Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces

Room temperature ionic liquids (RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. To explore the molecular mechanism, RTILs/carbon pieces mixture was investigated by molecular dynamics (MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide ([Bmim][DCA]). This study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presence of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. This work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties.     

Rapid identification of the quality decoction pieces by partial least squares ‐based pattern recognition: grade classification of the decoction pieces of Saposhnikovia divaricata

Herbal medicines are commonly used in many countries after they undergo processing. Quality decoction pieces are a guarantee of the efficacy and safety of the herbal medical products. Here, a strategy based on chemical analysis combined with chemometric techniques was proposed for the classification and prediction of the different grades of the decoction pieces. Considering the necessity for a shared and simple method for the grade classification for the public, in this paper, the characterization of the chemical constituents was determined by utilizing high‐performance liquid chromatography (HPLC)/diode array detection. HPLC was first established for the characterization of the chemical constituents of the different grade decoction pieces. Furthermore, a simultaneous quantification of several of the marker compounds in these decoction pieces was obtained. Finally, a partial least squares‐based pattern recognition method was utilized to obtain a predictive model for the grade classification of the decoction pieces. Saposhnikovia divaricata (Turcz.) Schischk was used as a case study. The partial least squares ‐based pattern recognition for the grade classification of the decoction pieces of S. divaricata demonstrated good sensitivity, specificity and prediction performance, which may efficiently validate the identification results of appearance assessment. The proposed strategy is expected to provide a new insight for the grade classification and quality control of the decoction pieces. Copyright © 2016 John Wiley & Sons, Ltd.     

Utilization of matrix-assisted laser desorption/ionization imaging mass spectrometry to search for cannabis in herb mixtures

Herb mixtures including cannabis among the other herbs have recently appeared. When cannabinoids from herb extracts are detected by chemical examinations such as gas chromatography/mass spectrometry, forensic analysts have to determine whether cannabis is actually in the mixture or the cannabinoids are spiked. Morphological examinations are time-consuming, since it is difficult to find several pieces of cannabis among a large number of herb pieces using a microscope. Here, we propose a procedure for efficiently searching for cannabis in herb mixtures using matrix-assisted laser desorption/ionization imaging mass spectrometry (MALDI/IMS). Pieces of herb mixtures were spread on double-sided adhesive tape attached to a stainless steel plate. The pieces were then covered with a conductive sheet and pressed. After a solution containing a matrix reagent was sprayed, the distribution of cannabinoids in the sample was visualized by MALDI/IMS. Then, just the pieces with cannabinoids could be picked up selectively with tweezers and decolorized. Cystolith hairs and trichomes, which are characteristic of cannabis, were observed in most of these pieces using a biological microscope. This MALDI/IMS procedure enables cannabis to be found in herb mixtures without inefficient random sampling and microscopic morphological examination.     

Thermal study of the fossilization processes of the extinct fishes in Araripe Geopark

The study of fossil materials is very important in the geological and biological researches. They can involve ancient past, evolution or extinction of species, oil prospecting and the understanding of different areas such as: paleoclimate, paleoecology, paleogeography, in addition of climate, environmental changes and life. Araripe Geopark is located in the south area of the Ceará state in the Northeast of Brazil and it provides a general overview of the Earth’s History. In this study the vertebral column extinct fish, Cladocyclus ferox and its nodule from Santana Formation, Northeast of Brazil, calcite and apatite minerals, and vertebral column of recent fish, Opisthonema oglinum were investigated by means of thermal analysis. TG/DTG and DTA curves showed decomposition processes, suggesting water evolution, calcium carbonate and phosphate decomposition and thermal transitions indicated that fossilization processes of fish, carbonaceous material involved the fossil after its death and the organic substance was replaced by inorganic compounds.     

Magnetothermal repair of a PMMA/iron oxide magnetic nanocomposite

We report on the magnetothermal repair of a thermoplastic magnetic nanocomposite consisting of iron oxide nanoparticles embedded in poly(methyl methacrylate) (PMMA). The nanoparticles responded to an applied alternating magnetic field by dissipating heat, raising the nanocomposite temperature to above the glass transition temperature and resulting in the repair of the nanocomposite. This was demonstrated by cutting the nanocomposite and subsequently joining two pieces together under the action of an alternating magnetic field. Examination by optical and transmission electron microscopy of the region where the two pieces were joined demonstrated the healing and disappearance of the interface between both pieces down to the nanoscale.     

Micro energy dispersive X-ray fluorescence analysis of polychrome lead-glazed Portuguese faiences

Several glazed ceramic pieces, originally produced in Coimbra (Portugal), were submitted to elemental analysis, having as premise the pigment manufacture production recognition. Although having been produced in Coimbra, their location changed as time passed due to historical reasons. A recent exhibition in Coimbra brought together a great number of these pieces and in situ micro Energy Dispersive X-ray Fluorescence (µ-EDXRF) analyses were performed in order to achieve some chemical and physical data on the manufacture of faiences in Coimbra.     

Thermal fracture of plastics

The extension and fracture under tension of poly(vinyl chloride) strips of different lengths have been studied. It was found that, in spite of decreasing strain rate, long pieces are subject to a type of brittle fracture (necking rupture) occurring immediately after neck formation. This result, which could be expected from previous work, is shown to depend on the elastic energy stored in the longer test pieces. This energy is converted to heat under conditions of neck formation, leading to a temperature rise of 24 ± 4°C, determined by a thermal imaging system. With short test pieces the rise in temperature is much smaller, and a transition to stable neck propagation occurs. Optical and electron micrographs provide additional evidence of heating at the fracture surface. A semiquantitative treatment of the adiabatic process gives upper and lower limits for the predicted temperature change neglecting thermal losses. It is also possible to estimate a minimum length for the initiation of adiabatic deformation. Both calculations give results in reasonable agreement with experiments. Observations with polycarbonate show a similar length effect at low temperatures.     

The selectivity of triethylene glycol modified glassy carbon electrode for charged and uncharged pieces

A triethylene glycol modified glassy carbon electrode(TEG–GCE) was fabricated by a controlledpotential electrolysis procedure. The performance of the film on the modified electrode surface was investigated by cyclic voltammetry with different probes. It was firstly found that while neutral pieces could penetrate the TEG film on the GCE surface, the ionic pieces, whatever it is anion or cation, was blocked by the film. This property was successfully used for determining dopamine(DA) in the presence of ascorbic acid(AA) with differential pulse voltammetry(DPV).     

Nondestructive activation analysis of ancient pottery by 14 MeV neutrons

The use of 14 MeV neutrons for the analysis of ancient pottery was investigated. Clay pieces from Arezzo and Northern Italy were quantitatively analysed in a completely nondestructive way. A comparison technique using Al-foils as a standard was introduced. The main components Si, Al, Mg and Fe could be evaluated within a short time with an error of a few percent. The grouping resulting from impressed seals on the clay pieces was in full agreement with that resulting from the chemical composition for the potsherds from Arezzo. An analysis of trace elements was also performed for a few samples, but it needs more time for irradiation and measurements.     

Rapid recognition of Chinese herbal pieces of Areca catechu by different concocted processes using Fourier transform mid-infrared and near-infrared spectroscopy combined with partial least-squares discriminant analysis

Rapid and sensitive recognition of herbal pieces according to different concocted processing is crucial to quality control and pharmaceutical effect.Near-infrared(NIR) and mid-infrared(MIR) technology combined with supervised pattern recognition based on partial least-squares discriminant analysis (PLSDA) was attempted to classify and recognize six different concocted processing pieces of 600 Areca catechu L.samples and the influence of fingerprint information preprocessing methods on recognition performance was also investigated in this work.Recognition rates of 99.24%,100%and 99.49%for original fingerprint,multiple scatter correct(MSC) fingerprint and second derivative(2nd derivative) fingerprint of NIR spectra were achieved by PLSDA models,respectively.Meanwhile,a perfect recognition rate of 100%was obtained for the above three fingerprint models of MIR spectra.In conclusion.PLSDA can rapidly and effectively extract otherness of fingerprint information from NIR and MIR spectra to identify different concocted herbal pieces of A.catechu.     

激光剥蚀-电感耦合等离子体质谱实现黄铁矿中多元素原位成像

采用激光剥蚀-电感耦合等离子体质谱( LA-ICP-MS)建立了单粒黄铁矿的多元素原位成像方法。在1mm×1mm的扫描区域内,获得有效计数点信息约5万个,总分析时间仅为1.5h。结果表明,此粒黄铁矿表面Fe、S元素的信号强度分布均匀,Fe/S比值数据集中,相对标准偏差仅为11.6%,这表明黄铁矿均质性较好,也表明本分析方法的稳定性较高。相对于围岩,黄铁矿表面的微量元素表现出的富集或亏损特征,可能与黄铁矿形成时的氧化还原环境和后期的次生改造作用有关。本方法将有助于LA-ICP-MS在单颗粒矿物分析中的推广应用,可为古环境、烃源岩和流体成藏等研究提供更直接、更准确的可视化实验数据。     

Decontamination of uranium-contaminated concrete

This study examined the decontamination method by washing with nitric acid for uranium contaminated concrete pieces produced from the decommissioning of a uranium conversion plant and evaluated the amount of waste sludge generated from the treatment. In addition, carbonate solution, nitric acid and sulfuric acid were used as the extraction reagents for the uranium, and their efficiencies were also compared. For concrete pieces coated with and without epoxy, the separation method of cement paste from aggregates was preferable to the leaching of uranium from concrete because of its simpler decontamination process. When concrete pieces with epoxy were heated for 2 h at 400 °C, pulverized and sequentially washed with 0.1, 2.0 and 1.0 M of nitric acid, their radioactivity reached below the limit value of uranium for self-disposal. Unlike previous results, uranium dissolved in 1 and 2 M sulfuric acid solutions was not removed by strong anion exchange resins such as IRA 910 and Ag1×8.     

Prompt gamma activation analysis for non-destructive characterization of chipped stone tools and raw materials

Recently, several archaeometrical projects were started on the prehistoric collection of the Hungarian National Museum. Among the analytical methods applied, non-destructive prompt gamma activation analysis (PGAA) has a special importance. Based on major-and trace components, characterization of stone tools and their raw materials were performed. Until now, 160 pieces from Carpathian Basin and from the surrounding area (Romania, Croatia, Ukraine, Poland and the Mediterranean region) have been analyzed, including both archaeological and geological pieces. Obsidian and Szeletian felsitic porphyry objects adequately separable with PGAA. Identification of high silica silex categories, however, is much more difficult.     

Anaerobic upflow fixed-film bioreactor for biomethanation of salty cheese whey

In order to develop a suitable reactor for the biomethanation of high-strength salty cheese whey, the performance of anaerobic upflow fixed-film reactors packed with different support materials, such as charcoal, gravel, brick pieces, pumicestones, and PVC pieces, has been studied. The charcoal-bedded reactor gave the best performance, with the maximum gas production (3.3 L/L digester/d) and an enriched methane content (69% CH₄). Temperature and hydraulic retention time were optimized, with the ultimate aim of improving biomethanation. Maximum gas production (3.3 L/L digester/d) was achieved at a hydraulic retention time of 2 d at 40°C.     

Determination of the major elements in homogeneous and heterogeneous samples by tandem laser-induced breakdown spectroscopy-partial least square regression

The tandem laser-induced breakdown spectroscopy-partial least square regression (LIBS-PLS) was applied for the analysis of both, a smelting product from a noble metal ore (as example of a homogeneous sample) and a calcareous rock from a Maya building (as a heterogeneous sample). The method was designed for the analysis of both samples without perceptible deterioration of the pieces, by monitoring the emission lines of the major elements present in each sample while subjecting the pieces to a number of laser shots. The results obtained, as well as the precision provided by the LIBS-PLS method, were statistically compared with those obtained by graphite furnace-atomic absorption spectroscopy (for Ag and Cu) and flame atomic emission spectroscopy (for Ca), showing good agreement between methods.     

Shielding ability of lead loaded radiation resistant gloves

The shielding ability of radiation resistant gloves was examined. The gloves are made of lead loaded (as PbO2) polyvinyl chloride resin and are about 0.4 mm in thickness (70 mg/cm2). Eleven test pieces were sampled from each of three gloves (total 33) and the transmission rates for radiations (X-ray or gamma-ray) through the test pieces were measured with radiation sources, 99mTc, 57Co, 133Ba, 133Xe and 241Am. The differences of the transmission rates for radiations by the positions of the gloves were smaller than 15%, and the differences by three gloves were smaller than 5% in the case of 60 keV and 141 keV radiations. The average transmission rates for radiations in the 33 test pieces were about 40% for 30 keV radiation, about 90% for 80 keV and 140 keV radiations. The shielding characteristic of the gloves is equivalent to about 0.026 mm thick lead plate.     

A comparison of tensile results obtained on rubber test pieces prepared by moulding,buffing and splitting

Buffing has been the accepted method of preparing tensile test pieces for many decades; tensile results from a wide range of rubber compounds have indicated that splitting with a leather splitting machine is equally satisfactory. Comparison of the ratios of tensile strength to elongation at break for orthogonally cut test pieces is a good indicator of grain effect, while similar comparison of the products of TS and EB gives an indication of the influence of surface texture. It has been established that milling grain or likely variation in the degree of cure has more influence on tensile test results than surface texture induced by the method of sample preparation. In general, buffing is the preferred method for soft compounds and splitting for hard ones.     

Measurement of dissolved oxygen during red wines tank aging with chips and micro-oxygenation

Nowadays, micro-oxygenation is a very important technique used in aging wines in order to improve their characteristics. The techniques of wine tank aging imply the use of small doses of oxygen and the addition of wood pieces of oak to the wine. Considering the low dissolved oxygen (DO) levels used by micro-oxygenation technique it is necessary to choose the appropriate measurement principle to apply the precise oxygen dosage in wine at any time, in order to assure its correct assimilation. This knowledge will allow the oenologist to control and run the wine aging correctly.This work is a thorough revision of DO measurement main technologies applied to oenology. It describes the strengths and weaknesses of each of them, and draws a comparison of their workings in wine measurement. Both, the traditional systems by electrochemical probes, and the newest photoluminescence-based probes have been used. These probes adapted to red wines ageing study are then compared.This paper also details the first results of the dissolved oxygen content evolution in red wines during a traditional and alternative tank aging. Samples have been treated by three different ageing systems: oak barrels, stainless-steel tanks with small oak wood pieces (chips) and with bigger oak pieces (staves) with low micro-oxygenation levels. French and American oak barrels manufactured by the same cooperage have been used.     

Hydrogen absorption kinetics of V–Al alloy

The vanadium–aluminum alloy has been prepared by aluminothermy process. The alloy ingot obtained was refined by electron beam melting and homogenized by vacuum arc melting technique. The refined alloy was crushed into small pieces. These pieces were kept isothermally in a thermobalance attached to the Sieverts apparatus for the hydrogen charging. Reacted fraction α was calculated using isothermal thermo-gravimetry method. The reacted fraction α–t data thus obtained have been linearly fitted over a suitable reaction mechanism function. Rate constants at different temperatures are determined using slope of these linearly fitted curves. Activation energy of hydrogen charging has been calculated using Arrhenius equation.