Intermolecular interactions and formation of the hydration sphere in phosphonic acid model systems as an approach to the description of vinyl phosphonic acid based polymers

Molecular model systems based on propyl phosphonic acid (ppa) were studied by means of density functional theory calculations in order to describe the acid-acid interaction and the formation of the hydration sphere. The formation of ppa dimers is reported and the energetic difference between two dimer structures is presented. The hydration sphere of ppa was represented by model systems ppa(H₂O)_n, for which the system with n=4 formed the first hydration sphere (h¹), while n=7 can be considered a good approximation to the complete inner hydration sphere around the phosphonic acid group. The study of the ppa-H⁺ (H₂O)_n model systems showed an interesting structural behavior comparatively to the ppa(H₂O)_n systems. The protonated acids exhibited equivalent phosphorous-oxygen bonds and a general molecular structure is proposed to represent these protonated species.     

Quantitative GC-ECD Analysis of Halogenated Metabolites: Determination of Surface and Within-Thallus Elatol of Laurencia obtusa

Information on natural concentrations or variability of secondary metabolites in marine organisms may be important both to ecological/evolutionary and applied approaches. A gas chromatographic procedure with an electron capture detector (GC-ECD) was developed to quantify the sesquiterpenoid elatol at the surface and within-thalli of 70 specimens of the red seaweed Laurencia obtusa. The concentration of elatol was highest within-thalli [9.89 mg g⁻¹ of L. obtusa, dry weight (d.w.)], compared to lower values found at the surface [0.006 mg g⁻¹ of L.obtusa (d.w.), or 0.5–10.0 ng cm⁻²]. This method provides a rapid and inexpensive quantification of small quantities of elatol, and probably may also be used to quantify other halogenated compounds usually found in red seaweeds.     

Modification of coconut fibers with polyaniline for manufacture of pressure‐sensitive devices

This article studies the modification of coconut fibers with polyaniline (PAni) with help of statistical experimental design techniques. The main factors studied here were the techniques used for particle dispersion (sonication vs. magnetic stirring) and the type of initiator (ammonium persulfate, APS, vs. ammonium cerium sulfate dihydrate, Ce(IV)). The obtained materials were characterized through low field nuclear magnetic resonance, small‐and wide‐angle X‐ray scattering, scanning electron microscopy, fourier transform infrared spectroscopy, and ultraviolet–visible spectroscopy. Additionally, the electrical resistivities and respective sensitivities to variations of the applied pressure were evaluated for all obtained samples, with help of standard volume resistivity measurements and electro‐mechanical tests. The materials prepared through magnetic stirring with APS presented the best electrical and electromechanical properties, although materials prepared through sonication with Ce(IV) also presented good electrical and electromechanical properties and could be prepared much faster. As a consequence, modification of coconut fibers with PAni, using sonication as the particle dispersion technique and Ce(IV) as initiator, constitutes a very promising procedure for manufacture of pressure‐sensitive devices. POLYM. ENG. SCI., 54:2887–2895, 2014. © 2014 Society of Plastics Engineers     

Development of composites based on recycled polyethylene/sugarcane bagasse fibers

In this work, sugarcane bagasse fibers were used as filler in composites having recycled high‐density polyethylene (PEr) as matrix. Because of the poor interaction between fibers surface and the PEr, the surface of bagasse was chemically modified. This modification consists of washing with water at 80°C, a mercerization process using sodium hydroxide and acetylation reaction with acetic anhydride. The chemical modification was characterized by Fourier transform infrared–horizontal attenuated total reflectance (FTIR‐HATR) and ¹³C nuclear magnetic resonance spectroscopies (NMR), thermogravimetric analysis (TGA), and scanning electronic microscopy (SEM). The composites were prepared from modified and unmodified fibers into PEr matrix, containing 5, 10, and 20% (w/w) of fiber. The samples were processed by extrusion and molds were prepared by injection process in order to perform mechanical tests. These materials were analyzed by SEM, TGA, and the water uptake was evaluated. Also, their mechanical properties were analyzed. Morphological analysis indicated that the chemical modification of sugarcane bagasse increased the compatibility between matrix and reinforcement. Tensile, flexural, and impact tests showed that the mechanical properties of the composite were improved compared to PEr due to the presence of the fibers. POLYM. COMPOS., 35:768–774, 2014. © 2013 Society of Plastics Engineers     

Dissolving grade eco-clean cellulose pulps by integrated fractionation of cardoon (Cynara cardunculus L.) stalk biomass

A biorefinery scheme with separate processing of the two main carbohydrate streams (cellulose and hemicellulose-derived) was employed to the energy crop cardoon (Cynara cardunculus L.) to fractionate the whole stalk material. A high quality xylose-enriched substrate was obtained after selective one-step dilute sulfuric acid hydrolysis of hemicelluloses, yielding 18.1 g of xylose per 100 g of dry biomass. The xylan-free solid residue was delignified by sulfur-free organosolv pulping to produce dissolving grade pulps having 93.8% of α-cellulose (33.1 g per 100 g dry initial biomass) and 79.5% degree of crystallinity. About 76% of crop lignin (13.8 g per 100 g dry initial biomass) was recovered from the spent pulping liquor as a high purity reactive precipitated organosolv lignin. Response surface methodology was used for statistical modeling and optimization of the applied separation processes. The central composite rotatable design was applied to assess the effects of the principal technological parameters on the main reaction outputs.     

Residues of different gel formulations on dentinal walls: A SEM/EDS analysis

The aim of this study was to evaluate the presence of residues of sodium hypochlorite gel, chlorhexidine gel, and EDTA gel on dentinal walls after canal preparation through chemical SEM‐ elemental chemical microanalysis (EDS) analysis. Forty‐eight single‐rooted teeth were selected. They had their crowns sectioned and were instrumented with a reciprocating system. The canals were irrigated with 5 mL of saline solution during root canal preparation. After instrumentation, the root canals were irrigated with 3 mL 17% EDTA followed by 1 min of ultrasonic passive activation (3× 20 sec) to remove the smear layer, and then irrigated with 3 mL of saline solution. The specimens were randomized into three groups (n = 12) according to the chemical substance that filled the root canal for 30 min: GI: 5.5% sodium hypochlorite gel; GII: 2% chlorhexidine gel; GIII: 24% EDTA gel; Negative control group: no substance was used. Then, the root canals were irrigated with 6 mL of saline solution followed by 1 min of ultrasonic passive activation (3× 20 sec). After ultrasonic activation, the canals were irrigated with 2 mL saline. The roots were sectioned, and the percentage of each chemical element present in the samples was analyzed through chemical SEM‐EDS microanalysis. All experimental groups showed a significantly higher percentage of chemical elements (Na and/or Cl) than the control group (P < 0.03). This in vitro study has shown that, regardless of chemical solutions used even after the final irrigation protocol, chemical residues of different substances remained attached to the root canal walls. Microsc. Res. Tech. 78:495–499, 2015. © 2015 Wiley Periodicals, Inc.     

Value Stream Mapping: a study about the problems and challenges found in the literature from the past 15 years about application of Lean tools

Value stream mapping (VSM) is an important tool of the lean approach and is used to identify value-adding activities and those considered wasteful of materials and the flow of information and people. However, when not applied correctly, VSM can complicate the identification of waste, lead to misinterpretations and assessment mistakes, and undermine the implementation of future improvements. The purpose of this paper is to investigate the main difficulties and limitations encountered during the construction of current state maps, analysis of the associated causes, and pointing out of guidelines to facilitate the use of VSM to map processes. To do so, a search and evaluation of papers in journals, conferences, theses, and dissertations was conducted, and the articles were categorized according to the field of application (factory floor, supply chain, product development and services) and approach (theoretical or practical). In conclusion, this paper criticizes some ways that VSM has been used, observing that important constraints created by its application must be considered and that when used incorrectly, the tool can lead to mistakes that can cause problems instead of benefits. Considering the problems identified, the paper suggests future works for improving the use of VSM for mapping processes.     

New carbon composite adsorbents for the removal of textile dyes from aqueous solutions: Kinetic,equilibrium, and thermodynamic studies

New carbon composite materials were prepared by pyrolysis of mixture of coffee wastes and red mud at 700 °C with the inorganic: organic ratios of 1.9 (CC-1.9) and 2.2 (CC-2.2). These adsorbents were used to remove reactive orange 16 (RO-16) and reactive red 120 (RR-120) textile dyes from aqueous solution. The CC-1.9 and CC-2.2 materials were characterized using Fourier transform infrared spectroscopy, Nitrogen adsorption/desorption curves, scanning electron Microscopy and X-ray diffraction. The kinetic of adsorption data was fitted by general order kinetic model. A three-parameter isotherm model, Liu isotherm model, gave the best fit of the equilibrium data (298 to 323 K). The maximum amounts of dyes removed at 323 K were 144.8 (CC-1.9) and 139.5 mg g^?1 (CC-2.2) for RO-16 dye and 95.76 (CC-1.9) and 93.80 mg g^?1 (CC-2.2) for RR-120 dye. Two simulated dyehouse effluents were used to investigate the application of the adsorbents for effluent treatment.     

Predictive value of p63, ki‐67, and survivin expression in oral leukoplakia: A tissue microarray study

The aim of this study was to analyze the immunohistochemical expression of survivin, ki‐67, and p63 in oral leukoplakic lesions, histopathologically differentiated into dysplastic and nondysplastic. A tissue microarray containing 57 samples of biopsies from clinically classified lesions, such as leukoplakia, was immunolabeled for survivin, ki‐67, and p63. Samples were scored for percentage of positively stained. Scores were designated as follows: low = less than 25% of positive cells; and high = more than 25% of positive cells. On performing histopathological diagnosis, 20 dysplastic lesions and 37 nondysplastic lesions were seen, in which female patients (56.1%) were predominant with an average age of 58.27 years. The study showed a high expression of 37.5% for survivin, 43.7% for ki‐67, and 88.2% for p63 in dysplastic lesions. However, there was a high expression of 16.7% for survivin, 16.7% for ki‐67, and 92% for p63 in nondysplastic lesions. There is a positive correlation of expression among the three antibodies. In the association of immunoreactivity, in both dysplastic and nondysplastic lesions, increased expression of survivin reflects on the increased expression of ki‐67, and there is an overexpression of p63. In leukoplakia, the expression of survivin associated with that of ki‐67 reinforces the assumption that all these lesions are potentially malignant, regardless of histopathology; and the overexpression of p63 may indicate carcinogenic potential. These findings may help in the treatment of patients with this type of lesion.     

Post-embryonic development of the antennal sensilla in Melipona quadrifasciata anthidioides (Hymenoptera: Meliponini)

The sensilla are sensory organs formed by cuticular and cellular structures specialized in reception of chemical and physical stimuli from the environment and transmission to the insect's central nervous system. In function of the great concentration of sensilla, the antennae are the main organs for interaction between bees and with the environment. This work studied the presence of antennal sensilla in the different phases of pupal development of the stingless bee Melipona quadrifasciata anthidioides by means of scanning electron microscopy and light microscopy. The results showed that antennal sensilla begin their development in the transition of the prepupae to the white-eyed pupae and finish it in the pigmented-body pupae phase. The antennal sensilla were exposed to the environment in the black-eyed pupae when the old cuticle is completely digested, suggesting that only in the final pupal phases can these bees perceive the environmental stimuli.