Miracle-dz/UniFAR-FTUs huggingface dataset:
Effects of high soil lead concentration on photosynthetic gas exchange and chlorophyll fluorescence in Brassica chinensis L.

This study determined the effects of high soil lead concentration on photosynthetic gas exchange and chlorophyll fluorescence in Brassica chinensis L. Results showed the net photosynthetic rate, the maximum PSII quantum yield, photochemical quenching, and quantum yield of PSII photochemistry continuously increased until lead concentration reached 600 mg/kg. These parameters slightly decreased when lead concentration reached 900 mg/kg and significantly decreased when reached or exceeded 1200 mg/kg. As lead concentration increased, stomatal conductance and transpiration rate decreased; minimum fluorescence increased to different degrees; intercellular CO2 concentration initially decreased, increased, and then sharply decreased; and nonphotochemical quenching initially decreased and then increased. Therefore, soil treatment with 900 mg/kg lead can only slightly affect B. chinensis, whereas those with ≥ 1200 mg/kg can significantly affect this crop.
Molecular Dynamics Simulation Study of Ethylene Glycol, Ethylenediamine, and 2-Aminoethanol. 2. Structure in Aqueous Solutions

In this article, we report a molecular dynamics (MD) simulation study of the local structure in aqueous solutions of ethylene glycol (EG), ethylenediamine (ED), and 2-aminoethanol (AE), where the results are presented and discussed in a comparative manner. Four compositions (organic solute mole fractions of X = 0.03, 0.1, 0.3, and 0.8) were investigated for each compound. The OPLS-based potential models, as described in our companion paper [A. V. Gubskaya, P. G. Kusalik, J. Phys. Chem., 2004, 108, XXXX] are used to represent the ethane derivatives and the SPC/E model is used for water. Thermodynamic, dynamic, and molecular structural characteristics are calculated and compared whenever possible with previous theoretical and experimental findings. The local structure in the solutions of interest is examined by means of radial and spatial distribution functions (RDFs and SDFs, respectively). The revealed three-dimensional picture of hydration confirms the presence of hydrogen-bonding arrangements that are c.
Parametric Study on the CO2 Capture Capacity of CaO-Based Sorbents in Looping Cycles

An experimental parametric study on the CO2 capture activity of four limestone-derived CaO-based sorbents has been performed. Experiments were done in a thermogravimetric analyzer (TGA) at temperatures ranging from 650 to 850 °C. Three particle-size fractions of Kelly Rock limestone and powders obtained by their grinding were also tested, while the influence of carbonation and calcination durations was examined at 750 and 850 °C. Calcination is typically performed in an atmosphere of N2 and carbonation in 50% CO2 (N2 balance), and the influence of the effective CO2 concentration surrounding reacting particles was examined by changing the sample mass in some experiments. The results indicated that increasing the calcination/carbonation temperature had a negative influence on the sorbent activity, while the influence of particle size was small, although larger particles have higher activity. This was unexpected, but it can be explained by the higher content of impurities in the smaller particles. Grinding e.
Tailoring the Hydrophobic Character of Mesoporous Silica by Silylation for VOC Removal

MCM-41 and non-ordered mesoporous silica were modified using hexamethyl-disilazane (HMDS). The hydrophobic and hydrophilic properties of grafted materials were studied and compared to a purely all silica BEA zeolite by using competitive and noncompetitive water toluene adsorption. A linear correlation between the silylation degree and the hydrophobicity measurements has been found for MCM-41 materials. Even if highly silylated MCM-41 material have more hydrophilic sites (silanol groups) than all silica zeolite, water molecule condensation is not observed because these sites are isolated. Thus, the highly silylated MCM-41 sample exhibits not only hydrophobicity 2.3 times higher than all silica BEA zeolite but also possesses a storage capacity for toluene and chlorobenzene 3 times higher than this zeolite. In competition with water, the organic molecule (toluene or chlorobenzene) adsorption is always favored even if water adsorption is enhanced by chlorobenzene polarity.
High pressure extraction of phenolic compounds from citrus peels††

This study evaluated the effect of high pressure processing on the recovery of high added value compounds from citrus peels. Overall, the total phenolic content in orange peel was significantly (P < .05) higher than that in lemon peel, except when pressure treated at 500 MPa. However, lemon peel demonstrated more antioxidant activity than orange peel. Pressure-treated samples (300 MPa, 10 min; 500 MPa, 3 min) demonstrated higher phenolic content and antioxidant activity comparatively to the control samples. For more severe treatments (500 MPa, 10 min), the phenolic content and antioxidant activity decreased in both lemon and orange peels.
Experimental Evaluation of Indirect Heating Tubular Reactors for Solar Methane Pyrolysis

Solar thermal pyrolysis of natural gas is studied for the co-production of hydrogen, a promising energy carrier, and Carbon Black, a high-value nano-material, with the bonus of zero CO2 emissions. A 10 kW multi-tubular solar reactor (SR10) based on the indirect heating concept was designed, constructed and tested. It is composed of an insulated cubic cavity receiver (20 cm side) that absorbs concentrated solar irradiation through a quartz window by a 9 cm-diameter aperture. The solar concentrating system is the 1 MW solar furnace of CNRS-PROMES laboratory. An argon-methane mixture flows inside four graphite tubular reaction zones each composed of two concentric tubes that are settled vertically inside the cavity. Experimental runs mainly showed the key influence of the residence time and temperature on the reaction extent. Since SR10 design presented a weak recovery of carbon black in the filter, a single tube configuration was tested with an external plasma heating source. Complete methane conversion and hydrogen yield beyond 80% were achieved at 2073K. Hydrogen and carbon mass balances showed that C2H2 intermediates affect drastically the carbon black production yield: about half of the initial carbon content in the CH4 was found as C2H2 in the outlet gas. Nevertheless, the carbon black recovery in the filtering device was improved with this new configuration. Data are extrapolated to predict the possible hydrogen and carbon production for a future 50 kW solar reactor. The expected production was estimated to be about 2.47 Nm3/h H2 and 386 g/h carbon black for 1.47 Nm3/h of CH4 injected.
Bog Iron Ores and their Potential Role in Arsenic Dynamics: An Overview and a “Paleo Example”

Bog iron ores (BIOs), i.e. terrestrial accumulations of iron (Fe) minerals forming within the zone of groundwater oscillation, have been described in several regions in Germany and other countries. Since BIOs are composed of a variety of Fe minerals, primarily amorphous Fe hydroxides, they are likely to have an influence on the arsenic (As) dynamics of an area, as these minerals represent important natural As sources and sinks. In this study, mineralogical research results (XRD, microscopy) of altered BIOs of Tertiary age (“paleo” BIOs or PBIOs), occurring within Cretaceous sands in an area of North Rhine‐Westphalia, are briefly presented. Genesis and mineralogical evolution of the categorized five different types of PBIOs, along with hydrogeochemical data from the literature, are discussed and compared to studies describing Holocene BIOs from other areas. In doing so, striking similarities (depositional environment, substratum, Fe source and its transport, geochemical evolution, and mineralogy) became evident. Differences in mineralogical and chemical composition can be attributed to the longer period of oxidation that the PBIOs have undergone (Fe hydroxide “aging”). This process is still ongoing (most of the groundwaters in the area plot in the goethite stability field) and leads to a higher stability of the Fe phases and thus, a stronger As retention. The known impact of the PBIOs on the As budget of the study area (they represent the source for elevated As concentrations in soils) can be transferred to more recent environments fostering BIO formation. These are likely to be even more important As sinks – and sources – as they contain higher Fe concentrations, higher shares of potentially mobile As and highly variable redox conditions which might lead to an As output from the BIOs into groundwater, soils and plants. Therefore, BIOs and their potential role in As behaviour are not only of scientific, but also of public interest.
Pressure dependence of structural phase transition and superconducting transition in CsI

The self‐consistent band structure calculation for CsI performed both in CsCl and HCP structures using the TB‐LMTO method is reported. The equilibrium lattice constant, bulk modulus and the phase‐transition pressure at which the compound undergoes structural phase transition from CsCl to HCP are predicted from the total‐energy calculations. The band structure, density of states (DOS), electronic charge distributions, metallization and superconducting transition temperature (Tc) of CsI are obtained as a function of pressure for both the CsCl and HCP structures. It is found that the charge transfer from s and p states to d state causes metallization and superconductivity in CsI. The highest Tc estimated is 2.11 K and the corresponding pressure is 1.8 Mbar. This value is in agreement with the recent experimental observation. The experimental trend – “metallization and superconductivity is rather insensitive to the crystal structure of CsI” – is also confirmed in our work.
DELIBERATIVE DEMOCRACY, STAKEHOLDERS

The increasing use of deliberative Mini-Publics in recent years has been controversially discussed by academics and practitioners with regard to questions of design and legitimacy. Less attention has however been paid to opinions of those actors who are directly impacted by Mini-Publics and who might have equally controversial positions. Although most Mini-Publics are only consultative, their perceived impact grows, and so does the number of concerned actors. While some scholars have examined the opinions of single types of actors on different forms of participation, this paper investigates systematically what positions associative, economic and political actors develop in parallel on a Mini-Public. The research is based on an in-depth case study of the Citizen Climate Parliament in the Province of Luxemburg, a Mini-Public with 33 citizens that was launched in 2015 by a Belgian province to work on its energetic neutrality. Following a mixed-method design, a diversified panel of 28 actors was selected for semi-structured interviews based on surveys conducted before and after the project. Through discourse analysis, four positions among the three types of actors were identified: an “elitist”, an “expert”, a “(re)connection” and a “reinvention” position. These are mutually non-exclusive and illustrate that Mini-Publics can make use of this complementarity to enhance their own legitimacy by integrating stakeholders and elites in some way into their works. Possibilities exist before a Mini-Public, i.e. when preparing its work, during a Mini-Public, i.e. when debating sensitive issues, or even after a Mini-Public, i.e. when implementing the results.
Cellulose Acetate Butyrate Nanocomposites with Antimicrobial Properties for Food Packaging

The cellulose acetate butyrate/modified motmorillonite (Cloisite20A and Cloisite30B) nanocomposites were prepared by two different solvent casting methods. All antimicrobial nanofillers were characterized using X‐Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR) and antimicrobial components (carvacrol and cinnamaldehyde) included in the nanofillers were determined by gas and HPLC chromatography. These analyses confirmed the inclusion of antimicrobial agents in organoclay. The nanocomposite films were characterized by XRD, TGA, Differential Scanning Calorimetry (DSC), Oxygen and Water Vapor Permeability, mechanical properties and antimicrobial behavior against E coli, L.innocua, S. cerevisiae. All films presented a reduction of at least 2.0 log cfu/mL when applied film nanocomposites procedure in which antimicrobial components are included in the last stage of the process and they are not previously included in the organoclay. Copyright © 2012 John Wiley & Sons, Ltd.
PREPARATION OF HOMOGENEOUS CU(INGA)SE2 FILMS BY SELENIZATION OF METAL PRECURSORS IN H2SE ATMOSPHERE

Homogeneous single phase Cu(InGa)Se2 films with Ga/(In+Ga)=0.25–0.75 were formed by reacting Cu–Ga–In precursor films in H2Se followed by an anneal in Ar. X‐ray diffraction and Auger analysis show that the metal precursors reacted only in H2Se were multiphase films having a layered CuInSe2/CuGaSe2 structure. Solar cells made with the multiphase films have properties similar to CuInSe2 devices. Cells made with the annealed single phase films behave like Cu(InGa)Se2 devices with the band gap expected for the precursor composition.
Electron transport parameters in argon and its momentum transfer cross section

The drift velocity and longitudinal diffusion coefficient of electrons in argon were measured over the range of E/N from 0.25 to 50 Td at room temperature by a double-shutter drift tube with variable drift distance. A momentum transfer cross section for the argon atom which was consistent with both of the present electron swarm parameters was derived over the range of electron energy from 2.5 to 15 eV.
In vivo deposition of inhaled ultrafine particles in the respiratory tract of rhesus monkeys

ABSTRACT Radon progeny are usually associated with ultrafine particles with diameters ranging from 0.001–0.005 μm for “unattached” progeny and from 0.005–0.2 μm for those attached to indoor aerosols. To assess the health effects of inhaling indoor radon progeny, it is necessary to study the regional deposition of these ultrafine particles when inhaled. Laboratory animals are often used in studies of the toxicity of inhaled particles and vapors. Information is available on the deposition of particles with diameters > 0.2 μm in the nasal passages of laboratory animals. However, there are very few data on the deposition of ultrafine particles < 0.2 μm in diameter, and most of the information has come from studies in nasal casts. In this article we describe in vivo deposition of inhaled ultrafine particles in the airways of rhesus monkeys. Two types of aerosols were used: 220Rn progeny and monodisperse 59Fe2O3 particles, in particle diameters ranging from 0.005–0.1 μm. Eight monkeys were exposed for 5–8 min a.
Temperature dependence of the radiative recombination coefficient in crystalline silicon from spectral photoluminescence

The radiative recombination coefficient B(T) in crystalline silicon is determined for the temperature range 90–363 K, and in particular from 270 to 350 K with an interval of 10 K, where only sparse data are available at present. The band-band absorption coefficient established recently by Nguyen et al. [J. Appl. Phys. 115, 043710 (2014)] via photoluminescence spectrum measurements is employed to compute the values of B(T) at various temperatures. The results agree very well with literature data from Trupke et al. [J. Appl. Phys. 94, 4930 (2003). ] We present a polynomial parameterization describing the temperature dependence of the product of B(T) and the square of the intrinsic carrier density. We also find that B(T) saturates at a near constant value at room temperature and above for silicon samples with relatively low free carrier densities.
Estimation of Residential Electricity Demand in Korea Allowing for a Structural Break

This study examines the time series characteristics of residential electricity demand and its determinants in Korea and the short-run and long-run relationship among them. We employ unit root tests, cointegration, and error-correction models on annual time series for the period 1972--2019. The rapid development of Korea over this period provides clear evidence of the possibility of structural breaks. We find that residential electricity demand and its determinants are trend-stationary processes with a slope change, which implies that there is no need to invoke cointegration methods under the unit root assumption. We expect that the essential modeling strategy presented in this article will be widely applicable.
Accumulation of Hormonally Active Substances by Wild White Sucker (Catostomus commersoni) Exposed to Effluents Discharged to the Wabigoon River

A study was initiated in the spring of 2001 to determine if hormonally active chemicals are bioavailable to white sucker (Catostomus commersoni) residing in the Wabigoon River, downstream of the bleached kraft pulp mill and municipal sewage outfall located in Dryden, Ontario. Females collected during spawning migrations in May 2001 at a near-field exposure site exhibited increased condition factor, liver size and fecundity relative to those collected from a reference site. Liver samples within each site were pooled, soxhlet extracted and fractionated by gel permeation chromatography and HPLC according to octanol/water partition coefficient (Kow). Fractions were then tested to determine if fish accumulated ligands which bind to the goldfish testicular androgen receptor (AR) and sex steroid binding protein (SSBP). The levels of hormonally active substances were low in males whereas females had accumulated significant amounts of several chemicals capable of binding to the hormone receptors. The levels of ligands detected in pulp mill effluent samples were substantially reduced after secondary treatment. Fractionation of final effluent extracts showed only ligands for the AR in the hydrophobic region (log Kow >5), which corresponded to the activities detected in fish tissues from both sexes. It can be concluded that ligands for fish sex steroid receptors are present in final effluent after treatment at the pulp mill and chemicals with the same Kow are bioavailable to fish under spring freshet conditions. Further work at this site is necessary to determine the contribution of pulp mill and municipal sewage effluents to the physiological performance of fish in the Wabigoon River and to their burden of accumulated compounds.
Heat transfer investigation of laminar developing flow of nanofluids in a microchannel based on Eulerian–Lagrangian approach

In this article, laminar forced convection of nanofluids in a parallel plate microchannel under constant wall temperature is numerically investigated. A Eulerian–Lagrangian two-phase method is employed to simulate the flow and heat transfer of nanofluid in the microchannel. Navier–Stokes equations were solved using a finite difference method based on the projection algorithm while a Runge–Kutta method have been used to solve Lagrangian equations of the particle phase. A parallel code is developed on a cluster of processors which indicates a good performance to solve an Eulerian–Lagrangian problem. The convective heat transfer coefficient of nanofluids is better than the base fluid particularly in the entrance region. The results based on two phase modelling, show a slightly greater improvement in the heat transfer coefficient in comparison to the homogeneous single-phase nanofluid method. The obtained results show that the heat transfer enhancement increases as the nanoparticles volume fraction increases, and decreases with the Reynolds number for Cu–water nanofluid, while the alumina–water nanofluid have a different behaviour. A comparison of two different nanofluids showed the importance considering all of the nanofluid's properties not just thermal conductivity.
Single- and Multicomponent Vapor-Phase Adsorption of Xylene Isomers and Ethylbenzene in a Microporous Metal−Organic Framework

Vapor-phase adsorption of the C8 alkylaromatic components p-xylene (p-x), m-xylene (m-x), o-xylene (o-x), and ethylbenzene (eb) on the three-dimensional microporous metal−organic framework (MOF) Zn(BDC)(Dabco)0.5 (BDC = 1,4-benzenedicarboxylate, Dabco = 1,4-diazabicyclo[2.2.2]octane) was investigated. Single- and multicomponent fixed-bed experiments were carried out at temperatures ranging from 125 to 175 °C and total hydrocarbon pressures up to 0.10 bar. At high pressure, the adsorption capacity for all the components varies from 35 to 26 g/100 gads at 125 and 175 °C. Henry’s constants are slightly different for all C8 alkylaromatics, except for o-xylene, which is significantly higher. The adsorption enthalpies at zero coverage for the different isomers ranges from 77.40 (eb) to 79.84 kJ/mol (o-x), indicating that the C8 alkylaromatics have comparable interactions with the framework at the low coverage. On the basis of binary and quaternary breakthrough experiments performed at different hydrocarbon pres.
Preparation and Electrochemical Properties of the Green Ytterbium (III) and Lutetium (III) Sandwich Complexes of Octabutoxy-Substituted Phthalocyanine

The Yb(III) and Lu(III) sandwich complexes of 2,3,9,10,16,17,23,24-octabutoxyphthalocyanine (H2obPc) were prepared and characterized. Those electrochemical properties in CH2Cl2 were studied by means of cyclic voltammetry and absorption spectra in 320–1600 nm region monitored during controlled-potential electrolysis.
Solid‐Phase Extraction of Silver in Geological Samples and its Determination by FAAS

Abstract A macroporous and a nonionic resin, Amberlite XAD‐16 as a solid sorbent and N,N‐diethyl‐N′‐benzoylthiourea (DEBT) as a chelating agent have been used for the selective separation and preconcentration of silver. Sorption of silver was studied in three ways: sorption on DEBT impregnated Amberlite XAD‐16 by batch and column processes and sorption of Ag‐DEBT complex on Amberlite XAD‐16 by column process. Factors affecting the sorption and desorption of silver ion were investigated. The stripping of silver was achieved by using either sodium thiourea or sodium thiosulfate solution. The silver ion capacity of impregnated resin was found to be 11.22 mg Ag+/g resin and 870 µg Ag+/g resin for batch and column processes, respectively. It was 370 µg Ag+/g resin for Ag‐DEBT complex. The interference effects of possible co‐existing metal ions and some electrolytes were investigated. The applicability of the proposed method was shown by analyzing the geological copper ore samples.
Gas Evolution in Liquids and Cavitation

Nine heavy lubricating oils, four light lubricating oils, three aircraft engine fuels, one diesel fuel, and distilled water were tested for their air solubility and for the rate of solution and evolution of air when equilibrium is disturbed. The technique consisted of shaking of a container partly filled with liquid and taking accurate pressure measurements of the air above the liquid. Since air in solution exerts no pressure, the variation of pressure during and after the agitation furnished information on the amount of air that went into or came out of solution and their time rates. The solution was considered to have reached equilibrium when further shaking no longer changed the air content of the liquid.A wide variation exists in the solubility constants and rates, but the rate of evolution was always found to be proportional to the supersaturation, and the rate of solution to the undersaturation, under otherwise similar conditions. At room temperature the air solubility constant for distilled water i.