Global existence and exponential stability for a contact problem between two thermoelastic beams

In this paper we analyze a dynamic unilateral contact problem between two thermoelastic beams. We establish the existence of a weak global-in-time solution, by a penalization method. Moreover, we study the asymptotic behavior of such a solution proving that the energy associated to the system decays exponentially to zero, as time goes to infinity.     

FTIR microspectroscopy of melanocytic skin lesions: a preliminary study

Fourier transform infrared (FTIR) microspectroscopy has been employed to investigate benign (ordinary dermal and Reed nevi), dysplastic and malignant (invasive melanoma) skin lesions through the analysis of spectral changes of melanocytes as well as in the evaluation of the presence of melanin. Hierarchical cluster analysis and principal component analysis led to a satisfactory separation of malignant from dysplastic and normal melanocytes. Also, on enlarging the clustering with spectra from Reed and dermal nevi, the multivariate analysis segregated well the spectral data into discrete clusters, allowing the obtaining of reliable average spectra for analysis at the molecular level of the main groups or components responsible for the biological and biochemical changes. The most significant spectral characteristics appear to be related to differences in secondary protein structures, in nucleic acid conformation, in intra- and intermolecular bonding. In all cases, supervised and unsupervised spectral analyses resulted in satisfactory agreement with histopathological findings.     

Polymer supported calixarene derivative useful for solid-phase synthesis application

A calix[4]arene derivative has been anchored to carboxyl CPG and TentaGel supports by an easily cleavable ester bond and DMT groups allow a simple loading evaluation via UV-vis spectroscopy. The loading of the calixarene on TentaGel resin has also been estimated by HR-MAS NMR experiments. The potential of the polymer supported calixarenes (9 and 10) in solid phase synthesis has been tested by condensation of four thymine nucleotide units onto the upper rim of the calix[4]arene skeleton.     

Polynomial cases of the economic lot sizing problem with cost discounts

In this paper we study the economic lot sizing problem with cost discounts. In the economic lot sizing problem a facility faces known demands over a discrete finite horizon. At each period, the ordering cost function and the holding cost function are given and they can be different from period to period. There are no constraints on the quantity ordered in each period and backlogging is not allowed. The objective is to decide when and how much to order so as to minimize the total ordering and holding costs over the finite horizon without any shortages. We study two different cost discount functions. The modified all-unit discount cost function alternates increasing and flat sections, starting with a flat section that indicates a minimum charge for small quantities. While in general the economic lot sizing problem with modified all-unit discount cost function is known to be NP-hard, we assume that the cost functions do not vary from period to period and identify a polynomial case. Then we study the incremental discount cost function which is an increasing piecewise linear function with no flat sections. The efficiency of the solution algorithms follows from properties of the optimal solution. We computationally test the polynomial algorithms against the use of CPLEX.     

Fluctuations of the second order observables for dissipative processes in 19F+27Al system

The excitation function (EF) data for dissipative processes in ¹⁹F + ²⁷Al system in the incident energy interval from 113.5 to 130 MeV are used to obtain the dependence of the charge variance and of the interaction time as a function of the incident energy. Fluctuations are observed in the EFs of both these secondary observables. Their correlation is supported by a mechanism based on stochastic exchange of nucleons.     

Rounding Error Analysis in Solving M-Matrix Linear Systems of Block Hessenberg Form

The problem of solving large M-matrix linear systems with sparse coefficient matrix in block Hessenberg form is here addressed. In previous work of the authors a divide-and-conquer strategy was proposed and a backward error analysis of the resulting algorithm was presented showing its effectiveness for the solution of computational problems of queueing theory and Markov chains. In particular, it was shown that for block Hessenberg M-matrices the algorithm is weakly backward stable in the sense that the computed solution is the exact solution of a nearby linear system, where the norm of the perturbation is proportional to the condition number of the coefficient matrix. In this note a better error estimate is given by showing that for block Hessenberg M-matrices the algorithm is even backward stable.     

Molecular dynamics simulations of the adsorption of bone morphogenetic protein-2 on surfaces with medical relevance

Bone morphogenetic protein-2 (BMP-2) plays a crucial role in osteoblast differentiation and proliferation. Its effective therapeutic use for ectopic bone and cartilage regeneration depends, among other factors, on the interaction with the carrier at the implant site. In this study, we used classical molecular dynamics (MD) and a hybrid approach of steered molecular dynamics (SMD) combined with MD simulations to investigate the initial stages of the adsorption of BMP-2 when approaching two implant surfaces, hydrophobic graphite and hydrophilic titanium dioxide rutile. Surface adsorption was evaluated for six different orientations of the protein, two end-on and four side-on, in explicit water environment. On graphite, we observed a weak but stable adsorption. Depending on the initial orientation, hydrophobic patches as well as flexible loops of the protein were involved in the interaction with graphite. On the contrary, BMP-2 adsorbed only loosely to hydrophilic titanium dioxide. Despite a favorable interaction energy between protein and the TiO(2) surface, the rapid formation of a two-layer water structure prevented the direct interaction between protein and titanium dioxide. The first water adlayer had a strong repulsive effect on the protein, while the second attracted the protein toward the surface. For both surfaces, hydrophobic graphite and hydrophilic titanium dioxide, denaturation of BMP-2 induced by adsorption was not observed on the nanosecond time scale.     

Interaction of cationic liposomes with cell membrane models

The colloidal dispersion stability of nano-sized graphene sheets in supercritical fluid (SCF) media is very important for developing SCF-based exfoliation and dispersion technologies for stabilization and solubilization of graphenes. We carried out molecular dynamics simulations to elucidate the stability mechanism of graphene in supercritical CO(2) (scCO(2)). The potential of mean force (PMF) between two graphene nanosheets in scCO(2) was simulated, and the effect of scCO(2) density and temperature on the PMF behavior has been investigated. The simulation results demonstrate that there exists a free energy barrier between graphenes in the scCO(2) fluid, possibly obstructing the aggregation of graphenes. The single-layer confined CO(2) molecules between the graphene sheets can induce a dominating repulsion interaction between graphene sheets. At higher scCO(2) fluid density, there are more confined CO(2) molecules within the interplate regions, resulting in a stronger repulsive free energy barrier. The effect of temperature on the PMF is relatively minor. The scCO(2) solvent structure shows layered confined arrangement in the interfacial region near the graphene nanosheets, which is correlated well with the PMF profile curve.