Miracle-dz/UniFAR-FTUs huggingface dataset:
The sorption of glucomannan and xylan on α‐cellulose wood fibers

The rates of sorption of spruce glucomannan and of a modified birch xylan (containing less than 3% uronic anhydride) upon never-dried α-cellulose wood fibers in 0.02N alkali have been measured at 4 temperatures ranging from 5–40°C. By labeling the glucomannan with carbon-14 and the xylan with tritium it was possible to measure the rates of sorption of each hemicellulose alone or in solution together at the same concentration. In both cases the rates of sorption of the glucomannan were about twice those for the xylan. Average activation energies (kcal./mole) derived from the rates were as follows: glucomannan alone, 3.8; glucomannan in admixture with xylan, 3.1; xylan alone or in admixture with glucomaunan, 6.3. The initial rates of sorption, estimated graphically by a methods which is shown to have severe theoretical limitations, gave higher values for the activation energies, viz.: glucomannan alone, 6.6; glucomannan in admixture with xylan, 5.8; xylan alone, 10.0; xylan in admixture with glucomannan, 10.1 kcal. /mole. All these values suggest that the sorption of both hemicelluloses is physical. Although the initial rate of sorption of the xylan was not significantly affected by the presence of the glucomannan, its total sorption after 10 min was reduced by an average of 18% when glucomannan was present. The lower rate of sorption of the xylan is ascribed to the presence of its uronic acid carboxylic groups. A small percentage of these groups can apparently override the conformational similarity of xylan and cellulose.
Application of strontium isotope abundance ratios measured by MC-ICP-MS for food authentication

Naturally occurring isotopes of such elements as strontium (Sr) have proved to be good tools for detecting trends in the soil-vegetation system and the tracing of a variety of objects. Multiple-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) has been used for the precise determination of variations in the isotopic composition of Sr. The method described has been applied to the establishment of the potential and limits to determine the geographical origins of different Emmental-type cheese samples. The sample preparation consists of (i) a freeze-drying procedure to remove water, (ii) an extraction step to eliminate the fat components and to obtain the cheese casein fraction, (iii) a thermal decomposition of the latter, and (iv) a chromatographic matrix separation of the redissolved residue. The determination of the isotope abundance ratios 88Sr/86Sr, 87Sr/86Sr and 84Sr/86Sr resulted in precisions of 0.002–0.01%. Simultaneously, the ion currents for krypton (83Kr, 82Kr) and rubidium (85Rb) were measured to correct for interferences with the Sr isotopes 84, 86 and 87. These and further (argide) spectral interferences causing bias effects to the Sr isotope abundance ratios have been investigated and an adequate computational correction procedure has been assessed. The whole set of validation data has been used for the calculation of the combined standard measurement uncertainty of the isotopic abundance ratio, resulting in a value of 0.016%. Comparison of the measured 87Sr/86Sr data with thermal ionisation mass spectrometric (TIMS) results, determined on the same cheese samples, agreed within the stated measurement uncertainties, thus indicating that both the validation of the sample preparation procedures and the mass spectrometric measurements cause no evident bias effect with respect to the Sr isotope abundance values. The 87Sr/86Sr isotope abundance ratios in cheese originating from different regions (alpine, pre-alpine, Bretagne, Finland, Canada, Australia) accorded to local geological properties. No difference was found between “casein-bound” and “whole-cheese” Sr isotope abundance ratios within the stated measurement uncertainties.
Synthesis of three-dimensional porous Cu 2 O microspheres by template-free solvothermal method

Three-dimensional (3D) porous Cu2O microspheres were successfully synthesised by a simple template-free solvothermal method. Systematic studies showed that solvent, precipitator and temperature reaction parameters played a key role in controlling the morphology and structure of Cu2O. The crystallisation, morphology and composition of the as-prepared Cu2O was characterised by X-ray diffraction, a scanning electron microscope and energy-dispersive spectroscopy, respectively. It revealed that the 3D porous Cu2O microspheres were built from small 2D nanosheets with a thickness of 50–80 nm. Cyclic voltammetry was applied to investigate the electrochemical performance of the products. It was found that the 3D porous Cu2O microspheres possessed high electrocatalytic activity. The growth mechanism of the 3D porous Cu2O microspheres was proposed with a 3D molecule model.
Influence of the plasma condition on the morphology of vertically aligned carbon nanotube films grown by RF plasma chemical vapor deposition

Vertically aligned carbon nanotube (VACNT) films have been grown by RF plasma chemical vapor deposition (RF-PECVD) with a controlling plasma condition. From the in situ optical emission spectroscopy (OES) and self-bias measurements, we have investigated the relationship between the morphology of VACNTs and the plasma condition in PECVD. CH radical and atomic hydrogen peaks were prominent in the OES spectra of CH4 plasma. The plasma condition was changed by varying the interelectrode distance in PECVD. With increasing interelectrode distance, the diameter and density of VACNTs increased as a result of the increase in plasma density, the fraction of CH radicals, and self-bias. It is likely that the fraction of CH radicals in plasma influences promotion of the growth of CNTs, while the self-bias induces their vertical alignment.
Hydrogen-treated WO3 nanoflakes show enhanced photostability

Here we report that photostability and photoactivity of WO3 for water oxidation can be simultaneously enhanced by controlled introduction of oxygen vacancies into WO3 in hydrogen atmosphere at elevated temperatures. In comparison to pristine WO3, the hydrogen-treated WO3 nanoflakes show an order of magnitude enhanced photocurrent, and more importantly, exhibit extraordinary stability for water oxidation without loss of photoactivity for at least seven hours. The enhanced photostability is attributed to the formation of substoichiometric WO3−x after hydrogen treatment, which is highly resistive to the re-oxidation and peroxo-species induced dissolution. This work constitutes the first example where WO3 can be stabilized for water oxidation in neutral medium without the need for oxygen evolution catalysts. The demonstration of electrochemically stable WO3 could open up new opportunities for WO3 based photoelectrochemical and photocatalytic applications.
CARBOXYL AND PHENOLIC HYDROXYL GROUPS IN SOME ORGANIC SOILS AND THEIR RELATION TO THE DEGREE OF HUMIFICATION

The degree of humification of 17 organic soil samples was determined by the pyrophosphate test of Dawson as described by MacLean et al. (5) and the colorimetric method of Kaila (4). The latter procedure, although more laborious, was preferred because of good replication and exclusion of the personal judgment of an observer.Treatment with HCl–HF solution resulted in a significant reduction in the ash content of most samples; concomitant losses of organic matter were less than 5%. The main effect of the HCl–HF treatment was to free carboxyl groups. By contrast, phenolic hydroxyl groups remained apparently unaffected. Carboxyls appeared to be the most reactive groups in these organic soil samples. Infrared spectra of untreated peats and of mucky peats exhibited bands at 1720 cm−1, indicative of the presence of free carboxylic acid groups. These bands were absent in the spectra of mucks. After the acid treatment, however, infrared spectra of mucks showed new strong bands at 1720 cm−1 and decreased absorption .
Resistivity and lifetime variation along commercially grown Ga‐ and B‐Doped Czochralski Si ingots and its effect on light‐induced degradation and performance of solar cells

A systematic study of the variation in resistivity and lifetime on cell performance, before and after light‐induced degradation (LID), was performed along ∼900‐mm‐long commercially grown B‐ and Ga‐doped Czochralski (Cz) ingots. Manufacturable screen‐printed solar cells were fabricated and analyzed from different locations on the ingots. Despite the large variation in resistivity (0·57–2·5 Ω cm) and lifetime (100–1000 µ s) in the Ga‐doped Cz ingot, the efficiency variation was found to be ≤ 0·5% with an average efficiency of ∼17·1%. No LID was observed in these cells. In contrast to the Ga‐doped ingot, the B‐doped ingot showed a relatively tight resistivity range (0·87–1·22 Ω cm), resulting in smaller spread in lifetime (60–400 µ s) and efficiency (16·5–16·7%) along the ingot. However, the LID reduced the efficiency of these B‐doped cells by about 1·1% absolute. Additionally, the use of thinner substrate and higher resistivity (4·3 Ω cm) B‐doped Cz was found to reduce the LID significantly, resulting in an efficiency reduction of 0·5–0·6%, as opposed to >1·0% in ∼1 Ω cm ∼17% efficient screen‐printed cells. As a result, Ga‐doped Cz cells gave 1·5 and 0·7% higher stabilized efficiency relative to 1 and 4·3 Ω cm B‐doped Cz Si cells, respectively. Copyright © 2005 John Wiley & Sons, Ltd.
An inverse model to estimate ammonia emissions from fields

This paper presents and evaluates an inverse model for estimating ammonia emission from agricultural land. The method is based on an analytical model derived from the advection‐diffusion equation, assuming power law profiles for wind speed and diffusivity. A three‐dimensional model and a two‐dimensional model are evaluated. The hypotheses of flux‐driven or concentration‐driven emissions are also tested. The model is evaluated against three datasets covering a range of ammonia fluxes, field geometry/size and measurement techniques. The sensitivity and the uncertainty of the method is also evaluated with a MonteCarlo approach, as well as based on existing datasets. Finally, the capability of the method to work with time‐integrated concentrations (e.g. using diffusive concentration samplers) is also evaluated. The inverse model gives estimations of the ammonia emissions within a few per cent of the measurements. Moreover, the method is mainly sensitive to the concentration, the friction velocity and the thermal stratification of the atmosphere. The two‐dimensional approaches give similar results to the three‐dimensional one, provided the field is large enough. The concentration‐driven hypothesis is similar to the flux‐driven hypothesis for a fetch greater than approximately 20 m. The results are discussed in comparison with the previous approaches: the Theoretical Profile Shape (TPS or Zinst approach) and the backward Lagrangian Stochastic model (BLS).
Vacuum ultraviolet photoionization and dissociative photoionization of W(CO)6

Photoionization of W(CO)6 in the photon energy range of 8–40 eV produced a variety of intermediate ions of the form (WCm(CO)n)x+. Photoionization efficiency (PIE) curves of these ions have been measured for the first time by using a time-of-flight mass spectrometer (TOFMS) with vaccum ultraviolet (VUV) photons from a synchrotron radiation source. Appearance potentials (AP) of all the observed ions have been determined from their PIE curves. Based on these AP values, we obtained a series of bond dissociation energy (BDE) data for the intermediate ions produced by the dissociative photoionization.
Fast Gel Permeation Chroma tog raphy

Abstract A systematic study of the major factors influencing fast analysis by gel permeation chromatography is presented. The study included the effects of (a) solvent flow rate [1–35 ml/min], (b) sample concentration [0.05–0.5%], (c) sample molecular weight [41–411,000 mol wt] and (d) particle size of column packing [10–42μ]. The effect of the operating temperature at the high flow rates was also investigated.
Synthesis of comb polyphenylenes by Suzuki coupling from AB macromonomers

INTRODUCTION Comb polymers, densely grafted polymer brushes, have been widely studied in recent years. They have various branching topologies because of the differences in grafting densities and side-chain lengths. Such differences bring in many new conformations and properties. Comb polymers have already worked in nature with particular functions such as proteoglycans which clean lung airways. Inspired by the proteoglycans, researchers are now preparing comb polymers with functional groups or side chains. Many works in drug-delivery carriers, molecular pressure sensors, and solid optical materials have been reported. Three synthetic strategies for preparing comb polymers are usually used, that is, “grafting to,” “grafting from,” and “grafting through. ” Among them, “grafting through” is the only way to prepare comb polymers with 100% grafting density and side chains having the same length.
Thermal conductivity of pressureless sintered Si3N4 ceramics with Li-exchanged zeolite

The effects of temperature on the thermal conductivity of Si 3 N 4 sintered with Li-exchanged zeolite were investigated. The highest conductivity was measured for the ceramics sintered with 10 % of additive. The complete -Si3N4 transfor- mation and maximum density (> 98 % TD) were attained with the sample sintered at 1650 oC. However, the results show that Al and O from the additive dissolve into the -Si 3 N 4 structure which act as phonon scattering sites resulting in a lowering of the conductivity and a weaker temperature dependance of the conductivity.
Accessing biological data with semantic web technologies

Background . Semantic Web technologies are increasingly used in biological database systems. The improved expressiveness show advantages in tracking provenance and allowing knowledge to be more explicitly annotated. The list of semantic web standards needs a complementary set of tools to handle data in those formats to use them in bioinformatics workﬂows. Methods . The approach proposed in this paper uses the Apache Jena library to create an environment where semantic web technologies can be use in the statistical environment R. The code is exposed as two R packages available from the Comprehensive R Archive Network (CRAN). The RJava library and a custom convenience class is used to bridge between R and the Jena library. Results . We here present two examples showing how the Resource Description Framework (RDF) and SPARQL query standards can be employed in R. The ﬁrst example takes input on BRCA1 SNPs from a BioMart and converts this into a RDF data set. The second example runs a query on an experimental remote SPARQL end point provided by Uniprot, and searches textual annotations of proteins encoded by the BRCA1 gene. Discussion . The two provided library bring basic semantic web technologies to R. While only a subset of Apache Jena is currently exposed, it provides key methods to deal with RDF data and resources. The libraries are freely available from the CRAN under the Aﬀero GNU Public License version 3: http://cran.r-project.org/web/ packages/rrdf/ .
Coupling multimodelling with local mesh refinement for the numerical computation of laminar flames

In this work, we propose a twofold adaptive method for the simulation of steady reactive flows. On the one hand, locally refined meshes are used. On the other hand, two types of diffusion models are applied: a simple Fick law and a more accurate multicomponent diffusion model. The diffusion model is changed locally throughout the computational domain. An analytically derived a posteriori error estimator provides reliable information on where to refine the mesh and where to choose the appropriate diffusion model. During the adaptation process, discretization and modelling errors are equilibrated. Numerical results are presented for ozone and hydrogen laminar flames.
First principles materials design for semiconductor spintronics

Materials design of new functional diluted magnetic semiconductors (DMSs) is presented based on first principles calculations. The stability of the ferromagnetic state in ZnO-, ZnS-, ZnSe-, ZnTe-, GaAs- and GaN-based DMSs is investigated systematically and it is suggested that V- or Cr-doped ZnO, ZnS, ZnSe and ZnTe are candidates for high-TC ferromagnetic DMSs. V-, Cr- or Mn-doped GaAs and GaN are also candidates for high-TC ferromagnets. It is also shown that Fe-, Co- or Ni-doped ZnO is ferromagnetic. In particular, the carrier-induced ferromagnetism in ZnO-based DMSs is investigated and it is found that their magnetic states are controllable by changing the carrier density. The origin of the ferromagnetism in the DMSs is also discussed.
Evaluation of nitroxides for the study of myocardial metabolism and oxygenation

Electron paramagnetic resonance spectroscopy at the L‐band (1.2 GHz) was used to investigate the redox metabolism and oxygenation within ischemic rat hearts loaded with a variety of six‐ and five‐membered carbocyclic nitroxide spin labels. Both cardiopleged and non‐cardiopleged hearts were studied at room temperature and at physiological temperatures. The results indicate that nitroxides that have greater intracellular partitioning are reduced faster than those that are extracellular. In addition, the six‐membered rings are metabolized much faster than the five‐membered rings. Increased nitroxide radical metabolism was observed in non‐cardiopleged compared with cardiopleged hearts. The oxygen utilization in the ischemic hearts was studied by using the oxygen‐dependent broadening of the nitroxide signals that occurs due to Heisenberg spin exchange. These structurally different nitroxides were evaluated for their sensitivity and suitability as probes of myocardial redox metabolism and oxygenation in the heart.
Anthrylmethylamine functionalised mesoporous silica-based materials as hybrid fluorescent chemosensors for ATP

A number of functionalised mesoporous solids containing anchored anthrylmethylamine groups have been prepared using different co-hydrolysis or grafting synthetic routes. The solids have been characterised using standard solid-state techniques. Solids with a low loading of the anthrylmethylamine probe show typical well defined and structured emission bands centred at ca. 415 nm. Addition of ATP to suspensions of these solids at pH 2.8 resulted in a quenching of the anthracene emission. These solids showed a cooperative effect that resulted in quite a remarkable improvement in ATP response with respect to the free anthrylmethylamine probe in solution. Certain prepared solids showed a remarkable detection limit for ATP detection in the micromolar range. An equation based on a Langmuir-type analysis has been developed and used to obtain binding constants (adsorption constants) for the interaction of the solids with ATP and with some related anions. Some other solids containing larger amounts of anthrylmethylamine groups have also been prepared. In these cases a dual monomer–excimer fluorescence emission was observed. ATP addition to these solids resulted in an enhancement of the excimer emission band.
Use of epoxy reactivity for compatibilization of PP/PBT and PP/LCP blends.

Binary blends of a reactive ethylene-based terpolymer with polybutylene terephthalate (PBT) and with a liquid crystalline polyester (LCP) were studied to clarify the possible interactions between the blended polymers. The aim was to determine the suitability of the reactive terpolymer containing epoxy reactivity as a compatibilizer in blends of polypropylene (PP) and these two polyesters. The binary blends exhibited increased viscosity during blending, changes in the crystallization of the PBT phase, and an intimate contact between the blended polymers, which pointed to strong interactions or chemical reactions between the compatibilizer and both PBT and LCP. FTIR analysis confirmed the reaction of the epoxide and formation of new esters. Most probably the carboxyl end groups of the polyesters reacted with the epoxy group of the compatibilizer. In the second part of the work the same terpolymer was shown to act as a compatibilizer in PP/PBT and PP/LCP blends. This behavior was based on good mixing with the PP phase and on the chemical reactivity or strong interactions with the polyesters demonstrated in the investigations on binary blends. Addition of 5 wt% of the compatibilizer improved the impact strength, especially in PP/PBT blends where synergistic behavior was found at compositions of 80/20 and 20/80. In PP/LCP blends, the compatibilizer significantly improved the impact strength of unnotched samples at 20 wt % LCP content. In both blends, the compatibilizer reduced the size of the dispersed domains and caused them to attach better in the matrix. © 1995 John Wiley & Sons, Inc.
A model of attractive interactions to account for fluid–fluid phase separation of protein solutions

Concentrated γ‐crystallin and lysozyme solutions have been reported to undergo a fluid–fluid phase separation when cooled below a critical temperature. This behavior is under control of the weak forces acting in solution between macromolecules. We have used small angle x‐ray scattering at the synchrotron radiation facility LURE (Orsay, France) to analyze the interaction potentials. A model of attractive interactions which depends upon three parameters, protein diameter, potential depth, and range, is able to account for both the x‐ray structure factors measured at high temperature and for the low temperature phase separation. Although van der Waals forces could be at the origin of the attractive interaction potentials, other more specific effects also contribute to the protein phase diagrams.
Site‐specific and Spatially Controlled Addressability of a New Viral Nanobuilding Block: Sulfolobus islandicus Rod‐shaped Virus 2

Nanotechnology seeks to mimic what nature has achieved: self‐assembly at the nanometer scale. Viral nanoparticles (VNPs) provide natural examples of self‐assembled architectures with unique structural and chemical properties. Here, the utilization of an archaeal virus, Sulfolobus islandicus rod‐shaped virus 2 (SIRV2), as a template for site‐selective and spatially controlled bioconjugation is described. SIRV2 is a virus of a hyperthermophilic and acidophilic host, the archaeon S. islandicus growing optimally at 80 °C and pH 3, and is thus, by its nature, an extremely stable VNP. The stability of SIRV2 in different solvent/water mixtures is monitored, and it is found that in other, non‐natural harsh conditions the VNPs also remained intact. Further, the question of whether the particles offer attachment sites allowing for selective chemical modification and decoration with functional ligands using biotin as a probe is addressed. It is found that carboxylate‐, carbohydrate‐ and amine‐selective chemistries are applicable and various biotinylated SIRV2 formulations can be fabricated. Depending on the chemistry and hence attachment site used, the display of the biotin labels can be spatially controlled at the virus body and at the ends. Labeling studies also provide novel insights into the structural properties of SIRV2, indicating that the major coat protein (CP) forms the virus body while the minor CP is located in the tail fibers at the end of the particles. Overall, SIRV2 represents an extremely stable and structurally interesting VNP with the potential for novel nanobiotechnological applications.