On generalized Poisson–Nernst–Planck equations with inhomogeneous boundary conditions: a‐priori estimates and stability

In this paper, we consider the strongly nonlinear Nernst–Planck equations coupled with the quasi‐linear Poisson equation under inhomogeneous, moreover, nonlinear boundary conditions. This system describes joint multi‐component electrokinetics in a pore phase. The system is supplemented by the force balance and by the volume and positivity constraints. We establish well‐posedness of the problem in the variational setting. Namely, we prove the existence theorem supported by the energy and the entropy a‐priori estimates, and we provide the Lyapunov stability of the solution as well as its uniqueness in special cases. Copyright © 2016 John Wiley & Sons, Ltd.     

Heuristic solution approaches for the maximum minsum dispersion problem

The Maximum Minsum Dispersion Problem (Max-Minsum DP) is a strongly NP-Hard problem that belongs to the family of equitable dispersion problems. When dealing with dispersion, the operations research literature has focused on optimizing efficiency-based objectives while neglecting, for the most part, measures of equity. The most common efficiency-based functions are the sum of the inter-element distances or the minimum inter-element distance. Equitable dispersion problems, on the other hand, attempt to address the balance between efficiency and equity when selecting a subset of elements from a larger set. The objective of the Max-Minsum DP is to maximize the minimum aggregate dispersion among the chosen elements. We develop tabu search and GRASP solution procedures for this problem and compare them against the best in the literature. We also apply LocalSolver, a commercially available black-box optimizer, to compare our results. Our computational experiments show that we are able to establish new benchmarks in the solution of the Max-Minsum DP.     

Analysis of dissolution profiles of iron,zinc, and manganese from complex dietary supplements by ion chromatography and chemometrics

Four commercially available formulations containing iron, zinc, and manganese were subjected to dissolution profile testing during 60 min and the dissolution was analyzed by ion chromatography. The obtained curves were analyzed directly by principal component analysis (PCA). The main trend (87.1% of variance) was connected with average dissolution percentage over the investigated time. The second component (11.2% of variance) is connected with shape of dissolution profile. All metals behave in the similar way and the differences were connected with excipients. An additional fit was completed on 12 kinetic models: first order kinetics (4 variants), Higuchi (2 variants), Hixson-Crowell (2 variants), Korsemeyer-Peppas, Logistic (2 variants), Peppas-Sahlin, Quadratic (2 variants), Weibull (3 variants), and Zero order kinetics (2 variants). The ranking of the fitting was performed by Akaike information criteria (AIC) values with additional PCA analysis on them, an approach presented in literature for the first time. The main trend (67.4% of variance) was connected with average fit. The second (14.8% of variance) is connected with differences of fitting ability to investigated dissolution curves. This methodology brought an overall look to trends and variances inside obtained data, both the profile shape and fitting ability to particular models.     

Synthesis of deuterium-labelled substrates for the study of oleuropein biosynthesis in Olea europaea callus cultures

We propose the cell culture approach to investigate oleuropein (1) biogenesis in Olea europaea L. We suggest employing olive callus cultures to identify the iridoidic precursor of oleuropein. In fact, we confirmed that callus cells from olive shoot explants are able to produce key secoiridoid as 1. To enable this approach, we synthesised and characterised deuterium-labelled iridoidic precursors belonging both to the loganin and the 8-epiloganin series. These iridoids are [7,8-²H₂]-7-deoxy-8-epi-loganin (2^D), [8,10-²H₂]-8-epi-loganin (4^D) and [7,8-²H₂]-7-deoxy-loganin (3^D).     

Membranes with a plasma deposited titanium isopropoxide layer

Porous polypropylene membranes were coated with plasma polymerized titanium isopropoxide in a 75 kHz plasma reactor. It was noted that the presence of air in the plasma chamber increased the amount of deposited polymer. Selection of the process parameters enabled obtaining membranes with up to 300 εg cm^?2 of polymerized titanium isopropoxide. Deposition of the titanium oxide layer resulted in the reduction of permeate flux but it significantly improved the membrane photocleaning ability. The recovery index reached the level of 95 % for membranes with the highest amount of the titanium oxide deposit.     

Synthesis and Properties of Complexes of Lead(II), Cadmium(II), and Zinc(II) with N-Phosphonomethylglycine

Summary.  Sparingly water soluble complexes of lead(II), cadmium(II), and zinc(II) with N-phosphonomethylglycine (glyphosate, NPMG) of the general formulae C₃H₆O₅NPPb, C₃H₆O₅NPCdċ2H₂O, and C₃H₆O₅NPZn were synthesized. The complexes were also precipited from a dilute Roundup solution, and their solubility in water was determined. Thermal, diffractometric, and IR spectrophotometric analyses were carried out. It was found that the metal is bonded to glyphosate through the oxygen atoms of the carboxylic and phosphonate groups; metal-nitrogen binding is absent in the above compounds. Studying the complexing behaviour in solution by UV spectrophotometry pointed out that a complex of the composition Pb(II) : NPMG=1:1 with an absorption band at 232 nm is formed. Its stability constant as determined by Job’s method is logK=5.9±0.1. Using potentiometric techniques, the dissociation constant of N-phosphonomethylglycine and the stability constants of its complexes with cadmium (II) and zinc (II) were determined. Received June 30, 1999/Accepted July 21, 1999.     

Monitoring of NO2 in the ambient air with passive samplers before and after a road reconstruction event

Nitrogen dioxide (NO₂) concentrations were used to evaluate the air quality before and after the infrastructural change of an important traffic artery in Mortsel, Antwerp (Belgium). During the reconstruction works two pairs of traffic lanes were reduced to one in each direction. Two sampling campaigns were conducted: the first one before the works in 2003 and the second one in 2005, after the road works were finished. Sampling was performed on a weekly base with the use of passive diffusion tubes on the streets, and also indoors in nearby houses. The samples were analyzed by ion chromatography, from which data the NO₂ concentrations in air could be calculated. These results were compared with NO₂ values from the air monitoring station 42R801 of the Flemish Environment Agency in Borgerhout, Antwerp. On the base of different NO₂ concentrations, correlated well with the traffic density, sampling locations were classified into three groups as follows: 1) ‘heavily polluted’ (heavy traffic); 2) ‘moderately polluted’ (medium traffic); or 3) ‘less polluted’ (low traffic density). Sampling sites located further from the road works, enclosed to the group ‘less polluted’, showed the lowest NO₂ concentrations. The highest NO₂ level was found for the locations close to reconstruction works, which belonged to the group ‘heavily polluted’. The contribution of NO₂ was at the same level before and after the road works. During the first campaign it ranged from 30 ± 7 µg/m³ to 71 ± 11 µg/m³ and during the second sampling it was between 36 ± 17 µg/m³ and 73 ± 17 µg/m³. These modernization works had no impact on preventing the traffic-related pollutant as NO₂ and as a consequence no significant effect on the air quality in the studied region. It has been proven that the impact of traffic on the air quality is unmistakably high and simply reduction of the number of the traffic lanes, intended to discourage the traffic flow, had apparently no environmentally advantageous effect.     

Lithiation of 2-(chloroaryl)-2-aryl-1,3-dioxolanes with butyllithium activated by N,N,N′,N″,N″-pentamethyldiethylenetriamine

Intramolecular competition of variously substituted phenyl rings of benzophenone ketals in lithiation reactions proved to be a useful tool to study both ortho-directing ability and long-range effects of the substituents. The regioselectivities observed in the reaction of benzophenone ketals having one or two chloro substituents in one of the aryl rings with butyllithium complexed to N,N,N′,N″,N″-pentamethyldiethylenetriamine demonstrate the significance of both ortho- and meta-acidifying effect of the chloro substituents. The lithio species thus generated were carboxylated resulting in new polysubstituted benzoic acids.     

Characterisation of the steady state tube furnace (ISO TS 19700) for fire toxicity assessment

The steady state tube furnace (Purser furnace, ISO TS 19700) has been developed specifically to replicate the generation of toxic products from real fires under different fire conditions on a bench-scale. Steady state burning is achieved by driving the sample into a furnace of increasing heat flux at a fixed rate and recording the product yields over a steady state period in the middle of the run. The furnace, sample, and effluent dilution chamber temperature profiles are presented to characterise the conditions in the apparatus. The distribution of smoke in the mixing chamber has been investigated to demonstrate the efficiency of mixing in the effluent dilution chamber. The heat flux applied to the sample at various points through the furnace has been measured, showing that conditions vary from those typical of pre-flaming to fully developed fires. An initial investigation of the repeatability and interlaboratory reproducibility has been undertaken, showing acceptable low levels of uncertainty in the toxic product yields.