Miracle-dz/UniFAR-FTUs huggingface dataset:
Variations in the extractability of certain phenolic components in Vitis vinifera cv. ‘Blaufraenkisch’ clusters and wines as a function of vine load

During the course of research, the extractability of various phenolic compounds were analysed in ‘Blaufraenkisch’ berry skins and wines produced by six types of vine load. A sample of the berry skin was detached from the harvested crop and following the extraction with hydrochloric acid-methanol the composition of the extractive and the wines prepared by microvinification was analysed. During the course of the tests, the total polyphenolic-, anthocyanin-, leucoanthocyanin- and catechin content of the samples were measured by the application of the spectrophotometric method. Based on the measured data, the extraction coefficients (EC %) were calculated for each vine load, and then through the application of statistical methods, the data of three vintages were evaluated. The results revealed that extractability does not necessarily depend on the method of cultivation or the vine load. No significant differences were found pertaining to either the extractability of the total polyphenolic-, leucoanthocyanin- .
Catalytic Degradation of Rhodamine B with Cobalt Phthalocyanine Supported Hydrotalcites

Rhodamine B is one of biodegradable azo dyes. In this thesis, the CoPc-LDHs were prepared by applying cobalt phthalocyanine on the Mg-Al hydrotalcites, and catalytic oxidation decolorization of rhodamine B (RhB) was studied. The results shown that compared with H2O2, CoPc-LDHs play a key role in catalytic oxidation of RhB. The optimal conditions about CoPc-LDHs/H2O2 system were H2O2 (30% w/w) 1.50 mL, pH 7 and 62.5°C. The catalytic oxidation decolorization effect of RhB reduced with the increase of initial concentration of RhB.
Measurement and Modelling of Thermal Conductivity of Sponge and Yellow Cakes as a Function of Porosity

A review of the literature identified that there is significant scatter in the data for the thermal conductivity of cakes (including muffins). Most data have been obtained using the line source or thermal conductivity probe method. In this work the thermal conductivity of two types of cakes (sponge cake and yellow cake) were measured over a range of porosities, using a transient comparative method. The thermal conductivity data measured in this work were generally lower than the data measured by the probe or line source method; however, they appeared to lie on a similar curve to the data collated by previous workers who measured thermal conductivity at porosities outside the range considered in this work. The thermal conductivity of the cakes was modelled assuming the cakes were binary materials made up of a condensed phase and air, using equations that did not contain any empirical parameters. Of the eight thermal conductivity models considered, the effective medium theory model provided the most accurate predictions for thermal conductivity as a function of porosity.
Dipole-allowed excited states of N2: Potential energy curves, vibrational analysis, and absorption intensities

The three lowest adiabatic potential energy curves for each of the two dipole-allowed symmetries, 1Σu+ and 1Πu, are calculated in the multireference configuration–interaction framework. Diabatic potentials and corresponding coupling elements are obtained by diagonalizing the electronic operator r2 which serves to discriminate Rydberg and valence type states. A large basis set and judiciously chosen active orbital and configuration spaces furnish smooth and reliable potential curves. However, a vibrational analysis of the coupled systems in diabatic representation still shows some disappointing deviations from the experimental interference patterns of overlapping absorption bands that are highly sensitive to potential energy differences. Starting from the calculated curves, a fitting procedure accounting also for empirical information yields potential energy curves and diabatic coupling elements that reproduce all details of the experiment very well. These recommended results also serve to identify residua.
Synthesis of SiO2/PS composite particles via emulsion polymerization

SiO2 particles prepared by Stober method were modified using 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane (Vi-D4), and SiO2/polystyrene (PS) composite particles with core-shell structure were synthesized adopting mulsion polymerization of PS in a water–ethanol medium. The products were characterized by infrared spectra, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and Zetasizer analyzer. The average diameter of SiO2 particles prepared by Stober method was about 80 nm, the SiO2 particles were modified using the molar ratio of Vi-D4 and SiO2 particles 1 : 10 (the dosage of Vi-D4 benever too much), and the size of modified silica particles was about 90 nm. The infrared spectra indicated that the Vi-D4 had bonded to the silanol groups on surface of SiO2 particles, and XPS indicated the grafting efficiency of Vi-D4 on surface of SiO2 particles had reached 90%. The infrared spectra indicated the PS had been incorporated with SiO2 particles, and TEM indicated the composite particles have obvious core-shell structure. The suitable size of SiO2 particles should be lower than 200 nm, and the optimum volume ratio of ethanol and water should be 1 : 9 or 1 : 4. A kind of monodisperse SiO2/PS composite particles having function of self-assembling was successfully and effectively synthesized. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Analysis of organic residues of archaeological origin by high-temperature gas chromatography and gas chromatography-mass spectrometry

Organic residues are extracted from materials of archaeological interest by solvent extraction and subjected directly to high-temperature gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). The use of high-temperature GC allows intact acyl lipids, e.g., triacylglycerols, diacylglycerols, monoacylglycerols and wax esters, to be analysed without prior degradation (e.g., saponification) to release constituent fatty acids and alcohols. Trimethylsilylation is employed to block protic sites in free fatty acids and hydroxylated components. The data obtained from temperature programmed GC and GC-MS analyses, employing immobilised apolar (dimethyl polysiloxane type) stationary phases, provide essential compositional information that would be lost if the more conventional degradative approach to acyl lipid analysis was adopted.
Sterilization of E. coli bacterium in a flowing N2?O2 post-discharge reactor

Effective destruction of Escherichia coli (E. coli) bacteria has been obtained in a flowing N2–O2 microwave post-discharge reactor. The sterilizing agents are the O atoms and the UV emissions of NOβ which are produced by N and O atoms recombination in the reactor. In the following plasma conditions: pressure 5 Torr, flow rate 1 Ln min−1, microwave power of 100 W in a quartz tube of 5 mm, an O atom density of 2.5×1015 cm−3 is measured by NO titration in the post-discharge reactor with UV emission in a N2–(5%)O2 gas mixture. Full destruction of 1013 cfu ml−1 E. coli is observed after a treatment time of 25 min.
Real-Time Detection of Potassium Cyanide Pollution in Surface Waters Using Electric Organ Discharges Wave Emitted by the Tropical Fish, Apteronotus Albifrons

A new biological early warning system which exploits the electric organ discharges (EOD) of the South American tropical fish Apteronotus albifrons (Gymnotiformes) is described. Thanks to its neurogenic electric organ, this fish continually emits wave form electric signals. The time variations of the EOD frequency and wave form, two characteristics known to be very stable under constant ambient conditions, were recorded and analysed in a closed circuit to derive therefrom an assessment of the ability of A. albifrons to detect the presence of potassium cyanide. The ultimate aim is to incorporate the technique into a system for detecting changes in the quality of surface waters. The KCN detection threshold was found to be 35 µg. L−1. The response times in 50 % of fish sensors to detect the different cyanide concentrations tested (i.e. 35, 45, 70, 125 and 180 µg.L−1) were always shorter than half an hour. Minor cyanide concentrations provoked a fall in the EOD frequency while the number of pulses emitted per s.
Some Comments on a Recent Article Dealing with Three Aliphatic-Aromatic Polyesters and Their Spectral Identification

This work discusses the results appearing in Wu et al.’s (2014) article dealing with three aliphatic-aromatic polyesters based on terephthalic acid and their spectral identification. Using an instrument equipped with a switch that allows ions with masses below 5 kDa to be discarded (ion deflector), the authors report the MALDI spectrum of a commercial poly(ethylene terephthalate) with signals up to 80 kDa. I plot the spectral intensities and fit them with a Gaussian curve. The result is carefully examined. Thereafter, attention is moved to the MALDI spectra obtained when the ion deflector is turned off. A computation that gives the number-average and the weight-average molar mass (Mn and Mw) was performed, but the result was Mn = 1362 g/mol and Mw = 1416 g/mol. These values are much too low and they cannot be used. In order to explain this failure, I modified a model developed for poly(pentylene adipate). This hypothesis is discarded and the correct explanation is found. I also discuss other types of instrumentation, for instance, Py-GC/MS combined with library-search and also NMR spectroscopy, with specific reference to the chemical shifts of the -CH2- protons in aliphatic-aromatic polyesters.
The mediation model of influence of web site performance on needs for crisis communication in the case of toxic milk powder

Most lireraturcs concerning Internet public relat ions (PR) assumcd rhat "the viewpoint of traditional PR could be applied ro Internet PR. " Howcver, rhis assumption lacks empirical evidence and validiry. This a nicle is a case study on rhe crisis of toxic milk powder in 2008, for testing r:his assumption, a n online ex periment (N=402) was conducted. Resea rd1 findings suggested that the effect of corporare web si re performance on the needs for crisis communi cation was mediared by a ser of mediarors (i. c., OPR, crisis responsibiliry a nd sclf-efficacy), with OPR bei ng rhe most cr itica! in the model. The impona nce of rclarionship managemenr in both tradicional and Internet PR is madc cvident as a resulr of r:his rcsearch.
Lead removal from aqueous solutions by 732 cation‐exchange resin

Kinetics and thermodynamics of the removal of Pb2+ from an aqueous solution by 732 cation-exchange resin in hydrogen type (732-CR) were studied in the temperature range of 298–328 K and Pb2+ concentration range of 5–50 mol/m3. The effects of ion exchange temperature and initial lead ion concentration on the time evolution of the experimental concentration for the metal ion were investigated. Ion exchange kinetics of Pb2+ onto 732-CR follow the Nernst-Planck equation and unreacted-core model (UCM). The diffusion coefficients of counter ions and the efficient diffusion coefficient of lead ions within the resin were calculated. The results show that the ion exchange process is favoured under the particle diffusion control mechanism. The ion exchange isotherm data agreed closely with the Langmuir isotherm. The maximum monolayer exchange capacity for Pb2+ was found to be 484.0 mg/g at 308 K. Thermodynamic studies show that Pb2+ onto 732-CR is spontaneous and exothermic in nature. The ion exchange processes were verified by Energy Disperse Spectroscopy (EDS).
Polymer-Bound Fischer Tungsten Carbene Complexes: Synthesis and Reactivity

The solid-phase synthesis of polymer-bound tungsten Fischer carbene complexes of the types 8 and 16 is described. Starting with isocyanide ligands 5 and 14, readily available from the Merrifield resin 1, the pentacarbonyl(isocyanide)tungsten complexes 7 and 15 are efficiently formed. The synthesis of the corresponding methoxycarbene complexes 8a,b and 16a,b (a, R = Me; b, R = Ph) is undertaken under standard Fischer conditions. The solid-phase amination, methyl acrylate cyclopropanation, and C−H insertion arise as preliminary studies related to their reactivity.
Transforming an oxygen-tolerant [NiFe] uptake hydrogenase into a proficient, reversible hydrogen producer

Many hydrogenases are highly electroactive when attached to an electrode, and most exhibit reversible 2H+/H2 electrocatalysis, i.e. only a minuscule overpotential is required to drive the reaction in either direction. A notable exception is an important class of membrane-bound O2-tolerant [NiFe] hydrogenases that appear only to catalyse H2 oxidation (the uptake reaction), at a substantial overpotential and with little activity for H2 production, yet possess an active site that is structurally very similar to that of standard, reversible [NiFe] hydrogenases (Volbeda et al., Proc. Natl. Acad. Sci. U. S. A., 2012, 109, 5305–5310). In a discovery providing important insight into this puzzle, we show that the O2-tolerant [NiFe] hydrogenase (Hyd-1) from E. coli converts into a reversible electrocatalyst as the pH is lowered from 8 to 3 and becomes an efficient H2 producer below pH 4. The transformation to a reversible electrocatalyst is not due, trivially, to the higher substrate (H+aq) availability at low pH but to a large shift in the enzyme's catalytic bias. Systematic investigations provide compelling evidence that the factor controlling this behaviour is the distal [4Fe–4S] cluster, a spectroscopically elusive site that provides the natural entry point for electrons into the enzyme. In E. coli cells, Hyd-1 is located in the periplasmic (extracytoplasmic) compartment and thus, being exposed to the pH extremes of the gastrointestinal tract or the external environment, is a potential catalyst for H2 production by these bacteria. In a wider context, the observation and proposal are highly relevant for biohydrogen production and catalysis.
Biphenylene end-capped polyquinoline and polyimide prepolymers as matrix resins for high-use-temperature composites

Preparation de composites renforces de graphite a partir des prepolymeres du titre. Excellentes proprietes initiales et faible perte de poids apres vieillissement oxydant a 316°C. Les proprietes mecaniques sont fortement diminuees apres vieillissement de 50-100 h a 316°C dans l'air et les photomicrographies montrent la presence de vides
Degradation of Polyvinyl Alcohol in Sequencing Batch Reactors

This paper presents the experimental results of degradation of polyvinyl alcohol (PVA) in sequencing batch reactors (SBR) under different operating conditions. The set up of an anaerobic mixing period in an SBR's cycle did not benefit for PVA degradation, while the introduction of nitrate (NO3-N) could slightly increase PVA removal efficiency. But the induced denitrification might lead to the formation of some intermediates which were degraded with a great difficulty during the subsequent aeration period, resulting in relatively a poorer chemical oxygen demand (COD) reduction. An anaerobic SBR seeded with anaerobic sludge could partly hydrolyze and acidify PVA into readily-degradable intermediates, which were subsequently treated through a 14-h aeration in a conventional SBR, a total PVA reduction of 91.8% could be achieved. The fill mode had no significant influence on the performance of SBRs treating PVA-containing wastewater. For making full use of the purification capability of the SBR during the fill.
Fragmentation pathways of negative ions produced by electrospray ionization of acyclic dicarboxylic acids and derivatives

Fragmentation pathways have been studied on the monoanions formed during electrospray ionization of a wide range of aliphatic dicarboxylic acids and their monoesters. All negative ion spectra were obtained from alcoholic or aqueous methanolic solutions without buffers or adjustment of pH, using either a Finnigan LCQ ion trap or a VG-Micromass Quattro triple quadrupole mass spectrometer. Fragmentation pathways were studied using collision-induced dissociation and isotopic-labelling techniques. Two primary fragmentation pathways of the dicarboxylic acid monoanions were observed, namely decarboxylation of the non-ionized carboxyl group and loss of water from this group. The fragmentations were strongly dependent on the chain lengths of the diacids. In the case of a monoester anion, loss of a molecule of alcohol paralleled the loss of water from the diacid monoanion. Losses of water or alcohol were shown to lead to formation of reactive ynolate anions (HOOC(CH2)xC≡CO, x = 39), which in the ion trap spectrom.
Robust, High-Density Zinc Oxide Nanoarrays by Nanoimprint Lithography-Assisted Area-Selective Atomic Layer Deposition

Polymer templates realized through a combination of block copolymer lithography (BCL) and nanoimprint lithography (NIL) are used to direct atomic layer deposition (ALD) to obtain high-quality ZnO nanopatterns. These patterns present a uniform array of ZnO nanostructures with sub-100 nm feature and spatial resolutions, exhibiting narrow distributions in size and separation, and enhanced mechanical stability. The process benefits from the high lateral resolutions determined by the copolymer pattern, controlled growth rates, material quality and enhanced mechanical stability from ALD and repeatability and throughput from NIL. The protocol is generic and readily extendible to a range of other materials that can be grown through ALD. By virtue of their high feature density and material quality, the electrical characteristics of the arrays incorporated within MOS capacitors display high hole-storage density of 7.39 × 1018 cm–3, excellent retention of ∼97% (for 1000 s of discharging), despite low tunneling oxide.
Synthesis of Microporous Carbon Nanofibers and Nanotubes from Conjugated Polymer Network and Evaluation in Electrochemical Capacitor

One‐dimensional fibers and tubes are constructed through the oriented carbon‐carbon cross‐linking reactions towards rigid conjugated polymer networks. As the result, a template‐free and one‐step synthesis of CNTs and CNFs is achieved through a simple carbonization of the as‐formed carbon‐rich tubular and fiberlike polyphenylene precursors under argon. Microporous CNTs and CNFs with a surface area up to 900 m2 g–1 are obtained, together with HR‐TEM characterizations indicating the formation of intrinsic microporous structure in these rigid carbon‐rich networks. The primary electrochemical experiments reveal their promising applications as advanced electrodes in electrochemical double‐layered capacitor (EDLC).
Manipulation of Microfluidic Flows Using Time Dependent Wall Temperatures

One module in a bioagent detector currently under development involves a flow-through PCR module [1] [3] [4]. Conventional, flow-through PCR devices utilize three heaters to obtain the required temperatures in each zone, the length of which is specified by the required sample residence times. An alternate design uses two wall heaters with substrate conduction supplying the center zone temperature. The concept of using a conduction based PCR device led to an extensive computational study of various channel wall temperature profiles that would produce enhanced mixing in a variety of microfluidic devices. The results are applicable to micro channel designs in general even tough motivated by the conduction based PCR configuration. The lattice Boltzmann (LB) method was used to perform low Reynolds number (typically Re=0.10) simulations for two and three dimensional channel geometries having various wall temperature distributions. The momentum and thermal lattice Boltzmann equations were coupled via a body force term in the momentum equation. Initial computations using two- and three-heater configurations in two dimensions demonstrated excellent comparisons with published data provided that both the top and bottom walls were heated. If only one wall was heated, large vertical thermal gradients occurred resulting in non-uniform temperature fields. However, when the same conditions were applied to three dimensional channels, lower temperatures were observed in the center of the channel regardless of the wall temperatures or channel aspect ratio. Parametric studies were performed to evaluate the effects of thermal coupling, thermal diffusion coefficients, entrance temperatures, wall temperature configurations and channel geometry. If was found that moderate variation of the thermal diffusion coefficient produced only minor differences in the temperature field, and large changes in the thermal coupling magnitude demonstrated transition from natural to forced convection flows. The simulations also indicate that the largest effect on flow and temperature uniformity arises from the applied wall temperature distribution (various thickness channel walls). It was found, in 2D, that if the channel wall starts from ambient temperature, the applied heating, on the outer surfaces only, may not result in the desired wall or fluid temperatures. However, once the channel walls are heated to a uniform temperature, excellent temperature distributions are obtained for both thick and thin channel walls. Additionally, a checkerboard pattern of wall heaters was used to test its application to promoting mixing. Results were favorable in creating enhanced mixing; however, the temperature pattern did not produce uniform temperature profiles in the channel.Copyright © 2004 by ASME
Mixed Convection Over a Backward-Facing Step in a Vertical Duct Using Nanofluids—Buoyancy Opposing Case

Predictions are reported for buoyancy-opposing laminar mixed convection using nanofluids over a backward-facing step in a vertical duct, in which the upstream wall and the step simulated are adiabatic surfaces, while the downstream wall from the step is heated to a uniform temperature that is higher than the inlet fluid temperature. The straight wall that forms the other side of the duct was maintained at constant temperature equivalent to the inlet fluid temperature. The conservation equations are solved using the finite volume method. Eight different types of nanoparticles, Au, Ag, Al2O3, Cu, CuO, diamond, SiO2, and TiO2, with 5% volume fraction are used. Results presented in this paper are for a step height of 4.9 mm and an expansion ratio of 1.942, while the total length in the downstream of the step is 0.5 m. The Reynolds number is in the range of 33� 3 ≤ Re ≤ 100. The downstream wall was fixed at uniform wall temperature in the range of 0 ≤ �T ≤ 30 � C which is higher than the inlet flow temperature. Results reveal that the recirculation region that develops behind the backward-facing step in the case of forced convection and low buoyancyopposing level disappears when the buoyancy-opposing increases. An upward opposing flow is developed at the heated downstream wall from the exit to the step wall at high Reynolds number and high temperature difference, while at low Reynolds number and high temperature difference; the upward opposing flow is passed over the step wall and a shallow recirculation region is formed on the adiabatic upstream wall. It is found that SiO2 nanofluid has the highest Nusselt number at the highest buoyancy level. The skin friction coefficient decreases as Reynolds number and Prandtl number increase.