Miracle-dz/UniFAR-FTUs huggingface dataset:
Preferential flow descriptions for structured soils

In heterogeneous structured soils, water and transported dissolved substances and suspended particles and colloids may under certain conditions bypass most of the soil porous matrix thereby creating nonequilibrium conditions in pressure heads and solute concentrations between preferential flow paths and the soil matrix pore region. Preferential flow severely limits the applicability of standard models for flow and transport that are mostly based on Richards' equation and the convection-dispersion equation. A number of various model approaches have been proposed to overcome this problem. These models mostly try to separately describe flow and transport in preferred flow paths and slow or stagnant pore regions. Discrete fracture models are more frequently suggested in hydrogeology and often more empirically for cracked clay soils. The two-domain approach assumes two interacting porous continua for either mobile-immobile (compartment models) or mobile-mobile pore systems for solute transport and for water movement. Such models were derived by rigorous "upscaling" methods (microstructure models), or by more empirically assuming two macroscopic scale systems. Representation of effective local (i.e., structural) geometry remains a problem when applying these models to soil systems. The dual-permeability models differ in the description of flow in the preferential flow domain (i.e., either Richards' equation assuming capillarity or kinematic wave approach for gravity flow) and with respect to the mass-transfer formulation (i.e., from pressure head- or saturation-based first-order type formulations to more complex nonlinear formulations or numerical solutions of the local flow equation). Despite the enormous progress that has been accomplished to improve both the modeling as well as the parameter determination, many challenges remain, in particular, how to capture dynamic soil structure effects to improve quantitative understanding and descriptions of preferential flow and transport processes.
Investigation of the Efficiency of Selected Bacterial and Fungal Species in the Removal of Phosphate and Sulphate from Wastewater

The aim of this study was to ascertain the efficiency of selected bacteria (Pseudomonas, Staphylococcus, Klebsiella and Lysinibacillus species) and fungi (Aspergillus niger, Aspergillus flavus, Fusarium and Absidia species) in the removal of phosphate and sulphate compounds from wastewater. The study was carried out under shaking flasks conditions. The test wastewater was filtered, sterilised and inoculated with the respective test bacterial and fungal isolates. Just after inoculation with a test isolate and every 24 h for 96 h, aliquot wastewater sample was taken from each flask aseptically for the estimation of phosphate and sulphate concentration in the wastewater. The results revealed remarkable phosphate and sulphate removal within the first 24 h and 48 h, respectively of incubation in the presence of three of the bacterial (Pseudomonas, Staphylococcus and Klebsiella) isolates, after which increases were observed. In the presence of the fungal isolates, remarkable decreases in phosphate and sulphate levels in the wastewater were observed after the first 48 h of incubation in the presence of the Aspergillus niger and Aspergillus flavus. In the presence of the Fusarium spp. , there were Review Article Dahunsi et al.; JSRR, Article no. JSRR.2014. 14.004 1876 consistent decreases in phosphate and sulphate levels with time. No remarkable decreases in phosphate and sulphate levels were observed with time in the presence of the Lysinibacillus and Absidia species. The study was able to give an insight into the phosphate and sulphate removal ability of the test isolates under the experimental conditions.
Combining XRF analysis and chemometric tools for a preliminary classification of argentine soils

A procedure for the non-destructive elemental analysis of soils using wavelength-dispersive X-ray fluorescence spectrometry (WDXRF) is proposed. The determination of minor and trace elements is considered. It does not require any sophisticated treatment of the sample. The method was validated using certified soil standard reference materials, obtaining satisfactory agreement between the WDXRF results and the certified values. The multielemental information provided by the proposed method was used to model a classification of Argentine soils by chemometric analysis.
Structure of DNA toroids and electrostatic attraction of DNA duplexes

DNA–DNA electrostatic attraction is considered as the driving force for the formation of DNA toroids in the presence of DNA condensing cations. This attraction comes from the DNA helical charge distribution and favours hexagonal toroidal cross-sections. The latter is in agreement with recent cryo-electron microscopy studies on DNA condensed with cobalt hexammine. We treat the DNA–DNA interactions within the modern theory of electrostatic interaction between helical macromolecules. The size and thickness of the toroids is calculated within a simple model; other models of stability of DNA toroids are discussed and compared.
Sources of fine organic aerosol. 2. Noncatalyst and catalyst-equipped automobiles and heavy-duty diesel trucks

Gasoline- and diesel-powered vehicles are known to contribute appreciable amounts of inhalable fine particulate matter to the atmosphere in urban areas. Internal combustion engines burning gasoline and diesel fuel contribute more than 21% of the primary fine particulate organic carbon emitted to the Los Angeles atmosphere. In the present study, particulate (d[sub p] [le] 2 [mu]m) exhaust emissions from six noncatalyst automobiles, seven catalyst-equipped automobiles, and two heavy-duty diesel trucks are examined by gas chromatography/mass spectrometry. The purposes of this study are as follows: (a) to search for conservative marker compounds suitable for tracing the presence of vehicular particulate exhaust emissions in the urban atmosphere, (b) to compile quantitative source profiles, and (c) to study the contributions of fine organic particulate vehicular exhaust to the Los Angeles atmosphere. More than 100 organic compounds are quantified, including n-alkanes, n-alkanoic acids, benzoic acids, benzaldehydes, PAH, oxy-PAH, steranes, pentacyclic triterpanes, azanaphthalenes, and others. Although fossil fuel markers such as steranes and pentacyclic triterpanes can be emitted from other sources, it can be shown that their ambient concentrations measured in the Los Angeles atmosphere are attributable mainly to vehicular exhaust emissions. 102 refs., 9 figs., 6 tabs.
Polymeric coatings for protection of historic monuments: Opportunities and challenges

The conservation and protection of historic monuments or culturally significant structures have recently attracted much attention from material scientists. This review is given of the various aspects of the monuments protection such as the main reasons of damaging and spoiling of the historical monuments, the factor of contact angle as one of the essential parameters in the selection of polymeric coatings, and some of usual types of polymeric materials used for monument protection. There has been growing interest in developing novel materials for using in protective fields. Nowadays, the polymeric coatings, especially those with high hydrophobicity, are widely used to decrease or even stop further deterioration of historical monument. This review presents some of the most well-known polymers used as protective materials such as acrylics, alkoxysilanes, fluorinated polymers, and hybrid organic–inorganic coatings. Furthermore, hybrid organic–inorganic coatings as a new class of materials are increasingly interesting materials because of their extraordinary properties deriving from the combination of the different building blocks and it is attempted to focus on this materials. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
Coke formation in the catalytic cracking of bio‐oil model compounds

Catalytic cracking plays an important role in upgrading crude bio‐oil. However, coke formation during the upgrading of bio‐oil can deactivate catalysts and is a major problem. In this work, the catalytic cracking of bio‐oil models was conducted to study the coke formation using a fixed‐bed reactor. The reaction conditions including temperature and weight hourly space velocity (WHSV) have significant influence on the coke yield. The liquid product was analyzed to illustrate the main reaction pathway occurring in the catalytic cracking of the oxygenated compounds in the bio‐oil. In order to clarify the molecular structure of the coke precursor, the trichloromethane extraction of the deactivated catalyst was analyzed by 13C NMR. © 2014 American Institute of Chemical Engineers Environ Prog, 34: 240–247, 2015
Superparamagnetic Twist‐Type Actuators with Shape‐Independent Magnetic Properties and Surface Functionalization for Advanced Biomedical Applications

Directed nanoparticle self‐organization and two‐photon polymerization are combined to enable three‐dimensional soft‐magnetic microactuators with complex shapes and shape‐independent magnetic properties. Based on the proposed approach, single and double twist‐type swimming microrobots with programmed magnetic anisotropy are demonstrated, and their swimming properties in DI‐water are characterized. The fabricated devices are actuated using weak rotating magnetic fields and are capable of performing wobble‐free corkscrew propulsion. Single twist‐type actuators possess an increase in surface area in excess of 150% over helical actuators with similar feature size without compromising the forward velocity of over one body length per second. A generic and facile combination of glycine grafting and subsequent protein immobilization exploits the actuator's increased surface area, providing for a swimming microrobotic platform with enhanced load capacity desirable for future biomedical applications. Successful surface modification is confirmed by FITC fluorescence.
Combined X-ray diffraction and Raman spectroscopy studies of phase transitions in crystalline amino acids at low temperatures and high pressures: selected examples

Crystalline amino acids are interesting as molecular materials, drugs, and biomimetics. The advantage of complementing diffraction and Raman spectroscopy studies for achieving a better understanding of the interrelation between the intramolecular motions and the distortions of the intermolecular hydrogen-bond networks is illustrated at several selected examples of low-temperature and high-pressure phase transitions in the β- and γ-polymorphs of glycine, L-serine, L- and DL-cysteine.
In vitro interactions between calcium, zinc, copper and iron in milk- and soy-based infant formulas / Interacciones in vitro entre calcio, cinc, cobre e hierro en formulas de base láctea y de soja para lactantes

Interactions among calcium, zinc, copper and iron in milk- and soy-based infant formulas were as sessed in order to evaluate the influence of supplementation with one trace element on the bioavailability of the others. The criterion used to estimate the bioavailability is the percentage of dialysis, estimated by applying an in vitro method. Infant formulas were supplemented with CaCl2, ZnO, CuCO3 Cu(OH) 22H2O and FeSO4 7H2O at two levels (maximum (+) and minimum (-) allowed by the European Union). A factorial design at two levels with three factors (Zn, Cu and Fe addition) was carried out. The main effects and the second-order interactions of the studied factors on the bioavailability of a given element were estimated. The results obtained for milk-based formulas clearly indicated the negative influence of iron at the high addition level (+) on the dialysis percentage of calcium, and of zinc at the high addition level (+) on its own dialysis percentage, whereas in the same type of formulas, the addition of zinc had a positive effect on the copper dialysis percentage. In soy- based formulas a negative effect of added copper (+) on its own dialysis percentage was observed. The most important second order interaction found to be significant was the negative effect of (zinc x iron) on copper dialysis in milk-based formulas.
Electric Charge Accumulation in Polar and Non-Polar Polymers under Electron Beam Irradiation

The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula.
Monodisperse Thioether-Stabilized Palladium Nanoparticles: Synthesis, Characterization, and Reactivity

Size control of monodisperse palladium nanoparticles with sizes ranging from 1.7 to 3.5 nm was accomplished using thioethers as stabilizing ligands, in a one-step procedure. Modulation of the reaction temperature, reaction time, solvent, and carbon chain length of the thioether provided control over the nanoparticle size and size distribution. The resulting Pd nanoparticles were characterized by transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and X-ray diffraction (XRD). 1H NMR spectroscopy provided insight into the thioether−Pd nanoparticle surface interaction. To demonstrate the catalytic activity of the thioether-stabilized Pd nanoparticles, hydrogenation reactions were carried out using the as-synthesized Pd nanoparticles. We observed a trend in the reactivity of the nanoparticles with respect to their size, however, recovery of the nanoparticles following subsequent reactions was rather challenging. Immobilization of the Pd nanoparticles onto commerci.
Toward a Description of the Conformations of Denatured States of Proteins. Comparison of a Random Coil Model with NMR Measurements

A strategy is proposed to describe the backbone conformations sampled in denatured states of proteins. Main chain dihedral angle distributions are extracted from the protein data base and used to predict NMR parameters such as coupling constants and NOE intensities. A simple model in which each residue samples its φ,ψ distribution noncooperatively has been found to reproduce many of the features of experimental NMR data for hen egg-white lysozyme denatured in 8 M urea at low pH. This model provides a framework which allows identification of residual structure inherent in experimental data of nonnative states of proteins. The effects of introducing local conformational cooperativity on NMR parameters are discussed and analyzed in light of the experimental data for lysozyme.
Chemistry of leaf waxes in relation to wetting

The hydrophobic property of waxes depends upon their chemical constitution and almost certainly upon the orientation of molecules of their constituents. Contact angles of the most important classes of constituent range from 94° to 109°. No class of constituent is very water-repellent; alkenes are the most hydrophobic but esters, ketones and secondary alcohols are almost as hydrophobic. Waxes containing large amounts of alkanes are the least wet table. the least hydrophobic classes are α-ω-diols, sterols and triterpenoids. the wettability of wax constituents increases with an increase in polarity especially as a result of terminal substitution of the aliphatic molecule or a cyclic structure.
Evidence for kinetic effects in the folding of large RNA molecules

When RNA secondary structures predicted by free energy minimization programs are compared with the structures obtained by phylogenetic comparison it is found that there are often substantial differences. Here we consider a sample of large RNA molecules including 16S and 23S ribosomal RNA, and RNaseP RNA, and compare the minimum free energy and phylogenetic structures for domains of different size within the molecule. The pattern of differences between the structures is consistent with the idea that the native structures are influenced by the kinetics of the folding process, rather than solely by free energy minimization. It is found that the free energy of small domains in the phylogenetic structure of size 100 bases or less is usually much lower (i.e., more stable) than the average value of the minimum free energy of typical domains of corresponding size, whereas the reverse is true for large domains. We interpret these results using a picture of the folding process where short range secondary structure .
Local Ca2+ transients and distribution of BK channels and ryanodine receptors in smooth muscle cells of guinea‐pig vas deferens and urinary bladder

1 The relationship between Ca2+ sparks spontaneously occurring at rest and local Ca2+ transients elicited by depolarization was analysed using two‐dimensional confocal Ca2+ images of single smooth muscle cells isolated from guinea‐pig vas deferens and urinary bladder. The current activation by these Ca2+ events was also recorded simultaneously under whole‐cell voltage clamp. 2 Spontaneous transient outward currents (STOCs) and Ca2+ sparks were simultaneously detected at ‐40 mV in approximately 50 % of myocytes of either type. Ca2+ sparks and corresponding STOCs occurred repetitively in several discrete sites in the subplasmalemmal area. Large conductance Ca2+‐dependent K+ (BK) channel density in the plasmalemma near the Ca2+ spark sites generating STOCs was calculated to be 21 channels μm−2. 3 When myocytes were depolarized from ‐60 to 0 mV, several local Ca2+ transients were elicited within 20 ms in exactly the same peripheral sites where sparks occurred at rest. The local Ca2+ transients often lasted over 300 ms and spread into other areas. The appearance of local Ca2+ transients occurred synchronously with the activation of Ca2+‐dependent K+ current (IK,Ca). 4 Immunofluorescence staining of the BK channel α‐subunit (BKα) revealed a spot‐like pattern on the plasmalemma, in contrast to the uniform staining of voltage‐dependent Ca2+ channel α1C subunits along the plasmalemma. Ryanodine receptor (RyR) immunostaining also suggested punctate localization predominantly in the periphery. Double staining of BKα and RyRs revealed spot‐like co‐localization on/beneath the plasmalemma. 5 Using pipettes of relatively low resistance, inside‐out patches that included both clustered BK channels at a density of over 20 channels μm−2 and functional Ca2+ storage sites were obtained at a low probability of ≈5 %. The averaged BK channel density was 3‐4 channels μm−2 in both types of myocyte. 6 These results support the idea that a limited number of discrete sarcoplasmic reticulum (SR) fragments in the subplasmalemmal area play key roles in the control of BK channel activity in two ways: (i) by generating Ca2+ sparks at rest to activate STOCs and (ii) by generating Ca2+ transients presumably triggered by sparks during an action potential to activate a large IK,Ca and also induce a contraction. BK channels and RyRs may co‐localize densely at the junctional areas of plasmalemma and SR fragments, where Ca2+ sparks occur to elicit STOCs.
Heavy ion radiolysis of liquid benzene

The mechanisms responsible for the main products in liquid benzene radiolysis (biphenyl, molecular hydrogen, and phenyl radical) are probed with protons, helium ions, and carbon ions of a few to 30 MeV energy. Phenyl radical yields have been examined using iodine scavenging techniques. The results are combined with similar data for γ-rays and suggest that phenyl radicals mainly react with benzene to give a long-lived adduct, which leads to polymer formation. Iodine can react with this adduct to give enhanced yields of biphenyl. Biphenyl is the predominant single hydrocarbon product in the radiolysis of neat benzene with a yield of 0.075 molecule/100 eV. Its yield is nearly independent of radiation type and energy suggesting that its formation in neat benzene is due to a fast ion−molecule process and not due to phenyl radicals. The total yield of 0.7 radicals/100 eV is almost entirely due to phenyl radicals and H atoms. A reexamination of the fluorescence from the singlet excited state of benzene suggests .
Interactions of sanguinarine and chelerythrine with molecules containing a mercapto group

Capillary zone electrophoresis was applied to the investigation of the interaction of sanguinarine and chelerythrine with mercapto compounds including albumins at pH 7.4. Mercaptoethanol and L-cysteine were chosen for the identification of the type of interaction and for the identification of the interacting chemical form of these alkaloids. It was evidenced that sanguinarine and chelerythrine do not react chemically with these mercapto compounds at pH 7.4 and that non-covalent products form in this interaction. Their interaction is a fast and reversible complexation and is based on non-bonding intermolecular interactions. Conditional binding constants measured at pH 7.4 and 5.0 indicate that only uncharged forms of sanguinarine and chelerythrine (pseudobases) participate in complexation. A negatively charged group, either bound to the mercapto ligand or supplied by the solution, enters in the complexation. The simple 1 : 1 interaction scheme holds, therefore, only for mercapto compounds bearing an anionic group. Constants corrected for the abundance of the uncharged alkaloid form are of the order of magnitude of 104 l mol−1 and depend on the chemical composition of buffer. Interaction of sanguinarine and chelerythrine with human or bovine serum albumins is qualitatively identical with interaction of these alkaloids with simple mercapto compounds. Constants for the binding of uncharged form of sanguinarine with human and bovine serum albumins in sodium phosphate buffer at pH 7.4, corrected for abundance of the interacting uncharged form, are 332 000±38 400 and 141 000±14 400 l mol−1, respectively. The former agrees well with the value K=385 000 (or log K=5.59) reported from static experiments. For the uncharged form of chelerythrine, the constants are 2 970 000±360 000 and 1 380 000±22 600 l mol−1 for human and bovine serum albumins, respectively. Copyright © 2003 John Wiley & Sons, Ltd.
Dispersion modelling of toxic air pollutants from fossil fuel combustion facilities

The emissions of toxic air pollutants from three power plants and one oil refinery were measured for a period of six months and dispersion of pollutants were calculated by using Air Dispersion Modelling Software (ADMS-4). The plume concentration of carbon monoxide, oxides of nitrogen, sulphur dioxide and particulate matter were calculated over long distances to estimate the incremental contribution of these fossil fuel combustion facilities to ambient air. Overall in four plants, the emissions of sulphur dioxide were most critical and 50% of the total exposure was predicted within 20 km distance and the rest of the exposure was observed up to 70 km distances in radii of each plant. Although the annual average concentration increments from a limited number of sources studied were relatively small, but the long-range transport of pollutants created potentially significant health and environmental impacts.