying in the x–z plane, under constant pressure gradient. The system is subjected to a strong, inclined magnetic field orientated to the positive direction of the y-axis (rotational axis, normal to the x–z plane). The Navier–Stokes flow equations for a general rotating hydromagnetic flow are reduced to a pair of linear, viscous partial differential equations neglecting convective acceleration terms, for primary velocity (u′) and secondary velocity (v′) where these velocities are directed along the x and y axes. Only viscous terms are retained in the momenta equations. The model is non-dimensionalized and shown to be controlled by a number of dimensionless parameters. The resulting dimensionless ordinary differential equations are solved using a robust numerical method, Network Simulation Methodology. Full details of the numerics are provided. The present solutions are also benchmarked against the analytical solutions presented recently by Ghosh and Pop [Ghosh SK, Pop I. An analytical approach to MHD plasma behaviour of a rotating environment in the presence of an inclined magnetic field as compared to excitation frequency. Int J Appl Mech Eng 2006;11(4):845–856] for the case of a purely fluid medium (infinite permeability). We study graphically the influence of Hartmann number (Ha, magnetic field parameter), Ekman number (Ek, rotation parameter), Hall current parameter (Nh), Darcy number (Da, permeability parameter), pressure gradient (Np) and also magnetic field inclination (θ) on primary and secondary velocity fields. Additionally we investigate the effects of these multiphysical parameters on the dimensionless shear stresses at the plates. Both primary and secondary velocity are seen to be increased with a rise in Darcy number, owing to a simultaneous reduction in Darcian drag force. Primary velocity is seen to decrease with an increase in Hall current parameter (Nh) but there is a decrease in secondary velocity. The study finds important applications in magnetic materials processing, hydromagnetic plasma energy generators, magneto-geophysics and planetary astrophysics.