An implementation variant of the polynomial finite difference method with orthogonal collocation and adjustable element length

The polynomial finite difference method, an easy-to-use variant of the finite difference method for the numerical solution of differential and differential–algebraic equations, has been recently presented [Wu, B., & White, R.E. (2004). Computers & Chemical Engineering, 28, 303–309]. In this work, it is shown that the polynomial finite difference method can be seen as a collocation method with finite elements of equal size with uniform distribution of collocation points within each element. We show that the same type of implementation can be improved if one uses orthogonal distribution of collocation points, without significantly affecting the computational effort. The suggested method is further improved with the use of Michelsen's technique for step-size adjustment to solve stiff differential equations with a semi-implicit third order method. Several examples that show improvements of one or two orders of magnitude of the proposed approach over the implementation by Wu and White are presented.     

Consecutive reactions in an oleic acid and acetic anhydride reaction medium

When mixing acetic anhydride and oleic acid, two consecutive reactions take place. The first one yields acetic‐oleic anhydride (AOA) and acetic acid. In the second one, oleic acid reacts with AOA to form oleic anhydride at 5% in a mixture when the initial molar ratio is 1:1. Therefore, at equilibrium, the global reaction yields a mixture of AOA, acetic anhydride, oleic acid, acetic acid and oleic anhydride. Based on a new HPLC protocol, all the species of the reaction medium could be separated and quantified. This permitted for the first time to study the kinetics and thermodynamics of the reaction. In the 30–70 °C range, reactions were of order 2 with partial orders of 1 for each reactant. Equilibrium constants were determined for both reactions. Enthalpy, entropy and activation energies were calculated for the main reaction. The influence of molar ratio on the composition at equilibrium was also investigated. The synthesis of AOA could thus be understood and new data were obtained for this singular molecule scarcely cited in the CAS database.     

Sperm Methylome Profiling Can Discern Fertility Levels in the Porcine Biomedical Model

A combined Genotyping By Sequencing (GBS) and methylated DNA immunoprecipitation (MeDIP) protocol was used to identify—in parallel—genetic variation (Genomic-Wide Association Studies (GWAS) and epigenetic differences of Differentially Methylated Regions (DMR) in the genome of spermatozoa from the porcine animal model. Breeding boars with good semen quality (n = 11) and specific and well-documented differences in fertility (farrowing rate, FR) and prolificacy (litter size, LS) (n = 7) in artificial insemination programs, using combined FR and LS, were categorized as High Fertile (HF, n = 4) or Low Fertile (LF, n = 3), and boars with Unknown Fertility (UF, n = 4) were tested for eventual epigenetical similarity with those fertility-proven. We identified 165,944 Single Nucleotide Polymorphisms (SNPs) that explained 14–15% of variance among selection lines. Between HF and LF individuals (n = 7, 4 HF and 3 LF), we identified 169 SNPs with p ≤ 0.00015, which explained 58% of the variance. For the epigenetic analyses, we considered fertility and period of ejaculate collection (late-summer and mid-autumn). Approximately three times more DMRs were observed in HF than in LF boars across these periods. Interestingly, UF boars were clearly clustered with one of the other HF or LF groups. The highest differences in DMRs between HF and LF experimental groups across the pig genome were located in the chr 3, 9, 13, and 16, with most DMRs being hypermethylated in LF boars. In both HF and LF boars, DMRs were mostly hypermethylated in late-summer compared to mid-autumn. Three overlaps were detected between SNPs (p ≤ 0.0005, n = 1318) and CpG sites within DMRs. In conclusion, fertility levels in breeding males including FR and LS can be discerned using methylome analyses. The findings in this biomedical animal model ought to be applied besides sire selection for andrological diagnosis of idiopathic sub/infertility.     

Effective Separation of CO2 Using Metal-Incorporated rGO Membranes

Graphene-based materials, primarily graphene oxide (GO), have shown excellent separation and purification characteristics. Precise molecular sieving is potentially possible using graphene oxide-based membranes, if the porosity can be matched with the kinetic diameters of the gas molecules, which is possible via the tuning of graphene oxide interlayer spacing to take advantage of gas species interactions with graphene oxide channels. Here, highly effective separation of gases from their mixtures by using uniquely tailored porosity in mildly reduced graphene oxide (rGO) based membranes is reported. The gas permeation experiments, adsorption measurement, and density functional theory calculations show that this membrane preparation method allows tuning the selectivity for targeted molecules via the intercalation of specific transition metal ions. In particular, rGO membranes intercalated with Fe ions that offer ordered porosity, show excellent reproducible N₂/CO₂ selectivity of ≈97 at 110 mbar, which is an unprecedented value for graphene-based membranes. By exploring the impact of Fe intercalated rGO membranes, it is revealed that the increasing transmembrane pressure leads to a transition of N₂ diffusion mode from Maxwell–Stefan type to Knudsen type. This study will lead to new avenues for the applications of graphene for efficiently separating CO₂ from N₂ and other gases.     

Influence of thermal treatment and aging time on the stability and swelling properties of nano/micron-sized polymeric spheres for improved oil recovery application

Understanding the knowledge of swelling and stability properties of polymeric spheres are essential for improved oil recovery; these properties will allow guaranteeing an efficient block of high permeability channels and large pore throats. These properties of nano/micron-sized polymeric spheres commercially available for improved oil recovery applications were investigated. The polymeric spheres emulsion was characterized by scanning electron microscopy (SEM). Data analysis reveals uniform and spherical structures with an average diameter of 47 ± 4.8 nm. After hydration, polymeric spheres can swell due to water absorption reaching an average particle diameter of 3.3 ± 0.2 μm. The effect of aging time, thermal treatment, the removal of the oil phase, and the dispersing stabilizer on the swelling and stability was studied. It has been found that polymeric spheres structure suffers deterioration with the progressive aging time, temperature increase, and with the removal of the oil phase and dispersing stabilizer. As a result, crosslinked polymer aggregates are formed which subsequently acquiring fibrillar morphologies. Further, this study provides an understanding of the stability and swelling behavior of polymeric microspheres using polydimethylsiloxane microdevices. The results evidenced that the behavior of the polymeric spheres can be beneficial to improve oil recovery. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 48030.     

Processing and characterization of canine mixed mammary tumor using transmission electron microscopy

Canine mammary gland tumors represent the second most frequent type of neoplasm in dogs, being an important problem within veterinary medical field. Canine mixed mammary tumors are the most common; the use of a transmission electron microscope (TEM) can contribute as a tool in its diagnosis by determining the characteristics of cellular components from numerous neoplasms. The aim of this study was to characterize cytologically canine mammary mixed tumor by the use of the TEM. A biopsy collected from an 11 years old bitch Shih‐Tzu and analyzed by histopathology was used for ultrastructural analysis. Specimens obtained were double stained using uranyl acetate and lead citrate prior to observation in the TEM. The protocol established to transmission electron microscopy observation allowed the identification of main cellular characteristics of canine mixed mammary tumors; however, it was not possible a detailed visualization of the organelles due to the preservation of the biopsy in formaldehyde.     

Core–sheath nanofibrous membranes based on poly(acrylonitrile-butadiene-styrene), polyacrylonitrile,and zinc oxide nanoparticles for photoreduction of Cr(VI) ions in aqueous solutions

This investigation addresses the design of a series of poly(acrylonitrile-butadiene-styrene)/polyacrylonitrile–zinc oxide(ABS/PAN–ZnO) membranes by coaxial electrospinning. In the first instance, an optimization of ABS and PAN electrospinning was performed, thus establishing suitable compositional and processing parameters for obtaining homogenous fibers. Then, coaxial electrospinning of ABS and PAN solutions containing different amount of ZnO nanoparticles was carried out. The coaxial morphology of the nanofibers and ZnO distribution/dispersion were studied by the combination of several techniques such as scanning electron microscopy, X-ray energy dispersive analysis, contact angle, and thermogravimetric analysis. The performance of the obtained membranes for chromium (VI) ions removal from aqueous solutions was assessed by photoreduction using ultraviolet–visible spectroscopy. Electrospun mats composed of ABS (core)/PAN (sheath) embedded with 30 wt % of ZnO nanoparticles exhibited the highest chromium photoreduction (about 80%), suggesting the potential use of these membranes as filters for water purification. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48429.     

Optimal design of renewable energy systems with flexible inputs and outputs using the P‐graph framework

The P‐graph framework introduced by Friedler et al. (Chem Eng Sci. 1992;47:1973–1988) is a general mathematical methodology based on Graph Theory which is applicable to many process design problems. We propose an extension of the P‐graph framework and the associated MILP model to account for operating units and systems where the inputs and outputs are variable. This is important because the P‐graph framework in its current form would otherwise apply only to systems where the ratios of inputs to outputs are fixed. Consequently, it is difficult to apply the method to many emerging systems without the new mathematical model presented here. We discuss and develop the model in detail, and we then illustrate its application with the case study of an energy system. We establish a structure with optimal cost for a baseline heat demand, and we further explore how the energy system structure and the feedstocks change as the heat demand increases. © 2015 American Institute of Chemical Engineers AIChE J, 62: 1143–1153, 2016     

Degradability of extruded polyethylene/chitosan blends compatibilized with polyethylene‐graft‐maleic anhydride under natural weathering

The impact of chitosan on the natural weathering behavior of two blends obtained by mixing either polyethylene (PE) with chitosan or PE, chitosan and polyethylene‐graft‐maleic anhydride (PEgMA) as a compatibilizer is analyzed. In order to follow the weathering behavior of both the uncompatibilized and compatibilized systems, the blend films are exposed to outdoor conditions for 6 months. The weathering behavior of the films is monitored by mechanical tests, spectroscopic Fourier transform infrared, and morphological analyses at different weathering periods of time. The presence of chitosan in the blends accelerates significantly the degradation of the films. Apparently, PEgMA also accelerates the photo‐oxidation rate of the films. This behavior appears to be related to the photo‐oxidative instability of maleic anhydride, and also to the better dispersion of chitosan in the PE matrix, which is due to the interactions in the PE/chitosan interface caused by the addition of the compatibilizer. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 41045.     

Efficient Synthesis of Unsaturated δ‐ and ε‐Lactones/Lactams by Catalytic Cycloisomerization: When Pt Outperforms Pd

Platinum pincer complexes featuring an SCS indenediide backbone have been prepared and evaluated in the catalytic cycloisomerization of alkynoic acids and N‐tosyl alkynylamides. One of the platinum complexes significantly outperforms its palladium analogue for the formation of 6‐ and 7‐membered rings. The catalytic system takes advantage of the alkynophilicity of Pt and of the non‐innocent character of the indenediide framework. Like for Pd, the catalytic performance is significantly improved by using an H‐bond donor additive such as pyrogallol. For the first time, a large variety of ω‐unsaturated δ‐ and ε‐lactones/lactams could be prepared with high selectivities and in very good yields.