Biological activities of Solanum paludosum Moric. extracts obtained by maceration and supercritical fluid extraction

Solanum paludosum extracts obtained by maceration (SP-EtOH_CRUDE and SP-EtOH_MARC) and supercritical fluid extraction (SP-SFECO₂) were evaluated. Three extracts with distinct chromatographic profiles were obtained: SP-EtOH_CRUDE, with a complex phenolic composition; SP-SFECO₂, containing methoxylated flavonoids; and SP-EtOH_MARC, which bears mainly polar polyphenols. All extracts were strong antioxidants, as measured using the diphenylpicrylhydrazyl (DPPH) method, xanthine/xanthine oxidase/luminol and iron-induced lipid peroxidation systems. Extracts were also evaluated as modifiers of antibiotic activity in strains of Staphylococcus aureus expressing fluoroquinolone, macrolide and tetracycline efflux proteins. Despite their lack of antibacterial activity, all extracts were able to potentiate antibiotics activities by as much as eight fold. Both the maceration and supercritical fluid extraction processes were adequate to obtain extracts with different biological activities according to their patterns of phenolic compounds. The data suggest that S. paludosum could be a valuable source of antioxidants and putative efflux pumps inhibitors.     

Developing pyrrole-derived antimycobacterial agents: a rational lead optimization approach

Tuberculosis (TB) represents a never-ending challenge toward which research efforts are needed. Drug resistance is the key problem that scientists in the field need to fight. The development of new drugs endowed with novel modes of action against different biological targets is of extreme importance; these new agents should also exhibit lower toxicity compared with the anti-TB drugs currently available. Furthermore, new drugs should be inexpensive since most of the TB-infected population lives in developing nations. In the last few years, numerous researchers have focused their attention on TB, leading to the discovery of some interesting compounds. Among these, the pyrrole-derived compounds we developed can be considered very promising antimycobacterial agents. Aided by molecular modeling studies, we synthesized numerous compounds characterized by the same 1,5-diarylpyrrole scaffold and elucidated very interesting antitubercular/antimycobacterial properties. Some compounds identified are extremely promising and represent a step towards the design of novel lead structures in the fight against TB. Our efforts to this end are reviewed here.     

Pressure-induced pH changes in aqueous solutions - On-line measurement and semi-empirical modelling approach

The main aim of this work is to investigate the effect of CO₂ and N₂O under pressure in aqueous solution - both on-line and in real-time. In particular, the paper presents the kinetics of pH behaviour of either slightly buffered minimal medium (MM) or non-buffered solution (Ringer solution) during high-pressure treatment at 5, 30 and 60 bar at 25 °C.An innovative spectrophotometric approach has been developed: an optical fiber conducted the inlet signal of a light source into the high-pressure reactor, while another fiber conducted the outlet signal to a spectrometer, thus, obtaining measurements on-line and real-time.CO₂ treatment resulted in a pH decrease down to 3.0 in Ringer solution with the equilibrium being reached after 800 s, while the slightly buffered MM allows only for a decrease down to 4.5 with equilibrium being reached after slightly more than 40 s at 60 bar.N₂O treatment, as expected, did not lead to any acidification of the treated medium at any conditions tested.Furthermore, a mathematical model describing both the solubilization kinetics of CO₂ and in aqueous solution and the decrease of extracellular pH has been implemented. This model may easily be applied to different reactor configurations. The theoretical results and the goodness of the fit has been verified using the experimental results showing a good accuracy of the complex phenomena with a simplification that is of vital relevance for technical processes.     

Dendrimer finishing influence on CO/PES blended fabrics color assessment

Textile finishing includes all processes that help to maintain the value or increase the value of the textile material. It encompasses dyeing, printing, and all the finishing treatments to realize durable press, soil release, flame retardant, antistatic, antimicrobial, or water/oil repellency properties. When these properties are realized on dyed textile fabric, one effect could be ascribed to the color change induced by finishing operations. This research focuses on the assessment of color alterations occurring on the dyed cotton/polyester blended fabrics due to the nanoparticle‐sized dendrimer (DWR), dendrimer–fluorocarbon (DWOR), and fluorocarbon (FWOR) finishing onto their surfaces. The dependence of color on the surface state of treated textiles is calculated in the context of spectrophotometric measurements. Modification of the surface roughness by reflectance spectrum and the absorbance of finishes in visible range were investigated to determine color changes between the original (control fabric, dyed but not treated) and treated fabrics. As a result of color matching calculated by CIE‐Lab values, color change is related to the surface roughness associated with absorbance values of applied finishes. In addition, fabrics mechanical properties were evaluated to estimate if finishing agents application gives rise to other changes, besides color alterations. The fabrics mechanical properties have been found not significantly altered by the aforementioned finishing treatments. These results could be applied for industrial needs (quality control), or in the artistic field of conservation, or restoration (to follow the color of paintings). © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011     

Analysis of solution polybutadiene polymerizations performed with a neodymium catalyst

This article is regarding the polymerization of 1,3‐butadiene with a neodymium catalyst activated by diisobutylaluminum‐hydride and diethylaluminum chloride (DEAC). The effects of the polymerization conditions (ratio between DEAC and neodymium molar concentrations, polymerization temperature, catalyst concentration, and butadiene concentration) on the polymer yield and molecular weight distribution (MWD) of polybutadiene (PB) samples were evaluated. It is shown that the DEAC/Nd ratio and the polymerization temperature are the reaction variables that influence the MWD and the catalyst performance most significantly. PBs with broad and sometimes bimodal MWD were produced at the analyzed reaction conditions. For this reason, the MWD of the obtained polymer materials was deconvoluted with the help of the Flory most probable distribution, indicating that three or more catalyst sites are required to explain the final MWD of the polymer samples. Finally, it was observed that the analyzed neodymium catalyst is able to produce branched PBs at mild reaction conditions and that the branching frequency depends on the polymerization conditions, which may be useful for development of operation policies at plant site and production of materials with improved performances. POLYM. ENG. SCI., 2011. © 2010 Society of Plastics Engineers     

Measurement and numerical prediction of fiber‐reinforced thermoplastics' thermal conductivity in injection molded parts

Recent improvements in injection molding numerical simulation software have led to the possibility of computing fiber orientation in fiber reinforced materials during and at the end of the injection molding process. However, mechanical, thermal, and electrical properties of fiber reinforced materials are still largely measured experimentally. While theoretical models that consider fiber orientation for the prediction of those properties exist, estimating them numerically has not yet been practical. In the present study, two different models are used to estimate the thermal conductivity of fiber reinforced thermoplastics (FRT) using fiber orientation obtained by injection molding numerical simulation software. Experimental data were obtained by measuring fiber orientation in injection molded samples' micrographs by image processing methods. The results were then compared with the numerically obtained prediction and good agreement between numerical and experimental fiber orientation was found. Thermal conductivity for the same samples was computed by applying two different FRT thermal conductivity models using numerically obtained fiber orientation. In the case of thermal conductivity, predicted results were consistent with experimental data measurements, showing the validity of the models. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 39811.     

Structural symmetry breaking of silicon‐containing poly(amide‐imide) oligomers and its relation to electrical conductivity and Raman‐active vibrations

Optically active poly(amide‐imide) oligomers were synthesized by direct polycondensation between an aromatic diamine and a dicarboxylic acid both containing a diphenylsilylene unit. The reaction was carried out using triphenyl phosphite/pyridine in the presence of CaCl₂ and N‐methyl‐2‐pyrrolidone as solvent. Oligomers were obtained in good yields and showed high solubility in common aprotic polar solvents. The precursors, monomers and poly(amide‐imide) oligomers were characterized using elemental analysis and Fourier transform infrared and NMR (¹H, ¹³C, ²⁹Si) spectroscopy. Additionally, the main vibrations of the functional groups (C?O, C?C or N? H) in the oligomers with respect to temperature were characterized using Raman spectroscopy. The glass transition temperature was determined by studying the Raman spectra and corroborated using differential scanning calorimetry. The thermal stability was studied using thermogravimetric analysis. The molecular mass of the compounds was obtained from matrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry and their optical properties were analyzed using UV‐visible diode array spectrophotometry. The electronic properties of the oligomers as well as the delocalization of charge carriers within their structures were analyzed using conductance‐voltage curves, which showed that these materials are excellent candidates for integrated optoelectronic applications. Copyright © 2011 Society of Chemical Industry     

Thiophene‐ and silarylene‐containing polyesters. Resonance effect on conductivity after polarization in an external electric field

Polyesters were synthesized by direct polycondensation of thiophene‐2,5‐dicarboxylic acid and five different silarylene‐containing diphenols using a tosyl chloride/pyridine/N,N‐dimethylformamide system as a condensing agent. Polymers were obtained in good yields and were characterized using Fourier transform infrared and NMR (¹H, ¹³C, 135‐DEPT and ²⁹Si) spectroscopy and elemental analysis. All polymers were completely soluble in aprotic organic polar solvents such as dimethylformamide, dimethylsulfoxide and N‐methyl‐2‐pyrrolidone. The range of effective mass of the polymers (m/z) was 1 × 10⁵–2 × 10⁵, determined using electrospray ionization mass spectrometry. Asymmetry and steric hindrance prevented dense packing of the polymeric chains, showing glass transition temperatures between ? 78 and ? 51 °C and loss of thermal stability at 177–199 °C (10% weight loss). Additionally, the melting points of the polyesters were found to be in the range 62–67 °C. Because of this, the samples were semi‐solid at room temperature. The optical band gaps of the polymers were observed between 4.54 and 4.48 eV, corresponding in all cases to insulator behavior. The molecular structure of the samples was studied using X‐ray diffraction, showing a degree of order that was associated with two monoclinic lattices. Additionally, the conductivity was studied using a two‐point method with contacts on top of polymer films. Prior to the electrical measurement, the samples were polarized in an external electric field of 0.8 to 6.4 V cm^?1, and the alignment of the dipoles increased the electrical conductivity. Copyright © 2012 Society of Chemical Industry