Synthesis and Superficial Modification "In Situ" of Copper Selenide (Cu2-x Se) Nanoparticles and Their Antibacterial Activity.

Copper selenide nanoparticles (Cu2-x Se NPs) have received a lot of attention in recent decades due to their interesting properties and potential applications in various areas such as electronics, health, solar cells, etc. In this study, details of the synthesis and characterization of copper selenide nanoparticles modified with gum arabic (GA) are reported. Also, through transmission electronic microscopy (TEM) analysis, the transformation of the morphology and particle size of copper selenide nanoparticles in aqueous solution was studied. In addition, we present an antimicrobial study with different microorganisms such as Staphylococcus aureus (S. aureus), Escherichia coli (E. coli) and Candida albiacans (C. albicans). Copper selenide nanoparticles were characterized by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry analysis (DSC) and TEM. XRD confirmed the crystal-line structure of the nanoparticles such as cubic berzelanite with a particle size of 6 nm ± 0.5. FTIR and TGA corroborated the surface modification of copper selenide nanoparticles with gum arabic, and DSC suggested a change in the structural phase from cubic to hexagonal. TEM analysis demonstrated that the surface modification of the Cu2-x Se NPs stabilized the nanostructure of the particles, preventing changes in the morphology and particle size. The antimicrobial susceptibility analysis of copper selenide nanoparticles indicated that they have the ability to inhibit the microbial growth of Staphylococcus aureus, Escherichia coli and Candida albicans.

CO to formaldehyde transformation study on pristine and Au-modified BaTiO3(001) through DFT calculations.

CONTEXT: BaTiO3 is one of the most important ferroelectric oxides in electronic applications. Also, it has attractive properties for catalysis that could be used for reducing contamination levels, especially carbon monoxide, CO. CO is one of the main gaseous pollutants generally released from the combustion of fossil fuel. In this work, the CO transformation on pristine and Au-modified BaTiO3 perovskite for H2CO obtention is studied. The CO adsorption and hydrogenation on pristine BaTiO3 leads to formaldehyde synthesis as the most stable product through two possible routes. Furthermore, hydrogenation stages are less probable on pristine BaTiO3. On Au-modified BaTiO3 formaldehyde is the principal product too but Au adatom generates H2CO competition with HCOH. After BaTiO3 modification with Au unpaired electrons were generated. These unpaired electrons are related to the adatom reactivity. According to the obtained results, pristine and Au-modified BaTiO3 can adsorb and hydrogenate CO generating formaldehyde as the principal product. BaTiO3 modifications with Au increase the reactivity of the perovskite in the CO hydrogenation reactions. CO hydrogenation process on Au suggests that further hydrogenation stages beyond formaldehyde are possible. METHODS: The study was performed through ab initio calculations using the periodic spin-polarized Density Functional Theory (DFT) as implemented in Quantum ESPRESSO. DFT calculations were carried out using the Plane Wave self-consistent field (PWscf). Spin density difference allows us to identify reactive regions related to dangling bonds and unpaired electrons. A plane wave basis set was used to represent the electron states. Vanderbilt pseudopotentials with nonlinear core correction were used to model the ionic cores and valence electrons interaction. Exchange-correlation energies were treated within the generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) parameterization.

Coordination copolymerization monitoring of ethylene and alfa-olefins by in-line Raman spectroscopy.

Copolymerizations of ethylene and alfa-olefins, using Ziegler-Natta or metallocene catalysts, testing two methods of co-monomer addition, through batch or dossing mode during the reactions, are reported in this work. Copolymerizations are monitored by in line Raman spectroscopy, comparing the effect of the kind of catalyst and the co-monomer addition modes on the chemical composition of the copolymers produced. The global co-monomer composition is determined by 13C NMR spectroscopy, compared with the monitoring by Raman spectroscopy along the reactions, where it is possible to define homogeneous or heterogeneous co-monomer distributions. Batch addition achieves higher incorporations of co-monomers, compared to dosed addition, where it is possible to determine the maximal co-monomer addition without affecting activities by transfer reactions. The incorporation mode of alfa-olefins in this type of reaction has been little reported, and until it is known, there is no rapid technique available to determine the uniformity of the co-monomer incorporations in real time. Copolymerization kinetics are also reported here and correlated to the addition method of the comonomers in both kinds of reactions. Homogeneous and heterogeneous co-monomer incorporations promoted by a single site catalyst (metallocene) or multisite system (Ziegler-Natta) is related to the homogeneous or heterogeneous co-monomer distributions detected by Raman spectroscopy, using each kind of catalytic system.

Green Synthesis of Copper Nanoparticles Using Cotton.

Copper nanoparticles (CuNP) were obtained by a green synthesis method using cotton textile fibers and water as solvent, avoiding the use of toxic reducing agents. The new synthesis method is environmentally friendly, inexpensive, and can be implemented on a larger scale. This method showed the cellulose capacity as a reducing and stabilizing agent for synthetizing Cellulose-Copper nanoparticles (CCuNP). Nanocomposites based on CCuNP were characterized by XRD, TGA, FTIR and DSC. Functional groups present in the CCuNP were identified by FTIR analysis, and XRD patterns disclosed that nanoparticles correspond to pure metallic Cu°, and their sizes are at a range of 13-35 nm. Results demonstrated that CuNPs produced by the new method were homogeneously distributed on the entire surface of the textile fiber, obtaining CCuNP nanocomposites with different copper wt%. Thus, CuNPs obtained by this method are very stable to oxidation and can be stored for months. Characterization studies disclose that the cellulose crystallinity index (CI) is modified in relation to the reaction conditions, and its chemical structure is destroyed when nanocomposites with high copper contents are synthesized. The formation of CuO nanoparticles was confirmed as a by-product, through UV spectroscopy, in the absorbance range of 300-350 nm.

Reduction of Candida albicans biofilm formation by coating polymethyl methacrylate denture bases with a photopolymerized film.

STATEMENT OF PROBLEM: As Candida albicans biofilm formation is associated with severe local and systemic infections in denture-wearing patients, its prevention or reduction becomes an essential factor in the health of this population. PURPOSE: The purpose of this in vitro study was to investigate whether 2 photopolymerized coatings of poly(acrylic acid) (PAA) and poly(itaconic acid) (PIA) can effectively reduce the adhesion of C albicans on denture base acrylic resin surfaces. MATERIAL AND METHODS: The surface of the polymethyl methacrylate (PMMA) denture base was modified through photopolymerization of a thin film of PAA or PIA. The polymeric coatings were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), contact angle goniometry (CA), and surface roughness measurement (Ra). For biological evaluation, the coated PMMA surfaces were tested in a C albicans biofilm dynamic formation model, observed by confocal laser scanning microscopy (CLSM), and quantified by the number of colony-forming units (CFUs). The cytotoxicity of the polymeric coatings was also evaluated by using a lactic dehydrogenase-based (LDH) test. For statistical analysis, ANOVA and the nonparametric Kruskal-Wallis test were used (α=.05). RESULTS: The PMMA resin base surfaces coated with PAA and PIA had an inhibitory effect on C albicans growth, the wettability of the coated surface, and the average roughness. The PAA and PIA coatings had no statistically significant cytotoxic effect on periodontal ligament fibroblasts. CONCLUSIONS: PMMA acrylic resin base material was superficially modified through the incorporation of carboxylic acid groups by using PAA and PIA coatings that reduced the adherence of C albicans biofilm by 90%.

Semiautomated Parallel RAFT Copolymerization of Isoprene with Glycidyl Methacrylate.

Copolymerization of isoprene (IP) with glycidyl methacrylate (GMA) was performed under RAFT (reversible addition-fragmentation chain-transfer) polymerization conditions in a platform for high-output experimentation. Covering the range between 1 and 0.2 molar fraction of IP in the feed, four sets of reactions were carried out at 10, 15, 20, and 30 h at 115 °C. The kinetic data obtained were used to estimate the reactivity ratios using a nonlinear least-squares approach (NLLS). Reactivity ratios rGMA = 0.61 and rIP = 0.74 indicate that both monomers tend to crosspropagate in agreement with known literature values. Concerning the RAFT study, relatively good control and livingness of the copolymerization was observed except for the experiment in which IP represents 20 mol % in the feed. 1H NMR characterization confirmed the presence of both monomers in the final copolymer, particularly the presence of the epoxy ring of GMA which is susceptible to post polymerization reactions. Finally, preliminary results on the hydrogenation of various polymers are discussed.