Miracle-dz/UniFAR-FTUs huggingface dataset:
Hydration of tricalcium aluminate (C3A) in the presence and absence of gypsum—studied by Raman spectroscopy and X-ray diffraction

Raman spectroscopy has been used to follow the hydration of one of the principal components of Ordinary Portland Cement (OPC) clinkers, tricalcium aluminate, both in the absence and in the presence of calcium sulfate. Direct in-situ analysis of the hydrating paste surface was possible. Spectra were recorded regularly during the first 24 hours of hydration, and then systematically after hydration periods of up to 28 days. X-Ray diffraction was performed to confirm sample identity, firstly after 24 hours and then regularly in coordination with Raman analysis. Hydration in the absence of sulfate was rapid and led to the initial formation of C4AH19 and subsequently C3AH6. Characteristic changes were seen in the Raman spectra and the products' identities confirmed by XRD. Hydration in the presence of sulfate led to very rapid ettringite (AFt) formation, with the first evidence of ettringite formation within 3 minutes. Ettringite gradually converted to monosulfate (AFm), with the re-formation of traces of gypsum at high sulfate contents. Ettringite was formed at the expense of C4AH19. The level of C4AH19 formed diminished greatly with increasing sulfate content. Care was taken throughout the study to exclude carbon dioxide, thus minimising formation of various carbonate species, which could also be readily distinguished by Raman spectroscopy. By combining the results obtained using the well-established technique of X-ray diffraction with Raman spectroscopy, in-situ characterisation of hydrating pastes has been achieved in real-time. In addition to demonstrating the suitability of Raman spectroscopy for analysis of these systems this study should aid the understanding of tricalcium aluminate hydration and the formation of ettringite and monosulfate.
Formation of aluminum–oxygen complexes in highly aluminum-doped silicon

We show that the carrier lifetime in highly aluminum-doped silicon regions experiences a pronounced degradation during thermal treatment at temperatures above 850 °C. The defect formation is shown to be directly linked to the simultaneous presence of oxygen and aluminum and thus can be attributed to the formation of aluminum–oxygen complexes. Temperature-dependent measurements of the defect generation rate provide evidence that the formation of the Al–O complex is thermally activated with an activation energy of 0.25 ± 0.08 eV.
Band‐Offset Engineering for Enhanced Open‐Circuit Voltage in Polymer–Oxide Hybrid Solar Cells

The power conversion efficiency of organic and hybrid solar cells is commonly reduced by a low open‐circuit voltage (VOC). In these cases, the VOC is significantly less than the energy of the lowest energy absorbed photon, divided by the elementary charge q. The low photovoltage originates from characteristically large band offsets between the electron donor and acceptor species. Here a simple method is reported to systematically tune the band offset in a π‐conjugated polymer–metal oxide hybrid donor–acceptor system in order to maximize the VOC. It is demonstrated that substitution of magnesium into a zinc oxide acceptor (ZnMgO) reduces the band offset and results in a substantial increase in the VOC of poly(3‐hexylthiophene) (P3HT)–ZnMgO planar devices. The VOC is seen to increase from 500 mV at x = 0 up to values in excess of 900 mV for x = 0.35. A concomitant increase in overall device efficiency is seen as x is increased from 0 to 0.25, with a maximum power‐conversion efficiency of 0.5 % obtained at x = 0.25, beyond which the efficiency decreases because of increased series resistance in the device. This work provides a new tool for understanding the role of the donor–acceptor band offset in hybrid photovoltaics and for maximizing the photovoltage and power‐conversion efficiency in such devices.
Semiempirical Approximation to Cross Sections forLX-ray Production by Proton Impact

Abstract In this work a semiempirical approximation toLx-ray production cross sections by proton impact was obtained for scaled velocity parameters ξsgreater than 0.25. ECPSSR ionization cross sections were determined and Krause and Scofield atomic parameters were used to calculate x-ray production cross sections. Based on the definition of final vacancy distributions of Bambynek et al. (1972), an empirical correction was made. The corrected values of the x-ray production cross sections are presented in a table.
Uso de reguladores de crescimento em plantas e estacas de aceroleira (Malpighia emarginata D.C.).

A aceroleira e uma frutifera tropical de destaque pelo alto teor de vitamina C em seus frutos. Em busca de cultivares que tenham frutos com maior teor de vitamina C e melhor resistencia mecânica, tem-se impulsionado os programas de melhoramento da cultura. Desta forma, para manutencao das caracteristicas agronomicas de cada clone e indicado a propagacao vegetativa. Porem, os genotipos de aceroleira apresentam potencial de enraizamento distintos e desuniforme. Nesse contexto, objetivou-se avaliar o efeito do tratamento de planta matriz com zinco e ethephon, sobre o enraizamento de estacas de aceroleira, sob doses de AIB. Conduziu-se dois experimentos, um com a cultivar BRS 235 Apodi e outro de linhagem Elite em fase final de programa de melhoramento. Em ambos, utilizou-se o delineamento inteiramente casualizado, e tratamentos distribuidos em esquema fatorial completo 3x2x4, cujo fatores foram tratamento de planta matriz (sem tratamento, zinco, e ethephon), tipos de estaca (herbacea e semilenhosas) e doses de AIB (0; 1000; 1500; 2000 mg.L-1 ), com 4 repeticoes. Aos 90 dias apos o preparo das estacas, foram realizadas avaliacoes de variaveis de sobrevivencia e de crescimento. Para ambos os materiais vegetais, observou-se resposta significativa apos a aplicacao de ethephon nas plantas matrizes, constatando-se maior percentual de estacas vivas e de estacas enraizadas. Os melhores resultados foram obtidos quando utilizou-se estacas herbaceas, em ambos os materiais vegetais, os quais apresentaram maiores resultados de percentual de estacas vivas, brotadas, enraizadas, assim como maior massa seca de brotacoes e raizes. Nas condicoes deste estudo, recomenda-se a utilizacao de estacas herbaceas provenientes de plantas matrizes tratadas com ethephon para producao de mudas de aceroleira linhagem Elite, e ainda aplicacao de 2000 mg.L-1 de AIB para producao de mudas de aceroleira cv. BRS 235 Apodi.
Graduate Attributes, Outcomes of Volunteering and Graduate Employability: The Case of Mice Event Volunteers

Malaysia has produced thousands of university graduates since the introduction of various institutions of higher education providers. Realizing the importance of equipping graduates with specific skills required by the industry, this study aims to examine the relationship between graduate attributes, the outcome of volunteering and graduate employability among university students who have volunteer experience in Meeting, Incentive, Conference and Exhibition (MICE) events. MICE event has emerged as a key sector of the Malaysian Tourism industry, and this has given some impetus to the need for tertiary educated event managers and an evaluation of the educational curriculum. The relationships are measured based on skills possessed by graduates during their volunteering participation in MICE events. The data used in this study is obtained from 1Malaysia Youth Volunteers (iM4U), and 350 questionnaires were returned. The methodology used in the study was questionnaires that were uploaded online and distributed manually. Descriptive and multiple regression analyses were used to analyze the data. This analysis seeks to find the relationships between graduate attributes, the outcome of volunteering and graduate employability. The findings showed that graduate characteristics significantly influenced the graduate employability and there is a significant relationship between the outcome of volunteering and employability among MICE events’ volunteers. The results contributed to practical implications to MICE event industry that the volunteer programs are essential to the event success. The study is crucial as it helps to identify the level of skills developed by graduates during the volunteering experience, the enhancement of the educational experience and graduate’s performance in the job market. International Journal of Academic Research in Business and Social Sciences Vol. 8 , No. 15, Special Issue: Hospitality Management Dynamics and Consumer Engagement, 2018, E-ISSN: 2222-6990 © 2018 HRMARS 317
The Surface Tension of Cork from Contact Angle Measurements

Abstract The surface tension of cork is evaluated from contact angle measurements in cork-water-air and cork-methylene iodide-air systems, using the geometric and the harmonic mean methods. The contact angles were studied as a function of time and, in each case, the extrapolated value for t = 0 was used in the calculations to obtain γs. In spite of the chemical and physical complexity of cork, it was possible to obtain an average value for its surface tension γs = 32 ± 3 dyne cm -1 and polarity γ P S /γ S = 0.25. These values were compared to others obtained for several natural products such as wood or cellulose derivatives.
Sputtered copper oxide (CuO) thin films for gas sensor devices

Copper oxide (CuO) thin films were deposited using a reactive DC sputtering method for gas sensor applications. The structure of the films determined by means of an x-ray diffraction method indicates that the phase of copper oxide can be synthesized in the total pressure and temperature ranges of 6–8.5 mbar and 151–192 °C, respectively. The resistivity of the film synthesized at a substrate temperature of 192 °C increases from 0.104 to 0.51 Ω m after absorbing CO2 gas at 135 °C. The gas sensitivity of the film synthesized at the substrate temperature of 192 °C increases up to 5.1 in the presence of CO2 gas at 160 °C. The gas sensitivity in the presence of N2 gas reaches only 1.43 even at 200 °C.
Green chemistry. The sonochemical approach

Although the applications of ultrasound have long been known in both industry and academy, the “green” value of the non-hazardous acoustic radiation has been recognised by synthetic and environmental chemists only recently. The chemical and physical effects of ultrasound arise from the cavitational collapse which produce extreme conditions locally and thus induce the formation of chemical species not easily attained under conventional conditions, driving a particular radical reactivity. This rationale, accessible in a non-mathematical manner, anticipates the advantages of using this technology in a variety of processes that include milder reactions with improved yields and selectivities, easy generation of reactive species and catalysts or replacement of hazardous reagents. Sonication enables the rapid dispersion of solids, decomposition of organics including biological components, as well as the formation of porous materials and nanostructures. This review summarises how ultrasound can be harnessed to develop an alternative and mild chemistry, which parallels the ability of acoustic waves to induce homolytic bond cleavage.
Quantification of Hydrocarbon Contaminants in Meltwater and Sediment in a City Snow Pile

AbstractSnow collected from roadways in northern climates is not pristine and may contain sand or gravel, deicing agents, litter, and airborne pollutants. Although fate and transport of contaminants in snowmelt has been studied under laboratory conditions, it is unknown whether the same mechanisms apply to a heterogeneous snow pile. This case study sought to identify and quantify organic species in snow pile meltwater in Edmonton, Canada, and estimate the total potential hydrocarbon loading bound to sediment. Analysis of meltwater and sediment samples revealed that most hydrocarbons were present in sediments, with meltwater containing low concentrations ( C10–C16) and F3 (>C16–C34) fraction hydrocarbons. Sediments showed detectable levels of F2 and F3 hydrocarbons in ∼21% of the samples tested, with concentrations ranging from approximately 600 to 7,800 mg·kg−1, with average F3 concentrations (the main source of hydrocarbons) well below Canadian guidelines for most samples. The estimat.
Calculating Virtual log P in the Alkane/Water System (log PNalk) and Its Derived Parameters Δlog PNoct-alk and log DpHalk

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log PNalk) and the difference between log PNoct (the logarithm of the partition coefficient of the neutral species in the n-octanol/water system) and log PNalk (Δlog PNoct-alk) in the early stages of drug design has stimulated development of a computational tool based on the Volsurf software to predict virtual (=of each conformer) log PNalk and virtual log PNoct. From these two pieces of data, it is then possible to calculate Δlog PNoct-alk for a given compound as the difference between log PNoct and log PNalk. Once the pKa is known and the legitimacy of neglecting the contribution made by the ionized species has been checked, it is also possible to calculate log DpHalk, which might be an important lipophilicity descriptor in absorption, distribution, metabolism, and excretion (ADME) prediction, from log PNalk.
Modeling and performance monitoring of multivariate multimodal processes

A multimodal modeling and monitoring approach based on maximum likelihood principal component analysis and a component-wise identification of operating modes are presented. Analyzing each principal component individually allows separating components describing the variation within the individual modes from those capturing variation which the modes commonly share. On the basis of the former set, a Gaussian mixture model produces a statistical fingerprint that describes the production modes. The advantage of the component-wise analysis is a simple identification of the mixture model parameters, which does not rely on the computationally cumbersome expectation maximization. The proposed method diagnoses abnormal process conditions by defining statistics relating to the components describing (1) between-cluster variation, (2) within cluster variation, and (3) model residuals. The article demonstrates the benefits of this approach over existing work by an application to a continuous stirred tank reactor (CSTR) simulator and the analysis of recorded data from a furnace and a chemical reaction process. © 2012 American Institute of Chemical Engineers AIChE J, 59: 1557–1569, 2013
Biological cell assays on an electrokinetic microchip

A technique for single cell assay of non adherent cells is demonstrated by using microfabricated flow manifolds and video fluorescence microscopy. The kinetic cellular event of calcium flux release was determined in human lymphocytes. Transport, incubation and reactions on the microchip was accomplished using either electroosmotic or hydrodynamic pumping.
Puccinia mariae-wilsoniae and Claytonia virginica: A Pathogen's Tale

Rusts are economically important fungal plant pathogens. For the majority of rust species, complete life history data, including host range, geographic distribution, plant response to the rust, identity of alternate hosts, and mode of sexual reproduction are incomplete. The purpose of this study was to examine the life history of Puccinia mariae-wilsoniae, a rust on Claytonia virginica (spring beauty), and to observe responses in leaf anatomy to its fungal pathogen. Spring beauty is an ephemeral woodland plant that lasts three to four weeks and P. mariae-wilsoniae infects C. virginica almost as soon as the plant emerges from dormancy in Spring. Population studies in March and April, 2012, as well as March and April, 2013, examined the abundance and spread of infection within several populations. Infected leaves, inflorescences, and corms with attached roots were collected, fixed in FAA, stored in 70% ethanol, embedded in paraffin, sectioned, and mounted on slides for anatomical study. While the presence of aecia and aeciospores has been reported in other studies, this project has demonstrated the presence of telia and teliospores on C. virginica leaves and inflorescences. Population studies demonstrate that there is not a strong correlation between population density and infection rate at Laursen' s Woods and Baber' s Woods, but there is a positive correlation at Rocky Branch Nature Preserve. DNA sequencing indicated that the rust infecting C. virginica is P. mariae-wilsoniae, while anatomical studies demonstrated changes in the location of fungal reproductive structures from previous observations with C. virginica.
Post-annealing treatment for Cu-TiO2 nanotubes and their use in photocatalytic methyl orange degradation and Pb(II) heavy metal ions removal

TiO 2 nanotubes were synthesized via electrochemical anodization of Ti foil at 60 V for 1 h in a bath with electrolytes composed of ethylene glycol containing 5 wt. % of NH 4 F and 1 vol.% of H 2 O 2 . The incorporation of optimum Cu 2+ ions (1.30 at.%) into TiO 2 nanotubes were prepared by using wet impregnation method to improve their photocatalytic methyl orange degradation and Pb(II) heavy metal removal. The small Cu 2+ ions were successfully diffused into lattice of TiO 2 nanotubes by conducting post-annealing treatment at 400 °C for 4 h in argon atmosphere after wet impregnation. In this manner, optimum Cu 2+ ions played a crucial role in suppressing the recombination of charge carriers by forming inter-band states (mismatch of the band energies) within the lattice of Cu-TiO 2 . The experimental results showed that a maximum of 80% methyl orange removal and 97.3% Pb(II) heavy metal removal at pH 11 under UV irradiation for 5 h. Besides, it was noticed that photocatalytic Pb(II) heavy metal removal was strong dependence on pH of the solution because of the amphoteric character of Cu-TiO 2 in an aqueous medium.
Application of enhanced bioremediation for TCE-contaminated groundwater: a pilot-scale study

Abstract The industrial solvent trichloroethylene (TCE) is among the most ubiquitous chlorinated compounds found in groundwater contamination. The objective of this pilot-scale study was to apply the combined biosparging and enhanced in situ bioremediation technology to remediate TCE-contaminated groundwater at a TCE-spill site. A biosparging well was installed inside the TCE plume for oxygen supplement. Primary substrate (cane molasses) was injected into the TCE plume through the biosparging well to enhance the rate of TCE co-metabolism. Three monitoring wells were installed in series downgradient of the biosparging well along the groundwater flow path. Results of polymerase chain reaction and nucleotide sequence analysis revealed that no appropriate TCE-degradation enzymes were observed in site groundwater. Thus, aerobic-activated sludge containing TCE-degraders collected from an industrial wastewater treatment plant were injected into the biosparging and three monitoring wells as an inoculum to provide.
Si nanowires synthesized from silicon monoxide by laser ablation

By ablating a silicon monoxide target with a pulsed KrF excimer laser at 1200 °C in an Ar atmosphere, we have achieved production of high-purity Si nanowires in bulk quantities. The yield and linear growth rate can reach 30 mg/h and 500 μm/h, respectively. Transmission electron micrographs show that the sample of silicon nanowires consists of few nanoparticles.
Hydrodynamics and Transport Processes during Centrifugal Short‐Path Distillation

To simulate the centrifugal short-path distillation process, both two phases and interfacial transport are taken into account simultaneously for the first time. A new computational fluid dynamics model based on the volume-of-fluid and species transport methods is built up to analyze the detailed flow and transfer characteristics. A binary system with dibutyl phthalate-dibutyl sebacate (DBP-DBS) is used as an example for the investigation with both numerical and experimental methods. The residence time and the effects of operating parameters such as evaporator temperature and feed flow rate are explored comparatively. The simulation result for the liquid-film thickness shows a satisfactory agreement with literature data. On the basis of the simulation results, we may also obtain detailed characteristics of the heat and mass transfer such as gradients in temperature and concentration and the liquid overall mass transfer coefficient.
Homoleptic carbene-silver(I) and carbene-copper(I) complexes

The syntheses and characterizations of homoleptic bis(carbene) adducts of Ag(1) and Cu(1) are described. These carbene adducts are available directly from the reaction of the stable nucleophilic carbene 1,3-dimesitylimidazol-2-ylidene and the corresponding metal triflate. NMR data are consistent with the bis(carbene)metal structures and suggest a level of delocalization in the imidazole ring that is intermediate between those of the free carbene and imidazolium ions. The X-ray crystal structure of the silver-carbene adduct is reported: [ C*2H&&g]CF3SO3, monoclinic, space group P21/c (No. 14), a = 1167.5(1) pm, b = 1472.9(2) pm, c = 2479.8(2) pm, /3 = 95.31(1)'; T = -70 OC, 2 = 4. The silver is essentially linearly coordinated with the imidazole rings twisted 39.7' relative to one another. The solid-state structure of the silvercarbene adduct is compared with those of related gold-carbene adducts.
Trace Analysis and Speciation for Methylated Organotins by HPLC-Hydride Generation-Direct Current Plasma Emission Spectroscopy (HPLC-HY-DCP)

Total tin determinations can be accomplished at trace levels (10–25 ppb) by a continuous on-line hydride generation (HY), followed by direct current plasma (DCP) emission spectroscopy (HY-DCP). This approach is applicable for organotin compounds such as mono-, di-, and trimethyltin chloride, as well as stannous and stannic cations. HY-DCP methods of total tin analysis have been applied to a number of spiked and actual samples. Detection limits, calibration plots, sensitivities, and related analytical parameters have been evaluated. Organotin analysis and speciation can be accomplished by the interfacing of this HY-DCP step with high-performance liquid chromatography (HPLC), with the use of a polymeric PRP-1 type column with an acidic, ionic mobile phase, usually containing a suitable ion-pairing reagent. The overall speciation approach, HPLC-HY-DCP, has been evaluated with regard to separation conditions; detection limits; sensitivities; calibration plots; and applications to spiked water, clam juice, seawater, and tuna fish samples. The results suggest the suitability and reliability of this HPLC-HY-DCP approach for individual tin species. Other metal species capable of forming a hydride derivative on-line, in a continuous fashion, may also be suitable for speciation by HPLC-HY-DCP.