Miracle-dz/UniFAR-FTUs huggingface dataset:
CaCl2-Accelerated Hydration of Tricalcium Silicate: A STXM Study Combined with 29Si MAS NMR

The effect of calcium chloride (CaCl2) on tricalcium silicate (C3S) hydration was investigated by scanning transmission X-ray microscopy (STXM) with Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra and 29Si MAS NMR. STXM is demonstrated to be a powerful tool for studying the chemical composition of a cement-based hydration system. The Ca L3,2-edge NEXAFS spectra obtained by examining C3S hydration in the presence of CaCl2 showed that this accelerator does not change the coordination of calcium in the calcium silicate hydrate (C-S-H), which is the primary hydration product. O K-edge NEXAFS is also very useful in distinguishing the chemical components in hydrated C3S. Based on the Ca L3,2-edge spectra and chemical component mapping, we concluded that CaCl2 prefers to coexist with unhydrated C3S instead of C-S-H. In Si K-edge NEXAFS analysis, CaCl2 increases the degree of silicate polymerization of C-S-H in agreement with the 29Si CP/MAS NMR results, which show that the presence of CaCl2 in hydrated C3S considerably accelerates the formation of middle groups () and branch sites () in the silicate chains of C-S-H gel at 1-day hydration.
Thermally reduced graphene: synthesis, characterization and dye removal applications

Since its recent discovery, graphene has emerged as a promising material for a variety of applications. In this article, thermally reduced graphene (TRG) was produced by thermal exfoliation of graphite oxide; characterized using XRD, SEM, TEM, FTIR, XPS, BET, and elemental analysis; and used as an adsorbent to remove methyl orange (MO) dye from aqueous solution. Langmuir and Freundlich isotherm models are used to examine the nature of the adsorption process and the results indicate that MO adsorption on TRG can be described as monolayer type (Langmuir) adsorption. Moreover, the adsorption process is physical, spontaneous, and follows a second order kinetics as revealed by the analysis of the thermodynamic and kinetic data. Furthermore, the sorption capacity and the removal percentage strongly depend on the adsorbent-to-dye ratio, the solution pH and temperature. The current study indicates that graphene could be a very efficient adsorbent for removal of MO dye from colored-waters with a maximum sorption capacity of 100 mg of dye per g of TRG and a removal percentage of 98%. In addition, more than 80% of the adsorbed dye can be recovered and TRG can be regenerated and reused with no significant change in its sorption capacity.
Properties of thermal air plasma with admixing of copper and carbon

This paper deals with investigations of air plasma with admixing of copper and carbon. Model plasma source unit with real breaking arc was used for the simulation of real discharges, which can be occurred during sliding of Cu-C composite electrodes on copper wire at electromotive vehicles. The complex technique of plasma property studies is developed. From one hand, the radial profiles of temperature and electron density in plasma of electric arc discharge in air between Cu-C composite and copper electrodes in air flow were measured by optical spectroscopy techniques. From another hand, the radial profiles of electric conductivity of plasma mixture were calculated by solution of energy balance equation. It was assumed that the thermal conductivity of air plasma is not depending on copper or carbon vapor admixtures. The electron density is obtained from electric conductivity profiles by calculation in assumption of local thermodynamic equilibrium in plasma. Computed in such way radial profiles of electron density in plasma of electric arc discharge in air between copper electrodes were compared with experimentally measured profiles. It is concluded that developed techniques of plasma diagnostics can be reasonably used in investigations of thermal plasma with copper and carbon vapors.
Tandem Mass Spectrometric Analysis of the Novel Gemini Surfactant Nanoparticle Families G12-s and G18:1-s

ABSTRACT Gemini surfactant nanoparticles have been successfully used as nonviral gene delivery systems. Using electrospray ionization (ESI) quadrupole time-of-flight (Qq-ToF) hybrid tandem mass spectrometry (MS/MS), the authors elucidated the molecular structure of 10 novel diquaternary ammonium gemini surfactants, including the establishment of their MS/MS fingerprints. The gemini surfactants tested belong to two different structural families: G12-s and G18:1-s, where “s” corresponds to the spacer length. Similarities and differences in the fragmentation patterns within each gemini surfactant family and between them were also identified. In addition, single-stage MS analysis showed that mass accuracy was less than 5 ppm for all compounds.
SPEAK, A PROCEDURE FOR NOISE REDUCTION IN MULTICHANNEL CHROMATOGRAPHIC DATA

A new procedure to reduce the background noise of multichannel chromatographic data, named SPEAK, has been developed. It is based on the assumption of gaussian elution profiles, but it can also deal with non-gaussian peaks. The method has been tested with simulated data matrices, containing high noise levels, and real data matrices obtained by a fast-scanning fluorescence detector coupled to a HPLC system. Results indicate that SPEAK is able to lower the background noise by a factor of about 4 - 5, without any significant losses of the relevant information.
Seasonal variation of the concentrations of 137Cs in sediment, sea water, and some organisms collected from Izmir Bay and Didim

137Cs in the marine environment mainly originates from fallout of atmospheric nuclear weapon tests, accidental releases from nuclear facilities, and from the Chernobyl accident. After the latter accident, many studies have been carried out in Turkey. The objective of this study is to assess the spatial distribution of 137Cs in the coastal marine environment of the Aegean Sea. The concentrations of 137Cs in sediment, sea water, mussel (Mytilus galloprovincialis), and fish samples collected from the coast of the Aegean Sea at Izmir Bay and near Didim (Akbük) have been monitored for seasonal variability by the means of gamma spectroscopy: they vary between 0.10 ± 0.01 and 1.5 ± 0.3 Bq kg−1, 1.3 ± 0.1 and 4.3 ± 0.4 Bq m−3, <0.2 and 1.3 ± 0.3 Bq kg−1, and 0.20 ± 0.03 and 1.8 ± 0.3 Bq kg−1, respectively.
DETECTION OF OLIVE OIL ADULTERATION WITH RAPESEED AND SUNFLOWER OILS USING MOS ELECTRONIC NOSE AND SMPE‐MS

The study analyzed the effectiveness of two types of electronic nose systems to detect adulteration of extra virgin olive oil (EVOO) with rapeseed and sunflower oils. Tested methods included volatile analysis with the electronic nose based on MOS sensors (HS-E nose) and by direct coupling of SPME to MS (SPME-MS). Volatile compounds were analyzed also by SPME-GC/MS. Samples of EVOO were mixed with different proportions, ranging from 5 to 50% (v/v), of seed oils and fingerprints of volatile profiles of all samples were generated. In order to obtain as much chemical information as possible and to find a volatile marker to detect adulterations of EVOO with seed oils, principal component analysis (PCA) and partial least squares (PLS) analyses were applied to the data. The application of PCA and PLS analyses to the data from two electronic noses and SMPE-GC/MS were sufficient to differentiate the adulterated samples from pure EVOO. Excellent results were obtained in the prediction of the percentage of adulteration by PLS analysis. SPME-GC-MS analysis with subsequent PCA yielded good results; however, it was time-consuming. The two electronic noses, with subsequent PCA treatment of data, offering the advantages of rapidity and reliability, enabled detection of olive oil adulteration with different contents of seed oils. PRACTICAL APPLICATIONS Virgin olive oil is highly appreciated by consumers due to its nutritional benefits. Thus, its adulteration with low-grade olive oils or cheaper vegetable oils could potentially be very profitable for sellers or raw material suppliers and may yield large economic profits. In this way, authentication of virgin olive oils has become an interesting subject from both commercial and health perspectives. It has been proved that the two proposed types of electronic nose systems facilitate reliable detection of rapeseed and sunflower oils in extra virgin olive oil. Both MOS and MS electronic noses are faster than the conventional SMPE-GC/MS analysis. These well-correlated methodologies, offering the advantages of rapidity and reliability, opened up a new way of detecting adulteration of virgin olive oils.
Processing and properties of Al2O3/SiC nanocomposites

Alumina/SiC nanocomposites were produced by mechanical mixture of commercial powders. The preparation steps involved the vigorous mixing of the powders and drying under conditions where the homogeneous mixture was kept stable. Pressureless sintering of die‐pressed powders achieved reasonable densities (∼97% theoretical density) for 2·5wt% of SiC on sintering at 2073 K. Higher SiC contents strongly reduced the sintered density. The use of a more reactive alumina (finer matrix powder) gave similar results. Hot pressing at 1973 K/1 h/25 MPa produced high‐density materials for SiC contents as high as 20 wt%. Transmission and scanning electron microscopy analysis showed that the SiC particles were well distributed and were situated both inside the grains and on the grain boundaries of the alumina matrix. The SiC strongly inhibited grain growth in the matrix in keeping with the Zener model. The bend strength increased as the SiC content increased, a result partly explained by the grain size refinement. The strength improvement of 20% over monolithic was explained in terms of the change to an intergranular fracture mode.
Electrical instabilities in organic semiconductors caused by trapped supercooled water

It is reported that the electrical instability known as bias stress is caused by the presence of trapped water in the organic layer. Experimental evidence as provided by the observation of an anomaly occurring systematically at around 200K. This anomaly is observed in a variety of materials, independent of the deposition techniques and remarkably coincides with a known phase transition of supercooled water. Confined water does not crystallize at 273K but forms a metastable liquid. This metastable water behaves electrically as a charge trap, which causes the instability. Below 200K the water finally solidifies and the electrical traps disappear.
Comparison of Chemical Constituents of Essential Oil and Antioxidant Activity of Salvia macrosiphon Boiss. (Wild and Cultivated Type) by FRAP and DPPH Assay

The essential oils from aerial parts of Salvia macrosiphon Boiss. growing wild in Iran were obtained by hydrodistillation and analyzed by GC and GC/MS. Thirty-eight components were identified in cultivated plants and 32 components in wild plants. The major compounds of cultivated S. macrosiphon were linalool (26.9%), sclareol (15.4%) and hexyl isovalerate (12.8%), also the main compounds of wild type were linalool (40.7%), hexyl isovalerate (11.9%) and hexyl isobutanoate (6.4%). Methanolic extracts of salvia macrosiphon were investigated for their antioxidant activity by DPPH and FRAP assay. IC50 for antioxidant activity for S.macrosiphon1 cultivated 1426.52 and wild 2743.05 µg/ml (by DPPH) and inhibition percent cultivated 69 and wild 22.84 µg/ml (by FRAP) and total phenolic content cultivated 44.92 and wild 21.74 mg gallic acid equivalent/g of extracts.
Covalently bonded functionalized multi-walled carbon nanotubes and cellulose for electroactive paper actuator

A cellulose solution was prepared by dissolving cotton pulp in LiCl/DMAc solution. Functionalized multi-walled carbon nanotubes (MWNTs) were reacted with N, N-Carbonyldiimidazoles to obtain MWNTs-imidazolides. By acylation of cellulose with MWNTs-imidazolides, MWNTs were covalently bonded with cellulose. Using the product, MWNTs- Cellulose (M/C) composite were fabricated and its characteristics were investigated by FT-IR and Raman spectroscopy, scanning electron microscopy and Young's modulus. The presence of covalent bonds remarkably enhanced mechanical property of M/C composite, which improved its actuator performance. The actuator performance of M/C EAPap is investigated in terms of bending displacement and resonance frequency depending on humidity level.
A high capacity silicon–graphite composite as anode for lithium-ion batteries using low content amorphous silicon and compatible binders

In this study, silicon–graphite composites were prepared and investigated as anode materials for Li-ion batteries with small amounts of silicon and different binders. The silicon powders were prepared by ball-milling crystalline silicon for 100 h and 200 h. After 200 h, an average silicon particle size of 0.73 μm was obtained and XRD measurements confirmed the formation of an amorphous powder embedded within nanocrystalline regions. XPS analysis of the silicon samples showed that silicon particles were covered with a native silicon oxide layer that grows during ball-milling. Battery cycling of the silicon powders in half cells showed that the powder ball milled for 200 h gave the lowest first-cycle irreversible capacity and the highest reversible capacity reaching over 500 mA h g−1 after 50 cycles at C/12. Composites were made using graphite and only 5 wt% silicon powders. The silicon was found to be uniformly dispersed into the composites as evidenced by X-ray mapping and SEM. When tested in half cells using different binders, it was found that the polyetherimide binder showed the highest capacity reaching 514 mA h g−1 after 350 cycles at C/12, which is 1.6 times greater than commercial graphite anode. High rate cycling showed good capacity retention reaching half the capacity at 5 C.
Handling Children in Conflict with the Law: From the Journals of Field Instruction Students

This is a qualitative study which aims to know the experiences of Field Instruction students are and their interventions extended to the Children in Conflict with the Law while they were assigned as interns in San Pedro Police Station. The study utilized a well-defined content analysis procedure “text analysis” which looks into the common experiences and interventions of these students in one semester of Field Instruction subject. A focus group discussion with Children in Conflict with the law was also conducted to know the “take on” of the clients on the interventions extended. The study will also share the insights of the Field Instruction Students in the public in general and to the academe in particular. The result of the study showed that the common experiences of the Social Work Interns includes extensive use of their observation skills, exposure to the different behaviors of the CICL and learning how to practice social work principles like acceptance, individualization and confidentiality. Furthermore, these experiences help them develop skills in dealing with families and communities and other sectors involved with Community Based Programs for Children in Conflict with the Law.
Healing of surgically created circumferential gap around Nano‐coating surface dental implants in dogs

The development and expanded use of dental implants has been remarkably increased. The implant stability and osseointegration are important factors in the success of treatment. Commercially pure titanium and its alloys are the most commonly used materials for endosseous dental implants. Hydroxyapatite (HA), one of the calcium phosphate, has been studied for biomedical applications since it has similarity in chemistry with inorganic components of human bone and its biocompatibility. But the use of HA coated dental implants remain still controversial, because some reports suggest that the HA coating may separate from the substructure, undergo dissolution in tissue fluids, and contribute to rapid breakdown around the implants. HA coating can be applied on metal implants by numerous methods. Of several coating methods, ion beam‐assisted deposition (IBAD) has shown to promise. This study was to compare the healing response of various nano‐coating surface implants (by IBAD) placed in surgically created circumferential gaps 12 weeks postplacement.
On the Bindings in VOm Phases

The phenomenological plural correlations model permits to attribute to the intermediate phases of the mixture VOM bonding types (bindings) which indicate a low energy of the empirically found structures. In the phases various electron subsystems exist which contain lattice-like spatial correlations, and when the corresponding cells are in energetically low commensurabilities (in harmonies) to the crystal and to one another then the phase becomes stable. A fundamental assumption of a binding analysis is the electron count being here V1,4,8O0,6,2. As a consequence the phases V8O, V16O3, and V7O4 consist of a tetra-gonally deformed V(B1) partial structure with interstices partly filled by O atoms. The composition of a phase determines the electron concentrations in the subsystems, and these influence the harmony of the correlations in the binding (BFU2 for V16O3, e.g.). In VO, V13O16, V2O3, and V3O5 an essentially complete close packed partial structure of O accepts V into its octahedral interstices. Once more harmonies of electron correlations determine favourable bindings (FF'2 for VO e.g.). The Magneli phases V4O7 up to V8O15 being shear homeotypes of VO2 · h may be considered as homeodesmic to TiO2 · r, which is stabilized by a CFU2 binding. From the binding it may be concluded how much Hund insertion is present in a phase. Hund insertion is for instance responsible for the transformation VO2 · h r. The phases V6O13, V4O9 and V3O7 are homeotypic to V2O5. This last phase permits presumably a UHT3 binding. The results of the binding analysis of VOM shed some new light on the interpretation of properties of the VOM phases.
Acid volatile sulfide predicts the acute toxicity of cadmium and nickel in sediments

Laboratory toxicity tests using amphipods, oligochaetes, and snails with spiked freshwater and marine sediments and with contaminated sediments collected from an EPA Superfund site demonstrate that no significant mortality occurs relative to controls if the molar concentration of acid volatile sulfide (AVS) in the sediment is greater than the molar concentration of simultaneously extracted cadmium and/or nickel. Although it is well-known that these metals can form insoluble sulfides, it apparently has not been realized that AVS is a reactive pool of solid-phase sulfide that is available to bind metals and render that portion unavailable and nontoxic to biota. Thus, the AVS concentration of a sediment establishes the boundary below which these metals cease to exhibit an acute toxicity in freshwater and marine sediments.
Synthesis of a Graphite Oxide Polyaniline Nano-Composite by an Electrochemical Method

In order to produce a polyaniline graphite oxide nano-composite, electro-polymerization of aniline was performed within the graphite oxide layers via electrochemical treatment of aniline-intercalated graphite oxide in the supporting electrolyte. It was found that graphite oxide has special electro-active properties. Therefore, electrochemical polymerization of aniline was performed on a Pt substrate in the presence of graphite oxide that had been dispersed in the electrolyte solution by the cyclic voltammetric method. Formation of polyaniline within the layers of graphite oxide occurred during electro-polymerization. This mechanism affects the polyaniline morphology and leads to the formation of well-defined concrete microstructures differing from the pure graphite oxide. Moreover, the results of the thermogravimetric analysis showed that graphite oxide and the polyaniline graphite oxide nano-composite electrodeposited on the Pt substrate have different weight loss behaviors. This confirms that intercalation of the polyaniline improved the oxidation stability of graphite oxide, along with the fact that the polyaniline graphite oxide nano-composite was successfully synthesized by an electrochemical method.
Molecular Dynamics Study of Hydrogen in α-Zirconium

Molecular dynamics approach is used to simulate hydrogen (H) diffusion in zirconium. Zirconium alloys are used in fuel channels of many nuclear reactors. Previously developed embedded atom method (EAM) and modified embedded atom method (MEAM) are tested and a good agreement with experimental data for lattice parameters, cohesive energy, and mechanical properties is obtained. Both EAM and MEAM are used to calculate hydrogen diffusion in zirconium. At higher temperatures and in the presence of hydrogen, MEAM calculation predicts an unstable zirconium structure and low diffusion coefficients. Mean square displacement (MSD) of hydrogen in bulk zirconium is calculated at a temperature range of 500–1200 K with diffusion coefficient at 500 K equals 1.92 10−7 cm2/sec and at 1200 K has a value 1.47 10−4 cm2/sec. Activation energy of hydrogen diffusion calculated using Arrhenius plot was found to be 11.3 kcal/mol which is in agreement with published experimental results. Hydrogen diffusion is the highest along basal planes of hexagonal close packed zirconium.
Excited state dynamics of NO3

The fluorescence decay of NO3 excited to vibronic levels between the origin at 661.9 and ∼606 nm is measured and found to be nonexponential. An exponential fit to the long‐lived portion of the decay gives an apparent, collision‐free lifetime of 340±20 μs. Electronic quenching rates have been measured for a variety of collision partners including He, N2, O2, C3H8, and HNO3. Our results are interpreted in terms of the Douglas effect, i.e., an extensive coupling of excited electronic levels with nonemissive vibronic levels of the ground electronic state. This coupling is likely responsible for the anomalously long lifetime and the apparent diffuseness of the absorption spectrum.
Variations in nitrogen mineralization from different manures in semi-arid tropics of Sudan with reference to salt-affected soils

Twelve weeks laboratory incubation experiment was carried out to: (1) determine variations in N mineralization of various manures (chicken manure, farm yard, pigeon, guano & sewage sludge) and to (2) examine the relationship between N mineralization and initial chemical composition. Manures were aerobically incubated in two types of soils (saline & nonsaline) at a rate of 200 mg N kg -1 soil and mineral N was monitored after 0, 2, 4, 6, 8, 10 and 12 weeks. With the exception of sewage sludge and pigeon manure, NO3-N was the dominant form of mineral N. Net N released from the manure in the saline and non-saline soils was negatively correlated with initial N content, C/N ratio and lignin (r 2 = -0.837/-0.385, -0.719/-0.095, 0.448/-0.903), respectively. Cellulose and hemicellulose in saline soils were positively correlated with net N released (r 2 =0.558 & 0.613), however in non-saline soils net N released was positively correlated with cellulose (r 2 = 0.899) and negatively with hemicellulose (r 2 = -0.118). It could be concluded that monitoring mineral N release during decomposition of manures is a useful tool for fertilization programs that include incorporation of organic sources of N.