On the steady‐state drop size distribution in stirred vessels. Part I: Effect of dispersed phase viscosity

Previous studies on emulsification have used the maximum drop size (d_max) or Sauter mean diameter ( ) to investigate the effect of viscosity on the drop size distribution (DSD), however, these parameters fall short for highly polydispersed emulsions. In this investigation (Part I), the steady‐state DSD of dilute emulsions is studied using of silicon oils with viscosities varying across six orders of magnitude at different stirring speeds. Different emulsification regimes were identified; our modeling and analysis is centered on the intermediate viscosity range where interfacial cohesive stresses can be considered negligible and drop size increases with viscosity. The bimodal frequency distributions by volume were well described using two log‐normal density functions. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3293–3302, 2018     

Prediction of contact maps with neural networks and correlated mutations

Contact maps of proteins are predicted with neural network-basedmethods, using as input codings of increasing complexity includingevolutionary information, sequence conservation, correlatedmutations and predicted secondary structures. Neural networksare trained on a data set comprising the contact maps of 173non-homologous proteins as computed from their well resolvedthree-dimensional structures. Proteins are selected from theProtein Data Bank database provided that they align with atleast 15 similar sequences in the corresponding families. Thepredictors are trained to learn the association rules betweenthe covalent structure of each protein and its contact map witha standard back propagation algorithm and tested on the sameprotein set with a cross-validation procedure. Our results indicatethat the method can assign protein contacts with an averageaccuracy of 0.21 and with an improvement over a random predictorof a factor >6, which is higher than that previously obtainedwith methods only based either on neural networks or on correlatedmutations. Furthermore, filtering the network outputs with aprocedure based on the residue coordination numbers, the accuracyof predictions increases up to 0.25 for all the proteins, withan 8-fold deviation from a random predictor. These scores arethe highest reported so far for predicting protein contact maps.     

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.     

Synthesis and characterization of the polyols by air oxidation of soybean oil and its effect on the morphology and dynamic mechanical properties of poly(vinyl chloride) blends

The use of natural additives, with low toxicity and good compatibility, for PVC is becoming increasingly attractive. In this study, soybean oil additives were prepared by air oxidation reactions and blending with PVC. The oxidation reaction produced a significant increase in the number of hydroxyl groups in soybean oil; however, this kind of reaction results in the formation of a heterogeneous structure due to free radical reactions in the medium. The oxidized soybean oil improved the compatibility with PVC due to an increase in the number of polar groups, such as hydroxyls, and thus a reduction in the amount of atactic polymer was observed. Furthermore, an increase in the molecular weight of the oxidized oil, as well as large amounts of polar groups contributes to reducing the migration of oil in the PVC. Regarding the crystallinity of PVC, the use of pure and oxidized soybean oil causes small changes in the crystalline phase of the polymer. Oxidized soybean oil has great potential for usage as a secondary plasticizer for PVC. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42102.     

The Anti-Inflammatory Effects of the Methanolic Extract and Fractions from Davilla elliptica St. Hil. (Dilleniaceae) on Bothrops jararaca Envenomation

Inflammation and haemorrhage are the main characteristics of tissue injury in botropic envenomation. Although some studies have shown that anti-venom prevents systemic reactions, it is not efficient in preventing tissue injury at the site of the bite. Therefore, this work was undertaken to investigate the anti-inflammatory effects of the methanolic extract and fractions from D. elliptica and to evaluate the role of matrix metalloproteinases (MMPs) in this process. Effects of the extract and fractions from D. elliptica were evaluated using a carrageenan-induced paw oedema model in rats, and leukocyte rolling was visualized by intravital. The quantification of MMPs activities (MMP-2 and MMP-9) extracted from the dermis of mice treated with extract and fractions alone or incubated with venom was determined by zymographic analyses. Our results show that intraperitoneal (i.p.) injection of fractions significantly reduced paw oedema after the carrageenan challenge. Treatment with the tannins fraction also resulted in considerable inhibition of the rolling of leukocytes and this fraction was able to decrease the activation of MMP-9. These results confirmed the anti-inflammatory activity of the methanolic extract and tannins fraction of D. elliptica and showed that the dermonecrosis properties of B. jararaca venom might be mediated through the inhibition of MMP-9 activity.     

Promising curaua fiber‐reinforced polyester composite for high‐impact ballistic multilayered armor

A typical multilayered armor system (MAS) is composed of a harder front ceramic tile, which is able to erode heavy ammunition, such as the 7.62 mm bullet, followed by a second layer to further reduce the impact energy. Aramid fabric is a common choice for the second layer. In the present work, polyester matrix composites reinforced with 10 to 30 vol% of curaua fibers, despite having much lower strength and stiffness than aramid fabric, displayed similar trauma indentation in a standard clay witness simulating the human body. Impedance matching and scanning electron microscopy analyses suggest effective energy absorption through ceramic fragment capture by curaua composites. Additionally, because of the high cost of aramid fabric, a full MAS with curaua fiber composite is much cheaper than a MAS composed of aramid fabric. Taking into consideration, both the economical and environmental advantages of natural fibers, it is concluded that curaua fiber‐reinforced polyester composite could replace aramid fabric as the second layer in MASs for personal ballistic protection. POLYM. ENG. SCI., 57:947–954, 2017. © 2016 Society of Plastics Engineers     

Buildup of hyperbranched polymer/alginate multilayers and their influence on protein adsorption and platelet adhesion

A hyperbranched poly(methylene bisacrylamide–aminoethyl piperazine) (HPMA) and lactobionic acid modified hyperbranched poly(methylene bisacrylamide–aminoethyl piperazine) (LA–HPMA), namely, galactosylated HPMA, were assembled with alginate through the application of the layer‐by‐layer technique to fabricate polyelectrolyte multilayer (PEM) films. We monitored the assembly process to reveal the stepwise mass increase with a quartz crystal microbalance with the dissipation technique and by the reversal of the ζ potential. The thickness of PEMs assembled in solutions with different pHs was measured by spectroscopic ellipsometry; it showed a general decreasing tendency along with the pH increase. Postincubation in a buffer solution revealed that the multilayers possessed good stability with a thickness decrease from 5 to 15%. The PEMs showed a limited protein adsorption. Serum, bovine serum albumin, and fibrinogen were adsorbed onto the multilayers with a density within hundreds of nanograms per square centimeter to 1 μg/cm² and showed a relatively smaller adsorption on the multilayers assembled at pH 9. The PEMs assembled with LA–HPMA showed the lowest adhesion and activation of platelets, regardless of the outmost layer. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 44769.     

Investigation of Polyimidesiloxanes for Use as Adhesives by Electron Spectroscopy for Chemical Analysis

Angle-dependent electron spectroscopy for chemical analysis (ESCA) was used to examine the air facing surface (20–100 Å thick) composition of polyimidesiloxanes with different processing variations, and of varying polydimethylsiloxane (PDMS) content and block length (number of PDMS repeat unit varies from 1 to 9). Polyimide was clearly detected (due to the nitrogen content) in the 20–100 Å surface regions. This shows that a small amount of PDMS and short PDMS segment lengths in polyimidesiloxanes give a surface region with both PDMS and polyimide present. The surface composition, particularly that in the ca. 100 Å region, was correlated to the peel strength of polyimidesiloxane melt pressed to a metal substrate. Our results suggest that both PDMS and polyimide are essential components to rendering a needed peel strength. PDMS, having a good diffusive ability, readily reaches the substrate upon being pressed, achieving intimate contact, while imide groups interact with the substrate, presumably through chemical bonding; these two factors act synergistically to result in a high peel strength. In addition, the interaction mechanism and the failure mechanism involved in bonding polyimidesiloxane and metal substrate were also elucidated based on the ESCA results.