Morphology of polypropylene/silica nano‐ and microcomposites

The aim of this study was to compare the effects of different silica grades on the structure and morphology of isotactic polypropylene (iPP)/silica composites to better understand their structure–property relationships. Isotactic polypropylene composites with 2, 4, 6, 8 vol % of added silica fillers differing in particle size (micro‐ vs. nanosilica) and surface modification (untreated vs. treated surface) were prepared by nonisothermal compression molding and characterized by different methods. The addition of all silica fillers grades to the iPP matrix significantly influenced the spherulitic morphology, while phase characteristics of the iPP matrix seemed to be unaffected. Surface modification of silica fillers exhibited stronger effects on spherulite size than size of silica particles. Nonpolar silica particles, more miscible or compatible with iPP chains than polar silica particles, enabled better spherulitic growth. The spherulite sizes tended to reach equal values at 8 vol % of added silicas showing that spherulite size became independent of filler concentration and surface modification above optimum filler concentration. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Chiral graphene nanoribbon inside a carbon nanotube: ab initio study

The dispersion-corrected density functional theory (DFT-D) is applied for investigation of structure and electronic properties of a sulfur-terminated graphene nanoribbon (S-GNR) encapsulated in a carbon nanotube. Two mechanisms of accommodation of the GNR in the carbon nanotube, distortion of the nanotube cross-section into an elliptic shape accompanied by bending of the GNR and transformation of the GNR to a helical conformation, are analyzed. Three types of elastic distortions of the nanotube and encapsulated GNR are revealed depending on the ratio of the diameter of the nanotube cavity to the GNR width. Helical states of the GNR are shown to be stabilized by the van der Waals attraction of sulfur atoms at neighbouring edges of adjacent turns of the GNR. The results of calculations are correlated with the experimental observations for the S-GNR synthesized recently inside the carbon nanotube. The hybrid DFT calculations of band structures of zigzag GNRs terminated with different atoms demonstrate that as opposed to O- and H-GNRs, the S-GNR is metallic even when deformed inside carbon nanotubes. Possible applications of GNRs encapsulated in carbon nanotubes are discussed.     

Quality of life in chronic hemodialysis patients in Russia

The aim of this cross-sectional study was to compare health-related quality of life (HRQOL) of Russian hemodialysis (HD) patients with the general population and international data, and to determine factors influencing HRQOL. One thousand forty-seven HD patients from 6 dialysis centers were studied (576 male, age 43.5 +/- 12.5 years, HD duration 55.0 +/- 47.2 months). Health-related quality of life was evaluated by SF-36. Self-appraisal Depression Scale (W. Zung), State-Trait Anxiety Inventory, and Level of Neurotic Asthenia Scale were used. Hemodialysis patients scored significantly lower than the general Russian population in the majority of SF-36 scales. The only exception was the Mental Health score, which was even better than the general population. The Mean physical component score (PCS) of HD patients was 36.9 +/- 9.7, and the mental component score was (MCS) 44.2 +/- 10.5. In multiple linear regression analysis, increasing age, HD duration, depression level and number of days of hospitalization in the past 6 months were significant independent predictors of low PCS along with a low level of serum albumin. Advancing age was also a predictive factor for low MCS along with increase of HD duration, depression level, trait anxiety, and level of asthenia. As far as we know, this is the first study to report on HRQOL of a large sample of Russian HD patients performed using SF-36. Compared with the general population, Russian HD patients had significantly lower scores on the majority of SF-36 scales, especially in the physical domain. The mean PCS and MCS were comparable with European data for HD patients. A number of demographic, clinical, and psychological variables affect HRQOL.     

Hydrogen production performance by Enterobacter cloacae KBH3 isolated from termite guts

Two out of six bacterial isolates obtained from the guts of Globitermes sp. termites were identified as hydrogen-producing bacteria. One isolate, Enterobacter cloacae KBH3, was characterised using the BIOLOG identification system and 16S rRNA gene analysis. In a batch fermentation study to evaluate its growth in defined medium, E. cloacae KBH3 produced 154 ml H₂ per litre medium with approximately 50% hydrogen content. The carbon utilisation results suggest that E. cloacae KBH3 have the potential to be a good hydrogen producer. This strain is also able to produce hydrogen within a wide range of temperatures (28–40 °C) and pH (4.5–8). In several fermentation runs, the pH of the culture dropped from 6.5 to 5.36 within the first 3 h, which was mostly due to the biosynthesis of formate. An increase of cumulative hydrogen production was recorded as well as a decrease in the concentration of formate, indicating the importance of the formate pathway for hydrogen production. The highest rate of hydrogen production of 180.74 ml H₂/l/h was achieved when lactate and acetate were at their highest concentrations. Most of the hydrogen gas was produced during the exponential growth phase, and the biogas continued to be produced during the stationary phase. The specific growth rate was calculated to be 0.224 per hour while the hydrogen yield was 1.8 mol of hydrogen per mol of glucose. At the end of the batch study, the highest cumulative hydrogen production was 2404 ml H₂ per litre of fermentation medium.     

Chemically functionalized water-soluble single-walled carbon nanotubes modulate morpho-functional characteristics of astrocytes

We report the use of chemically functionalized water-soluble single-walled carbon nanotubes (ws-SWCNTs) for the modulation of morpho-functional characteristics of astrocytes. When added to the culturing medium, ws-SWCNTs were able to make astrocytes larger and stellate/mature, changes associated with the increase in glial fibrillary acidic protein immunoreactivity. Thus, ws-SWCNTs could have more beneficial effects at the injury site than previously thought; by affecting astrocytes, they could provide for a more comprehensive re-establishment of the brain computational power.     

Companies' opinions and acceptance of global food safety initiative benchmarks after implementation

International attention has been focused on minimizing costs that may unnecessarily raise food prices. One important aspect to consider is the redundant and overlapping costs of food safety audits. The Global Food Safety Initiative (GFSI) has devised benchmarked schemes based on existing international food safety standards for use as a unifying standard accepted by many retailers. The present study was conducted to evaluate the impact of the decision made by Walmart Stores (Bentonville, AR) to require their suppliers to become GFSI compliant. An online survey of 174 retail suppliers was conducted to assess food suppliers' opinions of this requirement and the benefits suppliers realized when they transitioned from their previous food safety systems. The most common reason for becoming GFSI compliant was to meet customers' requirements; thus, supplier implementation of the GFSI standards was not entirely voluntary. Other reasons given for compliance were enhancing food safety and remaining competitive. About 54 % of food processing plants using GFSI benchmarked schemes followed the guidelines of Safe Quality Food 2000 and 37 % followed those of the British Retail Consortium. At the supplier level, 58 % followed Safe Quality Food 2000 and 31 % followed the British Retail Consortium. Respondents reported that the certification process took about 10 months. The most common reason for selecting a certain GFSI benchmarked scheme was because it was widely accepted by customers (retailers). Four other common reasons were (i) the standard has a good reputation in the industry, (ii) the standard was recommended by others, (iii) the standard is most often used in the industry, and (iv) the standard was required by one of their customers. Most suppliers agreed that increased safety of their products was required to comply with GFSI benchmarked schemes. They also agreed that the GFSI required a more carefully documented food safety management system, which often required improved company food safety practices and increased employee training. Adoption of a GFSI benchmarked scheme resulted in fewer audits, i.e., one less per year. An educational opportunity exists to acquaint retailers and suppliers worldwide with the benefits of having an internationally recognized certification program such as that recognized by the GFSI.     

A critical review of methods for characterisation of polyphenolic compounds in fruits and vegetables

Phenolic compounds, ubiquitous in plants, are of considerable interest and have received more and more attention in recent years due to their bioactive functions. Polyphenols are amongst the most desirable phytochemicals due to their antioxidant activity. These components are known as secondary plant metabolites and possess also antimicrobial, antiviral and anti-inflammatory properties along with their high antioxidant capacity. Many efforts have been made to provide a highly sensitive and selective analytical method for the determination and characterisation of polyphenols. The aim of this paper is to provide information on the most recent developments in the chemical investigation of polyphenols emphasising the extraction, separation and analysis of these compounds by chromatographic and spectral techniques.     

Simple way for preparation of ZnO films by surfactant mediated spray pyrolysis

Nanocrystalline porous ZnO films are deposited onto alumina foil substrates by polyvinyl alcohol (PVA) modified spray pyrolysis. Water and ethanol–water mixture were used for preparation of the sols. The effect of polyvinyl alcohol on the morphological and photocatalytical properties of ZnO films was studied. It was found that the polyvinyl alcohol plays important role in formation of porous films structure with ganglia like morphology. Relatively compact granular morphology was observed for the ZnO samples, grown without organic surfactant. The X-ray diffraction patterns revealed the formation of phase-pure ZnO thin films. The FTIR spectra and DTA-TG analyses of the precursor mixtures: Zn(CH₃COOH)₂·2H₂O and Zn(NO₃)₂·6H₂0 with PVA revealed that ZnO is formed before the final decomposition of the polymer at 350 °C.     

Global spectroscopy of the water monomer

Given the large energy required for its electronic excitation, the most important properties of the water molecule are governed by its ground potential energy surface (PES). Novel experiments are now able to probe this surface over a very extended energy range, requiring new theoretical procedures for their interpretation. As part of this study, a new, accurate, global spectroscopic-quality PES and a new, accurate, global dipole moment surface are developed. They are used for the computation of the high-resolution spectrum of water up to the first dissociation limit and beyond as well as for the determination of Stark coefficients for high-lying states. The water PES has been determined by combined ab initio and semi-empirical studies. As a first step, a very accurate, global, ab initio PES was determined using the all-electron, internally contracted multi-reference configuration interaction technique together with a large Gaussian basis set. Scalar relativistic energy corrections are also determined in order to move the energy determinations close to the relativistic complete basis set full configuration interaction limit. The electronic energies were computed for a set of about 2500 geometries, covering carefully selected configurations from equilibrium up to dissociation. Nuclear motion computations using this PES reproduce the observed energy levels up to 39?000?cm(-1) with an accuracy of better than 10?cm(-1). Line positions and widths of resonant states above dissociation show an agreement with experiment of about 50?cm(-1). An improved semi-empirical PES is produced by fitting the ab initio PES to accurate experimental data, resulting in greatly improved accuracy, with a maximum deviation of about 1?cm(-1) for all vibrational band origins. Theoretical results based on this semi-empirical surface are compared with experimental data for energies starting at 27?000?cm(-1), going all the way up to dissociation at about 41?000?cm(-1) and a few hundred wavenumbers beyond it.