An Interactive Method for 0-1 Multiobjective Problems Using Simulated Annealing and Tabu Search

This paper presents an interactive method for solving general 0-1 multiobjective linear programs using Simulated Annealing and Tabu Search. The interactive protocol with the decision maker is based on the specification of reservation levels for the objective function values. These reservation levels narrow the scope of the search in each interaction in order to identify regions of major interest to the decision maker. Metaheuristic approaches are used to generate potentially nondominated solutions in the computational phases. Generic versions of Simulated Annealing and Tabu Search for 0-1 single objective linear problems were developed which include a general routine for repairing unfeasible solutions. This routine improves significantly the results of single objective problems and, consequently, the quality of the potentially nondominated solutions generated for the multiobjective problems. Computational results and examples are presented.     

Crystal structure and theoretical calculations of Julocrotine,a natural product with antileishmanial activity

Julocrotine, N‐(2,6‐dioxo‐1‐phenethyl‐piperidin‐3‐yl)‐2‐methyl‐butyramide, is a potent antiproliferative agent against the promastigote and amastigote forms of Leishmania amazonensis (L.). In this work, the crystal structure of Julocrotine was solved by X‐ray diffraction, and its geometrical parameters were compared with theoretical calculations at the B3LYP and HF level of theory. IR and NMR spectra also have been obtained and compared with theoretical calculations. IR absorptions calculated with the B3LYP level of theory employed together with the 6‐311G+(d,p) basis set, are close to those observed experimentally. Theoretical NMR calculations show little deviation from experimental results. The results show that the theory is in accordance with the experimental data. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

New integer programming formulations and an exact algorithm for the ordered cutting stock problem

Apart from trim loss minimization, there are many other issues concerning cutting processes that arise in real production systems. One of these is related to the number of stacks that need to be opened near the cutting machines. Many researchers have worked in the last years on cutting stock problems with additional constraints on the number of open stacks. In this paper, we address a related problem: the Ordered Cutting Stock Problem (OCSP). In this case, a stack is opened for every new client's order, and it is closed only when all the items of that order are cut. The OSCP has been introduced recently in the literature. Our aim is to provide further insight into this problem. This paper describes three new integer programming formulations for solving it, and an exact algorithm based on column generation, branch-and-bound and cutting planes. We report on computational experiments on a set of random instances. The results show that good lower bounds can be computed quickly, and that optimal solutions can be found in a reasonable amount of time.     

Fractal geometry concerned with stable and dynamic fracture mechanics

Fractal modeling of the rugged crack geometry is considered for the stable and dynamic fracture mechanics characterizing the morphology of a fracture surface and the influence of its growth. It is shown that the fractal dimension has a strong influence on the rising of the R-curve in brittle materials. For the unstable Griffith–Mott’s approach or dynamical crack growth the fractal dimension has a strong influence on the velocity limit of the crack growth. It is also shown that the limit of crack velocity lowers with increasing surface ruggedness (higher fractal dimension D = 2 − H) explaining the intangibility of the Rayleigh wave velocity by the cracks.     

Nitric oxide-dependent pigment migration induced by ultraviolet radiation in retinal pigment cells of the crab Neohelice granulata

The purpose of this study was to verify the occurrence of pigment dispersion in retinal pigment cells exposed to UVA and UVB radiation, and to investigate the possible participation of a nitric oxide (NO) pathway. Retinal pigment cells from Neohelice granulata were obtained by cellular dissociation. Cells were analyzed for 30 min in the dark (control) and then exposed to 1.1 and 3.3 J cm⁻² UVA, 0.07 and 0.9 J cm⁻² UVB, 20 n m β-PDH (pigment dispersing hormone) or 10 μ m SIN-1 (NO donor). Histological analyses were performed to verify the UV effect in vivo . Cultured cells were exposed to 250 μ m L-NAME (NO synthase blocker) and afterwards were treated with UVA, UVB or β-PDH. The retinal cells in culture displayed significant pigment dispersion in response to UVA, UVB and β-PDH. The same responses to UVA and UVB were observed in vivo . SIN-1 did not induce pigment dispersion in the cell cultures. l-NAME significantly decreased the pigment dispersion induced by UVA and UVB but not by β-PDH. All retinal cells showed an immunopositive reaction against neuronal nitric oxide synthases. Therefore, UVA and UVB radiation are capable of inducing pigment dispersion in retinal pigment cells of Neohelice granulata and this dispersion may be nitric oxide synthase dependent.     

Crosslink effect and albumin adsorption onto chitosan/alginate multilayered systems: an in situ QCM-D study

The adsorption of HSA onto CHI/ALG multilayer assemblies was assessed in situ using QCM-D. It was found that the behavior of HSA on biomaterials surface can be tuned by adjusting parameters of the polyelectrolyte system such as pH, layer number, crosslinker and polymer terminal layer. Our results confirmed the key role of electrostatic interactions during HSA adsorption, since oppositely charged surfaces were more effective in promoting protein adhesion. QCM-D data revealed that crosslinking (CHI/ALG)(5) CHI films allows HSA to become adsorbed in physiological conditions. Our results suggested that the biological potential of biopolymers and the mild conditions of the LbL technique turn these natural nanoassemblies into a suitable choice to be used as pH-sensitive coatings.     

Determination of amylose content in starch using Raman spectroscopy and multivariate calibration analysis

Fourier transform Raman spectroscopy and chemometric tools have been used for exploratory analysis of pure corn and cassava starch samples and mixtures of both starches, as well as for the quantification of amylose content in corn and cassava starch samples. The exploratory analysis using principal component analysis shows that two natural groups of similar samples can be obtained, according to the amylose content, and consequently the botanical origins. The Raman band at 480 cm^?1, assigned to the ring vibration of starches, has the major contribution to the separation of the corn and cassava starch samples. This region was used as a marker to identify the presence of starch in different samples, as well as to characterize amylose and amylopectin. Two calibration models were developed based on partial least squares regression involving pure corn and cassava, and a third model with both starch samples was also built; the results were compared with the results of the standard colorimetric method. The samples were separated into two groups of calibration and validation by employing the Kennard-Stone algorithm and the optimum number of latent variables was chosen by the root mean square error of cross-validation obtained from the calibration set by internal validation (leave one out). The performance of each model was evaluated by the root mean square errors of calibration and prediction, and the results obtained indicate that Fourier transform Raman spectroscopy can be used for rapid determination of apparent amylose in starch samples with prediction errors similar to those of the standard method.

Moreau–Yosida Regularization of Maximal Monotone Operators of Type (D)

We propose a Moreau–Yosida regularization for maximal monotone operators of type (D), in non-reflexive Banach spaces. It generalizes the classical Moreau–Yosida regularization as well as Brezis–Crandall–Pazy’s extension of this regularization to strictly convex (reflexive) Banach spaces with strictly convex duals. Our main results are obtained by making use of recent results by the authors on convex representations of maximal monotone operators in non-reflexive Banach spaces.