Models and methods for frequency assignment with cumulative interference constraints

In this paper, a realistic modeling of interferences for frequency assignment in hertzian telecommunication networks is presented. In contrast with traditional interference models based only on binary interference constraints involving two frequencies, this new approach considers the case of cumulative disruptions that are modeled through a unique non‐binary constraint. To deal with these complex constraints, we propose extensions of classical integer linear programming formulations. On a set of realistic instances, we propose hybrid constraint programming and large neighborhood search solution methods to solve minimum interference and minimum span frequency assignment problems. We compare their performances with those of existing heuristics. Finally, we show how the end‐user benefits from using the cumulative model instead of the traditional one.     

Plasmon excitation and electron promotion in the interaction of slow Na ions with Al surfaces

We studied the energy distributions of electrons emitted in the interaction of slow Na⁺ ions with polycrystalline Al surfaces. To study sub-threshold plasmon excitation we performed measurements as a function of emission angle which showed the excitation of bulk plasmons, confirming the kinetic nature of the excitation process.

Electron spectra show narrow transition lines due to Auger decay in vacuum of sodium projectiles excited in the 2p-shell by electron promotion in collisions with Al target atoms. Several previously unidentified transition lines could be attributed to the autoionization of doubly excited projectiles.     

Apoptosis Pathways Triggered by a Potent Antiproliferative Hybrid Chalcone on Human Melanoma Cells

The World Health Organization reported that approximately 324,000 new cases of melanoma skin cancer were diagnosed worldwide in 2020. The incidence of melanoma has been increasing over the past decades. Targeting apoptotic pathways is a potential therapeutic strategy in the transition to preclinical models and clinical trials. Some naturally occurring products and synthetic derivatives are apoptosis inducers and may represent a realistic option in the fight against the disease. Thus, chalcones have received considerable attention due to their potential cytotoxicity against cancer cells. We have previously reported a chalcone containing an indole and a pyridine heterocyclic rings and an α-bromoacryloylamido radical which displays potent antiproliferative activity against several tumor cell lines. In this study, we report that this chalcone is a potent apoptotic inducer for human melanoma cell lines SK-MEL-1 and MEL-HO. Cell death was associated with mitochondrial cytochrome c release and poly(ADP-ribose) polymerase cleavage and was prevented by a non-specific caspase inhibitor. Using SK-MEL-1 as a model, we found that the mechanism of cell death involves (i) the generation of reactive oxygen species, (ii) activation of the extrinsic and intrinsic apoptotic and mitogen-activated protein kinase pathways, (iii) upregulation of TRAIL, DR4 and DR5, (iv) downregulation of p21^Cip1/WAF1 and, inhibition of the NF-κB pathway.     

An Approach to the Analysis of Mixing in Reactive Systems

A simple mixing approach for use in reactive systems is considered. This mixing approach has so far been applied to reburning and selective non‐catalytic reduction (SNCR) processes, two well‐known techniques to reduce NO_x emissions. Detailed kinetic models together with the mixing approaches, based on the work of Zwietering, are used to simulate both the chemistry and mixing of the reactants. Two different configurations for the mixing approach have been considered: the so‐called direct and reverse approach. The study includes a comparison between different experimental results obtained in pilot installations and theoretical results calculated with the present approach.     

Multiwalled carbon nanotubes functionalized with maleated poly(propylene) by a dry mechano-chemical process

Ball milling was used to graft maleated polypropylene (MAPP) on the surface of multiwalled carbon nanotubes (MWCNTs), with a view to preparing MWCNT/polypropylene composites with improved matrix/nanotube compatibility. The occurrence of the grafting reaction was evaluated by FTIR spectroscopy and the yield was quantified by thermogravimetric analysis, as a function of the milling time. Dispersion experiments confirmed the nanotube surface modification of the nanotubes since functionalized MWCNTs remained stably dispersed in an ethanol/xylene solution for more than 48 h after sonication. No evidences of significant structural damage after the mechano-chemical treatment were shown by Raman spectroscopy. Moreover, a layer attributable to the presence of grafted MAPP chains on MWCNT walls was clearly detected by transmission electron microscopy. The average thickness of this amorphous layer was evaluated and compared with quantitative TGA data.     

Bulk polymerization of styrene in presence of polybutadiene: Calculation of molecular macrostructure

In our previous publication the detailed molecular macrostructure generated in a solution polymerization of styrene (St) in the presence of polybutadiene (PB) at 60°C, was theoretically calculated. In this work, an extended kinetic mechanism that incorporates monomer thermal initiation, chain transfer to the rubber, chain transfer to the monomer, and the gel effect is proposed, with the aim of simulating a bulk high-impact polystyrene (HIPS) process. The mathematical model enables the calculation of the bivariate weight chainlength distributions (WCLDs) for the total copolymer and for each of the generated copolymer topologies and the univariate WCLDs for the free polystyrene (PS), the residual PB, and the crosslinked PB topologies. These last topologies are characterized by the number of initial PB chains per molecule; copolymer topologies are characterized by the number of PS and PB chains per molecule. The model was validated with published literature data and with new pilot plant experiments that emulate an industrial HIPS process. The literature data correspond to a dilute solution polymerization at a constant low temperature with chemical initiation and a bulk polymerization at a constant high temperature with thermal initiation. The new experiments consider different combinations of prepolymerization temperature, initiator concentration, and solvent concentration. One of the main conclusions is that most of the initial PB is transformed into copolymer. For example, for a prepolymerization temperature of 120°C with addition of initiator, the experimental measurements indicate that the final total rubber mass is approximately three times higher than the initial PB. Also, according to the model predictions, the final weight fractions are: free PS, 0.778; graft copolymer, 0.220; initial PB, 0.0015; and purely crosslinked PB, 0.0005. The final graft copolymer exhibits the following characteristics: average molecular weights, M _n,C = 492,000 and M _w,C = 976,000; average weight fraction of St, 0.722; and average number of PS and PB branches per molecule, 5.19 and 1.13, respectively. © 1996 John Wiley & Sons, Inc.     

Synthesis of polystyrene with mixtures of mono- and bifunctional initiators

This work studies the bulk and nonisothermic polymerization of styrene (S) using mixtures of mono- and bifunctional initiators. The effects on polymerization rate and on molecular weight averages after changes in the global initiator concentration and in the nature of the initiator mixtures were experimentally and theoretically analyzed. The mathematical model was adapted from the literature to admit initiator mixtures and to simulate the applied temperature profiles. Compared to the standard use of monofunctional initiators, the use of initiator mixtures that include bifunctional initiators presents the advantage of reducing the polymerization time, while not deteriorating the final polymer quality. The simulation program accurately describes the evolution of conversion, but exhibits some deviations with the average molecular weights. © 1996 John Wiley & Sons, Inc.     

Broadening effects in Auger neutralization of 130–430 eV Ar ions at Al surfaces

We present a model for electron emission from Al surfaces by Auger neutralization of 130–430 eV Ar⁺ ions, that includes the singular response of the metal conduction band to the abrupt change of the surface potential caused by electron capture by the incident ion. This effect, previously identified in X-ray studies, produces a broadening that plays a significant role in reproducing the higher energy part of the experimental electron kinetic energy distributions.     

The Hydration of Vanadyl Doped into Magnesium Acetate: Single Crystal Proton ENDOR at 20 K

The single crystal ESR and proton ENDOR of VO²⁺ doped into magnesium acetate tetrahydrate have been studied at 20 K. The VO²⁺ ion occupies Mg²⁺ sites, replacing Mg²⁺ together with one water molecule. Hyperfine tensors for the six protons in the three coordinating water molecules have been determined and their dipolar components used to construct a model of the proton geometry. The relation of the structure to that of {VO(H₂O)₅}²⁺ in a Tutton salt and in frozen aqueous solutions of vanadyl sulphate is discussed.     

Virtual experimentation on cyanobacterial bloom dynamics and its application to a temperate reservoir (Torrão, Portugal)

The objective of this study was to use artificial neural networks to develop a regression model capable of simulating the complexity of events contributing to the development of cyanobacterial blooms in an important potable water supply located in northern Portugal (Torrão Reservoir). This model was produced with environmental variables collected from the reservoir over a 40‐month sampling period. For development of the model, 10 variables were selected from a total group of 18, all with an equal contribution in the final model. The correlations between the predicted and observed values were high (0.970, 0.912 and 0.908 in the training, verification and test sets, respectively). These variables could be grouped into three categories based on their influence on cyanobacterial abundance. In order of decreasing association, these classes were as follows: (i) oxygen stratification; (ii) conductivity, discharge, and minimum air temperature, water evaporation and solar radiation; and (iii) precipitation, phosphate, ammonia, and pH.