A volatolomic approach using cerumen as biofluid to diagnose bovine intoxication by Stryphnodendron rotundifolium

An innovative volatolomic approach employs the detection of biomarkers present in cerumen (earwax) to identify cattle intoxication by Stryphnodendron rotundifolium Mart., Fabaceae (popularly known as barbatimão). S. rotundifolium is a poisonous plant with the toxic compound undefined and widely distributed throughout the Brazilian territory. Cerumen samples from cattle of two local Brazilian breeds (‘Curraleiro Pé-Duro’ and ‘Pantaneiro’) were collected during an experimental intoxication protocol and analyzed using headspace (HS)/GC–MS followed by multivariate analysis (genetic algorithm for a partial least squares, cluster analysis, and classification and regression trees). A total of 106 volatile organic metabolites were identified in the cerumen samples of bovines. The intoxication by S. rotundifolium influenced the cerumen volatolomic profile of the bovines throughout the intoxication protocol. In this way, it was possible to detect biomarkers for cattle intoxication. Among the biomarkers, 2-octyldecanol and 9-tetradecen-1-ol were able to discriminate all samples between intoxicated and nonintoxicated bovines. The cattle intoxication diagnosis by S. rotundifolium was accomplished by applying the cerumen analysis using HS/GC–MS, in an easy, accurate, and noninvasive way. Thus, the proposed bioanalytical chromatography protocol is a useful tool in veterinary applications to determine this kind of intoxication.     

GDME-based methodology for the determination of free formaldehyde in cosmetics and hygiene products containing formaldehyde releasers

Analytical and Bioanalytical Chemistry - Formaldehyde is often applied in the industrial production of different products, such as textiles, insulation materials, or cosmetics, due to its...     

Synthesis and conformational investigation of tetrapeptide analogues of the fragment B23-B26 of insulin

Tetrapeptides containing one of a set of four different α,α-dialkyl glycines at the C-terminus were synthesized by conventional methods in solution and their conformational behavior investigated by ¹H NMR spectroscopy in connection with molecular mechanics calculations. The results were consistent with conformations stabilized by a γ-turn in the case of compounds with alkyl groups larger than methyl, while the corresponding Aib derivative did not exhibit intramolecular hydrogen bonding.     

On Hyperbolic Variational Inequalities of First Order and Some Applications

This paper presents further developments in the study of strong solutions and their coincidence sets to the obstacle problem for linear transport operators. Under natural mild assumptions, the strong convergence of the solutions and the characteristic functions of their coincidence sets is obtained in the passage of second order to first order problems. An application to a steady-state chemotaxis problem is given. The extension to the two obstacles problem of first order is also presented, having in view an application to a porous media model in presence of saturation arising in petroleum engineering.     

New heuristics for over-constrained flight to gate assignments

We consider the over-constrained Airport Gate Assignment Problem where the number of flights exceed the number of gates available, and where the objectives are to minimize the number of ungated flights and the total walking distances. The problem is formulated as a binary quadratic programming problem. We design a greedy algorithm and use a Tabu Search meta-heuristic to solve the problem. The greedy algorithm minimizes ungated flights while we devise a new neighbourhood search technique, the Interval Exchange Move, which allows us flexibility in seeking good solutions, especially when flight schedules are dense in time. Experiments conducted give good results.     

Crossdocking—JIT scheduling with time windows

In this paper, we study a problem central to crossdocking that aims to eliminate or minimize storage and order picking activity using JIT scheduling. The problem is modelled naturally as a machine scheduling problem. As the problem is NP-hard, and for real-time applications, we designed and implemented two heuristics. The first uses Squeaky Wheel Optimization embedded in a Genetic Algorithm and the second uses Linear Programming within a Genetic Algorithm. Both heuristics offer good solutions in experiments where comparisons are made with the CPLEX solver.     

Dirac-Hestenes spinor fields on Riemann-Cartan manifolds

In this paper we study Dirac-Hestenes spinor fields (DHSF) on a four-dimensional Riemann-Cartan spacetime (RCST). We prove that these fields must be defined as certain equivalence classes of even sections of the Clifford bundle (over the RCST), thereby being certain particular sections of a new bundle named the spin-Clifford bundle (SCB). The conditions for the existence of the SCB are studied and are shown to be equivalent to Geroch's theorem concerning the existence of spinor structures in a Lorentzian spacetime. We introduce also the covariant and algebraic Dirac spinor fields and compare these with DHSF, showing that all three kinds of spinor fields contain the same mathematical and physical information. We clarify also the notion of (Crumeyrolle's) amorphous spinors (Dirac-Kähler spinor fields are of this type), showing that they cannot be used to describe fermionic fields. We develop a rigorous theory for the covariant derivatives of Clifford fields (sections of the Clifford bundle, CB) and of Dirac-Hestenes spinor fields. We show how to generalize the original Dirac-Hestenes equation in Minkowski spacetime for the case of RCST. Our results are obtained from a variational principle formulated through the multiform derivative approach to Lagrangian field theory in the Clifford bundle.     

Reorientational relaxation and rotational–translational coupling in water clusters in a d.c. external electric field

Molecular dynamics simulations have been carried out for small water clusters (N=16, 32, 64) in a d.c. electric field at T=200 K. It was shown that for relatively weak fields, there was a significant decrease of reorientational and structural relaxation times for all cluster sizes examined. Regarding the molecular reorientational motions, in the strong field regime, a decoupling of tumbling and spinning librations was observed. Reorientational relaxation times of the dipole and vector joining the two hydrogen atoms were found to follow different relaxation laws, with the former decreasing and the latter increasing with electric field increase. These trends were qualitatively explained by invoking the Debye model with field-dependent friction for dipole librations and the symmetric double-well for spinning rotations on a plane perpendicular to the field axis. Finally, the interdependence of the reorientation on the translational modes of the cluster was indicated, with the translationally slow molecules being rotationally slow as well and vice versa.