Synthesis and Characterization of Fumarate Copolyesters for Use in Bioresorbable Bone Cement Compositions

Unsaturated amorphous copolyesters of varied composition were prepared by transesterification copolymerization of diethyl fumarate, and two diols, 1,2‐propanediol and 2‐methyl‐1,3‐propanediol. The copolyesters were characterized by IR, ¹H‐ and ¹³C‐NMR, GPC, DSC, and TGA. The glass transition is changing with composition from 0°C to 19°C as the content of 1,2‐propanediol residue in the copolyester increases. The copolyester structure and composition have an impact on the compressive strength and hydrolytic stability of the composites prepared by crosslinking the fumarate double bonds with N‐vinyl pyrrolidone in the presence of inorganic filler, calcium sulfate dihydrate, with the addition of a radical initiator, benzoyl peroxide, at ambient temperatures.     

Mononukleare Kupfer(II)‐Komplexe von dioxaalkylenund alkylenverbrückten Bis‐isoharnstoffen

Mononuclear Copper(II) Complexes of Dioxaalkylene and Alkylene Bridged Bis‐isoureas By reaction of N‐benzoylthiocarbamic‐O,S‐diethylester with primary diamines (oxa)alkylene bridged isoureas 1 have been prepared. They yield with Cu^II neutral chelates 2 with tetradentate ligand coordination. The structures of the ligand 1 a and of the related Cu^II complex 2 a have been determined by X‐ray crystal structure analysis. They show an enamine tautomer in the ligand and a slightly tetrahedrally distorted coordination with an (oxa)alkylene bridge between the trans arranged N ligator atoms in the complex.     

Subjective Evaluation of Discomfort in Sitting Positions

We study the modelling of the subjective sensation of discomfort for subjects seated during a long time, in terms of local discomforts. The methodology uses fuzzy measures and integrals in a multicriteria decision making process, which enables the modelling of complex interaction between variables. Results of the experiment are detailed, giving models with respect to different kinds of discomfort, and to different macro-zones of the body.     

Cluster ions in the secondary ion mass spectrometry of choline and acetylcholine halides

Liquid secondary ion mass spectra of choline and acetylcholine halides exhibit several series of cluster ions whose origins were investigated using B/E and B²/E linked-scan techniques. In the case of choline halides three series of cluster ions were identified as (Me₃$ \mathop {\rm N}\limits^ + $CH₂CH₂OH + nM), (Me₃$ \mathop {\rm N}\limits^ + $CH₂CH₂OMe + nM) and (Me₃N$ \mathop {\rm N}\limits^ + $CH₂CH₂OH · Me₃$ \mathop {\rm N}\limits^ + $CH₂CH₂O^? + nM), while (CH₃COOCH₂CH₂$ \mathop {\rm N}\limits^ + $Me₃ + nM), (Me₃$ \mathop {\rm N}\limits^ + $CH₂CH₂OH + nM) and (CH₂ = CH$ \mathop {\rm N}\limits^ + $Me₃ + nM) were observed in the spectra of acetylcholine halides. For these cluster ions, bimolecular reactions induced on ion bombardment under secondary ion mass spectrometric conditions are discussed.     

Volatile Compounds of Lemon and Grapefruit IntegroPectin

An HS-SPME GC-MS analysis of the volatile compounds adsorbed at the outer surface of lemon and grapefruit pectins obtained via the hydrodynamic cavitation of industrial waste streams of lemon and grapefruit peels in water suggests important new findings en route to understanding the powerful and broad biological activity of these new pectic materials. In agreement with the ultralow degree of esterification of these pectins, the high amount of highly bioactive α-terpineol and terpinen-4-ol points to limonene (and linalool) decomposition catalyzed by residual citric acid in the citrus waste peel residue of the juice industrial production.     

On solving a large-scale problem on facility location and customer assignment with interaction costs along a time horizon

A 0-1 quadratic programming model is presented for solving the strategic problem of timing the location of facilities and the assignment of customers to facilities in a multi-period setting. It is assumed that all parameters are known and, on the other hand, the quadratic character of the objective function is due to considering the interaction cost incurred by the joint assignment of customers belonging to different categories to a facility at a period. The plain use of a state-of-the-art MILP engine with capabilities for dealing with quadratic terms does not give any advantage over the matheuristic algorithm proposed in this work. In fact, the MILP engine was frequently running out of memory before reaching optimality for the equivalent mixed 0-1 linear formulation, being its best lower bound at that time instant too far from the incumbent solution for the large-sized instances which we have worked with. As an alternative, a fix-and-relax algorithm is presented. A deep computational comparison between MILP alternatives is performed, such that fix-and-relax provides a solution value very close to (and, frequently, a better than) the one provided by the MILP engine. The time required by fix-and-relax is very affordable, being frequently two times smaller than the time required by the MILP engine.     

Influence of hydration and crosslinking in transdermal delivery of nicotine from chitosan-based gels by thermal analysis

Chitosan is a biopolymer that forms hydrogels after swell in acid medium. The environment of the three-dimensional network of the chitosan-based hydrogels can be modified by its degree of swelling and crosslinking. In this way, nicotine was incorporated in the hydrogel formulations, with or without crosslinking with glutaraldehyde (0.01%), in different swollen states. Transdermal delivery of nicotine by chitosan-based hydrogels was studied in order to achieve the prolonged administration of the drug. Thermal analysis indicated a preliminary stability of these formulations, and the mechanism of drug release from hydrogels was dependent of the swelling degree and crosslinking. These formulations were able to control the transdermal flux of nicotine for up to 48 h following zero-order kinetics. The hydrogels with higher amounts of water or the partially dried crosslinked hydrogels reduced the partition of nicotine into the skin, leading to a minor transdermal flux of the drug (<3.4 µg cm⁻² h⁻¹). On the other hand, the partially dried non-crosslinked hydrogels lead to a major transdermal flux of the drug (20.19 µg cm⁻² h⁻¹) due to modifications of the environment into the hydrogel. In this way, these transdermal formulations were promising vehicles for prolonged administration of nicotine.

     

Liquid mixtures of xenon with fluorinated species: xenon + sulfur hexafluoride

The vapor-liquid equilibrium of binary mixtures of xenon + SF6 has been measured at nine temperatures from 235.34 to 295.79 K and pressures up to 6.5 MPa. The mixture critical line is found to be continuous between the critical points of the pure components, and hence, the system can be classified as type I phase behavior in the scheme of van Konynenburg and Scott. The excess Gibbs free energies have been calculated, and the experimental results have been interpreted using the statistical associating fluid theory for potentials of variable range (SAFT-VR). Additionally, the SAFT-VR equation has been used to model other systems involving SF6 and alkanes, illustrating the predictability of the approach and further demonstrating the transferability of parameters between binary mixtures involving alkanes and xenon.