Miracle-dz/UniFAR-FTUs huggingface dataset:
Activation and Impregnation of Chars — Nutshells and Pinewood Sawdust

The utilization of activated carbons as catalyst supports for the treatment of gaseous effluents contaminated with volatile organic compounds allows advantage to be taken both of the adsorption of the pollutant on the well-developed porous texture of activated carbons and the possibility of an efficient catalytic conversion. The step of catalyst impregnation should be optimized to obtain a catalyst dispersion compatible with good conversions at sufficiently low temperatures. Textural evolution when impregnation is performed either on the raw material or after activation of the latter has already been well studied. The work described in this paper was directed towards an analysis of the textural evolution of impregnated active carbons when the impregnation step was performed between carbonization and activation. To date, such knowledge is quite scarce. To allow comparison, impregnation with CoO, Co3O4 or CrO3 was carried out both after activation and after carbonization of nutshells and pinewood sawdust. For both raw materials, impregnation after activation involved deposition of the impregnated oxides on the internal surface of the materials thereby blocking part of the initial micro- and meso-porous textures. When impregnation was conducted after carbonization, metal species acted as catalysts during the subsequent activation step (Co3O4 being the most efficient and CrO3 the least efficient) and allowed the better development of the porous texture. In nutshell carbons, the metal species remained dispersed in micropores with a smaller volume but a larger size and in the mesoporous texture with a larger volume. Sawdust carbons retained a microporous texture with narrow pores in which the deposition of catalysts did not occur.
Impact of Zataria multiflora Essential Oil, Nisin, Potassium Sorbate and LDPE Packaging Containing Nano-ZnO on Shelf Life of Caviar

Caviar is one of the most luxury foods in the world. In addition to the traditional method (using salt and preservative with low temperature), there are various methods to extend the shelf life of caviar. The main objectives of this study were to evaluate the capabilities of Zataria multiflora essential oil (0.03%, 0.06%(W/W)), nisin (9, 18 mg/kg), potassium sorbate (500 and 1000 mg/kg) and LDPE package containing 0.4 and 1%(W/W) nano-ZnO on the shelf life, as a new approach in caviar. Total aerobic bacteria, molds & yeasts and color of samples were evaluated immediately after packaging and after 30, 60, 90, 120 and 150 days of storage. Results showed that LDPE package containing 1%(W/W) nano-ZnO have the most capability to control total aerobic bacteria. While for molds and yeasts count, 0.06%(W/W) Zataria multiflora essential oil had the most significant effect on the caviar samples (p < 0.05). For color changes analysis, there were significant differences between all of the treatments except 500 mg/kg potassium sorbate and 18 mg/kg nisin. Minimal color changes were observed in caviar samples packaged in LDPE film containing nano-ZnO. The results also showed a considerable Zn migration from package to caviar that its rate increased after 40 days.
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

Starting from the question of why dielectric continuum models give a fairly good description of molecules in water and some other solvents, a totally new approach for the calculation of solvation phenomena is presented. It is based on the perfect, Le. , conductor-like, screening of the solute molecule and a quantitative calculation of the deviations from ideality appearing in real solvents. Thus, a new point of view to solvation phenomena is presented, which provides an alternative access to many questions of scientific and technical importance. The whole theory is based on the results of molecular orbital continuum solvation models. A few representative solvents are considered, and the use of the theory is demonstrated by the calculation of vapor pressures, surface tensions, and octanol/water partition coefficients.
CIGSSE module pilot processing: from fundamental investigations to advanced performance

A process for high efficiency large area Cu(In,Ga)(Se,S)/sub 2/ thin film (ClGSSe) solar modules is developed applying rapid thermal processing and controlled sodium doping. Continuous optimization targets at sufficient process maturity to successfully transfer into cost effective mass production. The pilot line yields aperture area efficiencies of 11% (average) for 30/spl times/30 cm/sup 2/ modules and a certified champion efficiency of 13.1% for the first 60/spl times/90 cm/sub 2/ demonstrator module unencapsulated. A favourable double band gap grading structure is accomplished by controlled sulfur profiling and by natural gallium accumulation towards the back electrode. The stability of the frameless low cost packaged pilot line modules against humidity is confirmed externally by passing the damp heat test sequence according to IEC 61646. First Cd-free 30/spl times/30 cm/sup 2/ circuits yield up to 11.9% efficiency applying CBD-Zn(S,OH)-buffer layers.
DFT study of conductive properties of three polymers formed by bicyclic furans

Density functional theory methods were employed to study the electronic, structural and conductive properties of classical bicyclic furans. In this paper, studies of monomers, oligomers and polymers of furo[3,4-b]furan, furo[2,3-b]furan and furo[3,2-b]furan are presented. To gain detailed information on conjugational degree, we selected the nucleus-independent chemical shift as a method for examining the changes in conjugational degree. Furthermore, three parameters of density of state, effective mass (m*) and kinetic model of mobility (μ) were also investigated. The variable trends of all parameters from monomers to tetramers indicate that poly(4,4′-bifuro[3,4-b]furan), poly(trans-2,2′-bifuro[3,2-b]furan) and poly(cis-2,2′-bifuro[3,2-b]furan) are good candidates for conductive materials, which are consistent with band structure analyses showing that the three polymers had narrower band gaps (1.21, 1.93 and 1.89 eV, respectively) than other polymers.
Microwave Reactors: A Brief Review on Its Fundamental Aspects and Applications

Improved laboratory protocols for convenient and rapid transformations are highly desired in modern synthetic chemistry. Microwave irradiated reactions have received considerable attention in recent years and it is a subject of intense discussion in the scientific community. Microwave heating is more efficient in terms of the energy used, produces higher temperature homogeneity and is considerably more rapid than conventional heating methods. This technique as an alternative to conventional energy sources for introduction of energy into reactions has become a recognized practical method in various fields of chemistry. Microwave-assisted organic synthesis (MAOS) is known for the spectacular accelerations produced in many reactions as a consequence of the increased heating rate, a phenomenon that cannot be easily reproduced by classical heating means. As a result, higher yields, milder reaction conditions and shorter reaction times can often be attained. Its specific heating method attracts extensive interest not only because of rapid volumetric heating, but also for suppressed side reactions, energy saving, decreased environmental pollutions and safe operations. In this review, we will try to represent an overview on origin and fundamental features of microwave ovens and its usefulness in MAOS.
Reduced chemical sputtering of carbon by silicon doping

Doping is a widely used method to enhance the properties of materials. Despite the recently increased understanding of the mechanisms of chemical erosion by low-energy hydrogen ions, the effect of doping on these types of processes is still not well understood. We study the erosion of Si-doped (0–30 at. %) carbon under 20 eV deuterium irradiation using molecular dynamics simulations. We show that the chemical sputtering of carbon decreases with increasing Si concentration. The reasons for the reduced sputtering yield lie in the longer Si–C interaction lengths and efficient dynamic rebonding of hydrocarbon species.
Optical microarray biosensing techniques

Microarrays provide a powerful analytical tool for the simultaneous analyses of thousands of parameters, be they DNA or proteins, in a single experiment. However, a number of challenges continue to hinder the widespread application of microarray assays for analytical and diagnostic purposes. Advances in detection methods can help overcome some of these challenges by improving sensitivity and reliability in signal detection and by enabling real‐time detection of binding events. Thus, the aim of this review is to highlight the most promising optical microarray biosensing techniques. The principles of techniques making use of labels, including scanner type, total internal reflection type, fiber‐optics‐based, and SPR‐enhanced fluorescence, are described, along with a brief summary of labeling strategies. State of the art label‐free techniques, including imaging SPR and imaging ellipsometry, are also reviewed. Examples of microarray‐based assays using each technique are given to illustrate both their usefulness and their limits of detection. Furthermore, the most competitive commercial microarray systems are presented and compared with one another in the context of their detection system. Finally, a discussion of the remaining challenges as well as trends and future applications of microarrays are presented in the context of optical sensing. Copyright © 2006 John Wiley & Sons, Ltd.
IR investigations of water structure in aerosol OT reverse micellar aggregates

The structure of water in bis(2-ethylhexyl) sodium sulfosuccinate (AOT) micelles has been studied as a function of the [H 2 O]/[AOT] ratio (W) by using the absorption IR due to O-H stretching modes in the 3800-3000-cm -1 range and the 1928-nm absorption of water usually assigned to a combination mode of asymmetric stretching and bending vibrations. The results show that the IR spectra can be expressed as sum of contributions from interfacial and bulklike water. The fraction of water in the two «regions» within the water pool was evaluatcd as a function of W. On increasing W, the IR spectra change significantly up to W ∼6 and then, at higher water contents, gradually approach those of bulk water
Experimental and theoretical evaluation of nanodiamonds as pH triggered drug carriers

Nanodiamond (ND) and its derivatives have been widely used for drug, protein and gene delivery. Herein, experimental and theoretical methods have been combined to investigate the effect of pH on the delivery of doxorubicin (DOX) from fluorescein labeled NDs (Fc-NDs). In the endosomal recycling process, the nanoparticle will pass from mildly acidic vesicle to pH ≈ 4.8; thus, it is important to investigate DOX release from NDs at different pH values. Fc-NDs released DOX dramatically under acidic conditions, while an increase in the DOX loading efficiency (up to 6.4 wt%) was observed under basic conditions. Further theoretical calculations suggest that H+ weakens the electrostatistic interaction between ND surface carboxyl groups and DOX amino groups, and the interaction energies at pH 7 are 10.4 kcal mol−1, 25.0 kcal mol−1 and 27.0 kcal mol−1 respectively. Cellular imaging experiments show that Fc-NDs are readily ingested by breast adenocarcinoma (BA) cells and cell viability tests prove that they can be utilized as a safe drug delivery vehicle. Furthermore, pH triggered DOX release has been tested in vitro (pH 7.4 and pH 4.83) in breast adenocarcinoma (BA) cells.
Microgel‐Stabilized Metal Nanoclusters: Size Control by Microgel Nanomorphology

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Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels

Abstract The kinetics of cation ordering (quench method) in two natural Mg(Al2-yCry)O4 spinels (y~ 0.03-0.06 and 0.24), highly ordered in terms of Mg-Al, were studied by means of X-ray single-crystal diffraction. The equilibrium distribution of Mg and Al between tetrahedral and octahedral sites was investigated at 650 °C (in disordering and ordering) and at 850 °C (in ordering), through several time-steps to monitor the rate of cation distribution before equilibrium was achieved. The cation distributions for both disordering and ordering experiments were obtained by measuring the oxygen positional parameter u, which is correlated to the inversion parameter x (Al in T site), and then to the composition of the samples. The Mueller kinetic model, satisfactorily applied to the experimental data, allowed the calculation of the kinetic ordering constants K, linearly related to temperature by means of Arrhenius equations. The kinetics of ordering processes are influenced by Cr content. The equilibrium for both the isotherms at 650 and 850 °C was reached at different elapsed times by the low- and high-Cr spinels: the time for the low-Cr sample was, in both the ordering experiments, about double that of the high- Cr sample. Consequently, the activation energy (186 and 175 kJ/mol for low- and high-Cr samples, respectively) for the intracrystalline Mg-Al ordering decreases with Cr increase.
Isotopic and Elemental Imaging of Geological Materials by Laser Ablation Inductively Coupled Plasma‐Mass Spectrometry

Laser ablation ICP‐MS represents a promising new development for the acquisition of elemental and isotopic images from a variety of different materials. Compared to existing methods for imaging, it offers relatively rapid throughput, very wide dynamic range, a relatively clean mass spectrum, utility at a variety of scales (from μm to cm) and multi‐element/isotopic capability. Although developing rapidly in the biological sciences, the method has not yet seen widespread application to geological materials. This contribution documents some preliminary experiments aimed at understanding the fundamental aspects of elemental and isotopic image acquisition using laser ablation ICP‐MS. In particular, we note that ablation cell designs must be optimised to promote rapid system response, in contrast to the signal‐smoothing that is often preferred for simple spot analyses. Furthermore, experimental parameters must be carefully evaluated on a system‐by‐system basis to avoid the blurring effects of re‐sampling phenomena. With careful attention to these details, and development of appropriate data processing software, laser ablation ICP‐MS imaging has much to offer workers in the Earth and environmental sciences.
Versatile Cyclization of Aminoanilino Lactones: Access to Benzotriazoles and Condensed Benzodiazepin‐2‐thiones

Abstract Furanone 3 and pyranone 4 were obtained by the reaction of o‐phenylene derivatives with tetronic acid 1 or pyrone 2, respectively. Under diazotization reaction, these two enaminone derivatives 3 and 4 cyclized rapidly with good yields to generate benzotriazoles 5. On the other hand, when enaminones 3 and 4 were allowed to react with carbondisulfide as electrophile, cyclization led to benzodiazepin‐2‐thiones 6 fused to dihydropyrone or tetronic acid moieties.
Sonochemical Proparation and Characterization of Nanocrystalline Copper Oxide Embedded in Poly(vinyl Alcohol) and its Effect on Crystal Growth of Copper Oxide

Uniformly dispersed copper oxide nanoparticles in poly(vinyl alcohol) (CuO−PVA) have been synthesized by the sonochemical method. The properties of the as-prepared composite material are characterized by XRD, DSC, thermogravimetric analysis (TGA), TEM, and diffuse reflection spectroscopy (DRS). A band gap of 2.1 eV is estimated from DRS measurements. The controlled crystal growth of copper oxide has been studied by using the as-prepared CuO−PVA composite as seed for the crystal growth of copper oxide. Well-shaped crystals of 1 μm in length were grown.
Temperature-induced apparent mass changes observed during quartz crystal microbalance measurements of atomic layer deposition

The quartz crystal microbalance (QCM) is a valuable in situ probe of surface chemistry and film growth during atomic layer deposition (ALD). Unfortunately, the QCM is sensitive to both mass and temperature effects that complicate the interpretation of QCM measurements. To characterize the temperature effects, QCM measurements are performed at 170 °C in a hot-wall, ALD flow reactor using pulses of inert and other unreactive probe gases that simulate reactant dosing during ALD. The difference between the probe gas temperature and the QCM sensor temperature is shown to cause instantaneous positive or negative apparent mass transients during the gas pulse. In addition, there is a net apparent mass drift after the gas pulse. The apparent mass transients and apparent mass drifting can lead to misinterpretation of ALD surface chemistry and produce error in measured ALD growth rates. Temperature-induced apparent mass changes are shown to be affected by the temperature profile in the ALD flow reactor before the QC.
Highly active and recyclable silica gel-supported palladium catalyst for mild cross-coupling reactions of unactivated heteroaryl chlorides

Silica gel-supported β-ketoiminatophosphane-Pd complex (Pd@SiO2) was shown to be a highly active and long-lived catalyst for aqueous Suzuki, Stille and Sonogashira coupling reactions of heteroaryl chlorides. A wide range of heteroaryl chlorides could be efficiently coupled with different nucleophilic partners in the presence of only 0.5 mol% catalyst and under mild conditions. This is one of the most powerful heterogeneous catalysts for the couplings of diverse heteroaryl chlorides. Furthermore, the catalyst could be reused with almost consistent activity.
Microprobe Raman spectroscopy of TiN coatings oxidized by solar beam heat treatment

Physical vapor deposited TiN coatings oxidized by solar beam heat treatment in air were examined by microprobe Raman spectroscopy. The Raman spectra of TiN treated at 400 °C indicated incipient oxidation by the presence of anatase TiO_2 and additionally showed a broadband feature around the forbidden TiN vibrational mode. Inhomogeneous mixtures of rutile TiO_2 and small amounts of anatase polymorph (< 10%) were detected for the treatments at 600 °C only during the initial stage of oxidation. Prolonged treatment at 600 °C resulted in a complete anatase-to-rutile conversion. Rutile was identified as the single product of oxidation of the TiN samples treated at 800 °C. Peak analysis of the rutile spectra revealed no substantial spectral shifts, demonstrating an oxide growth of nearly stoichiometric rutile with an estimated composition in the range of TiO_2±0.02. The Raman scattered light intensity could be correlated with the rutile layer thickness.
Temperature and Pressure Dependence of the Viscosity of the Ionic Liquid 1-Butyl-3-methylimidazolium Tetrafluoroborate: Viscosity and Density Relationships in Ionic Liquids

The viscosity of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4) has been measured between (0 and 80) °C with a falling-body viscometer. High-pressure measurements were made at (10, 25, 50, and 75) °C to a maximum pressure of 300 MPa. The expanded uncertainty is estimated at ± 2 %. Modified Litovitz and Vogel−Fulcher−Tammann (VFT) equations are used to represent the temperature and pressure dependence. The Angell equation relating the strength parameter D, the VFT parameter T0, and the glass temperature Tg is again confirmed. Comparing D for the salts [BMIM]PF6, [HMIM]PF6, [OMIM]PF6, [BMIM]BF4, [OMIM]BF4, and [BMIM][Tf2N], we find D([BMIM]+) < D([HMIM]+) < D([OMIM]+) where the anion is common and D([Tf2N]-) < D(BF4-) < D(PF6-) where the cation is common. Densities and thermal expansivities between (0 and 90) °C at atmospheric pressure with overall uncertainty estimated at ± 0.000 05 g·cm-3 and ± 0.02·10-3 K-1 are also reported. The densities are compared with our previously publ.
Exposure of calcium fluoride resist with the scanning tunneling microscope

The scanning tunneling microscope (STM) can be used to generate very fine beams of very low energy electrons (below 100 eV). Under optimum conditions the beam diameter is proportional to beam voltage and hence, when using such a beam as an exposure tool it is desirable to employ the thinnest possible resists. The metal halides in general have several properties that make them attractive candidates for use in a scanning tunneling microscope. They are easily evaporated as thin films of thickness from 10 to 100 nm. It is important that an insulating resist film be thin so that the electrons can penetrate it and the tip does not crash into it. Thicker films require a higher accelerating voltage and this degrades resolution. The sensitivity of the metal halides is on the order of 1 C/cm2, which coincides with the dose range most readily obtainable in our instrument. Finally, the exposure voltage threshold of the metal halides is thought to be in the range of a few tens of volts. This is low enough to take adva.
Decrystallization process of HNaY zeolites upon mechanical milling : A microcalorimetric and thermokinetic study

The acidity of a series of samples with different degrees of decrystallization prepared by high-energy ball milling of HNaY zeolite was studied by adsorption microcalorimetry of ammonia. Acid sites were also monitored by infrared spectroscopy using pyridine as a probe. The evaluation of the thermokinetic parameter of heat release during ammonia adsorption is a good tool to study the destruction of the crystal upon milling. Both calorimetric and infrared results suggest that the supercage structure is destroyed first during the decrystallization process of HNaY.
On the Modification and Characterization of Chemical Surface Properties of Activated Carbon: In the Search of Carbons with Stable Basic Properties

Differences between the surface chemical properties of hydrogen- and nitrogen-treated samples of an activated carbon were quantified using several complementary techniques. Calorimetric studies conducted at 303 K revealed that the sample treated in N2 at 1223 K adsorbs a great deal of oxygen with unusually high differential heats. In fact, both the quantity and the heat of adsorption increased when the treatment temperature was raised from 773 to 1223 K. In contrast, samples treated in H2 adsorbed less and less O2 as the temperature of treatment was raised; after treatment at 1223 K, virtually no O2 adsorption occurred. At the same time the H/C ratio in the H2-treated samples decreased with increasing treatment temperature. Point of zero charge measurements revealed that only H2 treatments at high temperature (>1073 K) create basic (hydrophobic) surfaces which are stable after prolonged air exposure. These findings are consistent with the notion that the removal of oxygen in the form of CO and CO2 during .