Solid phase extraction and determination of nickel in water samples by using novel thiol-containing sulfonamide polymeric resin and atomic absorption spectrophotometer

Interest in preconcentration techniques for the determination of metals at ultratrace levels still continues increasingly because of some disadvantages of flameless atomic absorption spectrometry as well as the high costs of other sensitive methods in compared to flame atomic absorption spectrometry.In this study,thiol-containing sulfonamide resin was synthesized,characterized and applied as a new sorption material for solid phase extraction of nickel in drinking water samples.After preconcentration procedure,flame atomic absorption spectrometry was used for determinations.Optimum parameters were found to be pH=3.2,contact time =20 min and eluate volume=3 mL.The limit of detection was found to be 0.75 ng · mL-1.The synthesized resin exhibits the superiority in compared to the other adsorption reagents because of the fact that there is no necessity of any complexing reagent,high sorption capacity as well as the relatively fast extraction rate.The Ni concentrations in the studied 21 kind of water samples were found to be in the range of BDL-4.0 ng ·mL-1.     

Matching patient and physician preferences in designing a primary care facility network

This paper introduces an integer programming model for planning primary care facility networks, which accounts for the interests of different stakeholders while maximizing access to health care. Physician allocation to health-care facilities is explicitly modelled, which allows consideration of physician incentives in the planning phase. An illustrative case study in the Turkish primary care system is presented to show the implications of focusing on patient or physician preferences in the planning phase. A discussion of trade-offs between the different stakeholder preferences and some recommendations for modelling choices to match these preferences are provided. In the context of this case, we found that using an access measure that decays with distance, and incorporating nearest allocation constraints improves performance for all stakeholders. We also show that increasing the number of physicians may have adverse affects on access measures when physician preferences are addressed.     

Hopf bifurcation analysis of a general non-linear differential equation with delay

This work represents Hopf bifurcation analysis of a general non-linear differential equation involving time delay. A special form of this equation is the Hutchinson–Wright equation which is a mile stone in the mathematical modeling of population dynamics and mathematical biology. Taking the delay parameter as a bifurcation parameter, Hopf bifurcation analysis is studied by following the theory in the book by Hazzard et al. By analyzing the associated characteristic polynomial, we determine necessary conditions for the linear stability and Hopf bifurcation. In addition to this analysis, the direction of bifurcation, the stability and the period of a periodic solution to this equation are evaluated at a bifurcation value by using the Poincaré normal form and the center manifold theorem. Finally, the theoretical results are supported by numerical simulations.     

Interior-Point Methods for Nonconvex Nonlinear Programming: Filter Methods and Merit Functions

Recently, Fletcher and Leyffer proposed using filter methods instead of a merit function to control steplengths in a sequential quadratic programming algorithm. In this paper, we analyze possible ways to implement a filter-based approach in an interior-point algorithm. Extensive numerical testing shows that such an approach is more efficient than using a merit function alone.     

Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states

We have investigated the pairs of rotational isomers for six 3-(o-aryl)-5-methyl-rhodanines (Z = H, F, Cl, Br, OH, and CH3) using NMR spectroscopy and density functional theory (DFT) calculations. Electron density topological and NBO analysis has demonstrated the importance of non-covalent interactions, characterised by (3, -1) bond critical points (BCPs), between the oxygen and sulfur atoms on the thiazolidine ring with the aryl substitutents in stabilizing the transition states. The energetic activation barriers to rotation have also been determined using computational results; rotational barriers for 3-(o-chlorophenyl)-5-methyl-rhodanine (3S) and 3-(o-tolyl)-5-methyl-rhodanine (6S) were determined experimentally based on NMR separation of the diastereoisomeric pairs, and the first-order rate constants used to derive the value of the rotational barrier from the Eyring equation.     

PM3 semiempirical study and its comparison with X-ray crystal structure of 2-methyl-4-(4-methoxyphenylazo)phenol

The crystal and molecular structure of 2-methyl-4-(4-methoxyphenylazo)phenol have been determined by X-ray single crystal diffraction technique. The compound crystallizes in the monoclinic space group P2₁/c with a=9.7763(8) Å, b=11.3966(8) Å, c=11.9531(8) Å and β=108.752(6)°. In addition to the molecular geometry from X-ray experiment, its optimized molecular structure has been obtained with the aid of PM3 semiempirical quantum mechanical method, and then the corresponding geometric parameters were compared with those of X-ray crystallography. To determine conformational flexibility and crystal packing effects on the molecules, molecular energy profile of the title compound was obtained with respect to two selected degrees of torsional freedom, which were varied from ?180° to +180° in steps of 10°. Crystal structure of the title compound is a fibroid structure constructed by C–H···O and O–H···N type intermolecular hydrogen bonds. The most favorable conformer of the title compound has been determined by the crystal packing effects and there is no steric hindrance during rotation around the selected torsion angles.     

Quantification and identification of components released from dental composites using different chromatographic techniques

This study aimed to review recent chromatographic methods for quantifying and identifying components released from dental composites. Resin-based dental restorative materials are extensively used in dentistry today. Although composite materials are known to be highly stable structures, they are susceptible to degradation because of the incomplete polymerization. Several components may be released from resin composite restorations into the oral environment. The elution of components from composite resins may affect the biocompatibility of the restorations. Therefore, it is essential to understand the nature and quantity of substances that are segregated into the oral cavity.     

Crosslinking of sulphonated poly (ether ether ketone) using aromatic bis(hydroxymethyl) compound

2,6-Bis(hydroxymethyl)-4-methyl phenol and 1,4-bis(hydroxymethyl) benzene have been used as crosslinkers in sulphonated poly (ether ether ketone) (SPEEK DS 65%, IEC 1.84 mequiv./g) for the preparation of proton exchange membranes (PEMs). Crosslinking of SPEEK has been achieved by thermally activated bridging of the polymer chain with the hydroxymethyl group of crosslinker through condensation reaction with sulphonic acid group. The physico-chemical properties of uncrosslinked and crosslinked membrane were evaluated in terms of ion exchange capacity (IEC), water uptake, ionic conductivity and mechanical properties. The crosslinked membrane showed controlled swelling, ionic conductivity of 25–50 mS/cm at 80 °C and good mechanical properties. The chemical stability of the crosslinked membranes was studied by Fenton's test. The % loss in weight and changes in physico-chemical properties of the treated membranes were determined.     

Multivalent Sialosides: A Tool to Explore the Role of Sialic Acids in Biological Processes

Sialic acids (Sias) are fascinating nine‐carbon monosaccharides that are primarily found on the terminus of the oligosaccharide chains of glycoproteins and glycolipids on cell surfaces. These Sias undergo a variety of structural modifications at their hydroxy and amine positions, thereby resulting in structural diversity and, hence, coordinating a variety of biological processes. However, deciphering the structural functions of such interactions is highly challenging, because the monovalent binding of Sias is extremely weak. Over the last decade, several multivalent Sia ligands have been synthesized to modulate their binding affinity with proteins/lectins. In this Minireview, we highlight recent developments in the synthesis of multivalent Sia probes and their potential applications. We will discuss four key multivalent families, that is, polymers, dendrimers, liposomes, and nanoparticles, and will emphasize the major parameters that are essential for the specific interactions of these molecules with proteins in biological systems.     

Energy and exergy analyses of vacuum cooling as experimental assessment: case study for boiled cauliflower (Brassica Oleracea Var)

Journal of Thermal Analysis and Calorimetry - Thermodynamic properties and glass transition temperature (Tg) of heat pump dried scallop adductors with (SA-C) and without (SA) sodium alginate...