Optimal allocation of bioassays in the case of parametrized covariance functions: an application to Lung’s retention of radioactive particles

In this paper, we investigate the effect of employing a parametrized covariance function in a regression experiment on corresponding optimum designs. We demonstrate these effects in the framework of a real example for measuring the lung’s retention of radioactive particles. Also, two different covariance functions are considered, and it is shown that this choice can play a crucial role.      

The effect of citrate esters as plasticizers on the thermal and mechanical properties of poly(methyl methacrylate)

Plasticizers play a key role in the formulation of polymers and in determining their physical properties and processability. This study examines the effects of citrate esters, triethylcitrate, and triacetine as plasticizers on the thermal and mechanical properties of poly(methyl methacrylate). The samples were characterized by differential scanning calorimetry, dynamical mechanical analysis, and mechanical testing under different plasticizer contents. Both citrate esters proved to be effective as plasticizers, DSC data for the triacetine additive fits with Fox equation. Microstructure and relaxation properties were studied by dynamic mechanical analysis where loss modulus shows clearly that absorbed plasticizer shifts the α‐transition to lower temperature and β‐relaxations associated to ester side groups are unchanged even up to 30 wt % plasticizer. Mechanical properties were evaluated with an Instron testing machine. Both additives produced (1) an initial plasticization, with a decrease in tensile strength and modulus; (2) an antiplasticization, reflected as an increase in tensile strength; and modulus and (3) a final plasticization, with a notable decrease in tensile strength and modulus and an increase in elongation where a 35 wt % of triethylcitrate added to the poly(methyl methacrylate) increased in 200% its elongation. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2007     

Effect of treatment with α‐galactosidase,tannase or a cell‐wall‐degrading enzyme complex on the nutritive utilisation of protein and carbohydrates from pea (Pisum sativum L.) flour

The effect of treatment with α‐galactosidase, tannase or a cell‐wall‐degrading enzyme complex under optimal conditions of pH, temperature and length of incubation time on the chemical composition and nutritive utilisation of protein and carbohydrates from pea (Pisum sativum L.) flour was studied. Soaking of pea flours in combination with enzyme treatment led to reductions of 77–90% in the levels of α‐galactosides, and of 60–80% in the levels of trypsin inhibitor activity, increasing the content of total available sugars, which was highest in the pea flour treated with the cell‐wall‐degrading enzyme complex. All the treatments assayed caused a significant improvement in daily food intake, whereas the nutritive utilisation of protein was not increased in any of the pea products tested when compared to the raw pea flour. However, all the soaking and enzymatic treatments led to a significant improvement in daily weight gain associated with a higher dietary intake of food and total available sugars. Copyright © 2007 Society of Chemical Industry     

Carbon source utilization‐based metabolic activity of Salmonella Oranienburg and Salmonella Saintpaul in river water

The presence of introduced or non‐native bacteria in river water can create a selective pressure due to their ability to overcome fluctuations in physicochemical conditions and carbon source availability. The carbon source concentrations (monosaccharides and polysaccharides), physicochemical parameters (turbidity, total dissolved solids, biochemical oxygen demand, temperature and pH) and metabolic activity of Salmonella Oranienburg and Saintpaul were determined in water from the central Sinaloa state rivers. This study's results revealed that the carbohydrate availability and physicochemical conditions of river water make it a suitable niche for the establishment of Salmonella serotypes. Metabolic profiles showed that Salmonella Typhimurium could consume a wide variety of carbon sources but only at moderate levels; in contrast, Salmonella Oranienburg and Salmonella Saintpaul demonstrated intense carbon source utilization of a limited diversity of carbon sources. Carbohydrates, amino acids and carboxylic acids were the metabolites most utilized by the environmental Salmonella strains, demonstrating their superior ability to adapt to and survive in river water.     

The effect of microstructure on the slow crack growth resistance in polyethylene resins

The slow crack growth (SCG) in high density polyethylene (HDPE) is a phenomenon dominated by crazing. In this work, the crazing was analyzed from a microstructural point of view. PENT (Pennsylvania Edge Notched Tensile) test was chosen to study the evolution of the craze with time for different resins from PE‐80 up to PE‐100 grades. Two different geometries, the standard and an alternative named CDNT (Circumferentially Deep Notched Tensile), were employed. Failure times were correlated with intercrystalline parameters like tie molecules and the molecular weight between entanglements. Experimental results showed good correlations using both direct SCG test (standard PENT and CDNT geometries). Finally, the strain hardening modulus was correlated with PENT failure times. The results disclosed an outstanding correlation for several polyethylene grades from blow molding up to PE‐80, PE‐100, and higher resistant to crack grades. These results permitted an easy‐classifying and ranking method as much to the old polyethylene grades as to the new generation of HDPE resins with a very high SCG resistance. POLYM. ENG. SCI., 55:1018–1023, 2015. © 2014 Society of Plastics Engineers     

On the use of ball milling to develop PHBV–graphene nanocomposites (I)—Morphology,thermal properties,and thermal stability

In the first part of this work, novel nanocomposites based on poly (3‐hydroxybutyrate co‐3‐hydroxyvalerate) (PHBV) and functionalized graphene nanosheets (FGS) were prepared through ball milling. As revealed by morphological characterization, this blending methodology was able to allow proper nanofiller dispersion and distribution into the matrix. Thermal properties were studied under non‐isothermal and isothermal conditions and the addition of FGS into PHBV matrix, although no changes in crystallization mechanism were observed, it modified the crystallization kinetics leading to increased crystallinity. Thermal stability analysis revealed that FGS affected the mechanism of oxidative thermal degradation and had no effect on thermal degradation by pyrolysis. Furthermore, an analysis of isothermal degradation kinetics showed that FGS speeded up the degradation rate. The Sestak‐Berggren model was used as a model to explain the isothermal degradation behavior of the obtained materials in good agreement with the experimental data. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42101.     

Structural Determinants of the Selectivity of 3‐Benzyluracil‐1‐acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10

The human enzymes aldose reductase (AR) and AKR1B10 have been thoroughly explored in terms of their roles in diabetes, inflammatory disorders, and cancer. In this study we identified two new lead compounds, 2‐(3‐(4‐chloro‐3‐nitrobenzyl)‐2,4‐dioxo‐3,4‐dihydropyrimidin‐1(2H)‐yl)acetic acid (JF0048, 3 ) and 2‐(2,4‐dioxo‐3‐(2,3,4,5‐tetrabromo‐6‐methoxybenzyl)‐3,4‐dihydropyrimidin‐1(2H)‐yl)acetic acid (JF0049, 4 ), which selectively target these enzymes. Although 3 and 4 share the 3‐benzyluracil‐1‐acetic acid scaffold, they have different substituents in their aryl moieties. Inhibition studies along with thermodynamic and structural characterizations of both enzymes revealed that the chloronitrobenzyl moiety of compound 3 can open the AR specificity pocket but not that of the AKR1B10 cognate. In contrast, the larger atoms at the ortho and/or meta positions of compound 4 prevent the AR specificity pocket from opening due to steric hindrance and provide a tighter fit to the AKR1B10 inhibitor binding pocket, probably enhanced by the displacement of a disordered water molecule trapped in a hydrophobic subpocket, creating an enthalpic signature. Furthermore, this selectivity also occurs in the cell, which enables the development of a more efficient drug design strategy: compound 3 prevents sorbitol accumulation in human retinal ARPE‐19 cells, whereas 4 stops proliferation in human lung cancer NCI‐H460 cells.     

Glycans in Medicinal Chemistry: An Underexploited Resource

The biological relevance of glycans as mediators of key physiological processes, including disease‐related mechanisms, makes them attractive targets for a wide range of medical applications. Despite their important biological roles, especially as molecular recognition elements, carbohydrates have not been fully exploited as therapeutics mainly due to the scarcity of structure–activity correlations and their non‐drug‐like properties. A more detailed understanding of the complex carbohydrate structures and their associated functions should contribute to the development of new glycan‐based pharmaceuticals. Recent significant progress in oligosaccharide synthesis and chemical glycobiology has renewed the interest of the medicinal chemistry community in carbohydrates. This promises to increase our possibilities to harness them in drug discovery efforts for the development of new and more effective, synthetic glycan‐based therapeutics and vaccines.     

Modification of the fat composition of the Iberian pig using Bacillus licheniformis and Bacillus subtilis

The aim of this work was to study the influence of a diet with probiotic bacteria on the lipid composition of different tissues from Iberian pigs. Cholesterol and fatty acid profiles were measured in liver, subcutaneous fat, and Serratus ventralis muscle samples. Feeding Iberian pigs a mixture of probiotic microorganisms for 45 days prior to slaughter affected the tissue composition. The feeds of the control and probiotic groups were identical except for the added Bacillus licheniformis and Bacillus subtilis (1.28 × 10⁹ cfu/kg feed) in the feed of the probiotic group. The diet with probiotics significantly affected the fatty acid profile of liver, subcutaneous fat and Serratus ventralis muscle samples, but no significant differences were found for the cholesterol content. The livers of the probiotic group contained lower levels of n‐6 fatty acids and higher levels of n‐3 fatty acids. The subcutaneous fat contained lower levels of n‐6 fatty acids. Serratus ventralis muscles from the probiotic group contained a significantly higher percentage of oleic acid than those of the control group. Practical applications: This study deals with the effect of the addition of probiotic bacteria to the diet of pigs on both the cholesterol and fatty acid content. B. subtilis and B. licheniformis can be used in pig feed (Regulation EC no. 2148/2004), but there are no studies about their effects on fresh meat or other tissues, particularly regarding the fat composition. Thus, it is interesting to study how feeding these microorganisms affects the different tissues. Including these microorganisms in the basic diet could serve as a strategy to modify the fat composition and to obtain healthier products from pigs.