Miracle-dz/UniFAR-FTUs huggingface dataset:
Collection and interpretation of neutron diffraction measurements on urea

Problems in the collection and analysis of accurate diffraction data have been explored in a careful study of urea. Initial neutron measurements on non-spherical crystals show that little confidence can be placed in the values of extinction parameters derived for a non-spherical crystal of a hydrogenous material used in a neutron-diffraction experiment. It is also shown that multiple Bragg scattering is an important source of error. Uncertainties in the absorption and extinction corrections can be overcome by using a spherical crystal with μR ≃ 0.5. Corrections for the effects of multiple Bragg scattering were made by correlating complete sets of data measured at three different wavelengths. A number of models based on rigid-molecule vibrations and anharmonic interactions between atoms were used to treat the effects of thermal vibration. The best results were obtained from a refinement of the spherical-crystal data using general thermal parameters plus corrections for curvilinear motion, but a rigid-molecule treatment, with fewer vibrational parameters, was not much worse. Anharmonic effects did not seem to be appreciable. To look for possible `bonding features' in urea, difference syntheses computed from X-ray data and calculated X-ray structure factors based on the neutron results were plotted. It was not possible to remove the deep negative differences at the atomic positions by adjusting a scale factor and a thermal diffuse scattering correction, and it is probable that a real discrepancy exists between the observed and calculated structure factors.
Measurement of Microbial Colonisation of Two Types of Stainless Steel

The biological colonisation of stainless steel surfaces (AISI 304 resp. 316L) was investigated by monitoring the development of natural biofilms, axenic biofilms with selected laboratory strains, and axenic biofilms with a natural biofilm isolate. Digital image analysis of epifluorescence microscopic photographs for quantification of biofilm formation was applied. The strains producing extracellular polymeric substances (EPS) were faster at colonising of steel surface than a non-EPS producing reference strain. However, by far the most rapid colonisation was achieved by the xenic microbiota present in surface water. A distinct preferential colonisation of grain boundaries of the steel surface was noticeable. This is probably related to minor physical or chemical differences in surface characteristics. These (micro) heterogeneities on the steel surface are considered to be related to subsequent anode/cathode formation or to corrosion of the steel. Finally, the steel grade 304 was slightly more susceptible to colonisation than 316L as observed by digital image analysis, most probably due to the presence of molybdenum in the case of 316L.
SENSING PROPERTIES OF MNO 2-DOPED POLYANILINE/POLY (VINYL ALCOHOL) BLEND

MnO 2-Doped Polyaniline/Poly (Vinyl alcohol) thin films were prepared chemical oxidative polymerization, us ing microwave oven technique on glass substrate. These thin films prep ared by using Analytical Reagent grade solutions of Polyaniline, Poly (Vinyl alcohol), MnO 2, primary dopant hydrochloric acid are mixed in stoic hiometric proportion. The solutions were kept in mi crowave for 10 sec then oxides with ammonium peroxydisulphate o xidant, then after kept in water bath to obtain the uniform thin films. Films were dries it in air medium for an hour. The electrical and gas sensing properties of these films were inve stigated. MnO 2, Doped Polyaniline/Poly(Vinyl alcohol) thin films showed better ammonia and trimethyl ammine vapour respons e as compared to undoped Polyaniline / Poly (Vinyl alcohol) thin films. The gas response was observed to be increased with the ir stoichiometric composition of films.
The Effect of Roll Slide Mobilization and Traction Manual on Knee Pain Scale Intensity Patients with Osteoarthritis

: Osteoarthritis was a chronic joint disease that is characterized by abnormalities in the cartilage of the joints and nearby bones. Cartilage (cartilage) is the part of the joint that lines the end of the bone, to facilitate the movement of the joint. The occurrence of osteoarthritis is influenced by various risk factors such as age (aging process), genetic, obesity, joint injury, anatomical anomaly, metabolic disease and inflammatory joint disease. The objectives of this research is to determine the effect of roll slide and manual traction mobilization on the intensity of the knee pain scale in patients with osteoarthritis. The method used a quasi-experimental one group pre and post test, with a sample of 22 respondents. Pain scale measurement using VAS, using paired t-test analysis. The results of the test showed that there was an influence of the provision of Slide Slide and Manual Traction Mobilization to decrease the intensity of the knee pain scale with the results of paired sample t-test results obtained p-value <a (0,000 <0.05). The Conclusion there was the effect of providing roll slide mobilization and manual traction on the intensity of the knee pain scale patients with osteoarthritis. The researcher suggests to the next researcher add the number of samples and longer time so that the results obtained are more optimal.
Degradation of methanethiol in an UASB reactor: reactor performance and salt tolerance

Because of their potential negative effects on the environment, organosulfur compounds have to be removed from petroleum and fossil fuels. Alkaline solutions (e.g. Na2CO3) are used to extract hydrogen sulfide and acidic organic sulfur compounds, such as thiols (R-SH) from natural gas or LPG. A caustic wastewater is formed containing these sulfur compounds. The objective of this study was to investigate if methanethiol could be biologically degraded in an Upflow Anaerobic Sludge Bed (UASB) reactor. A screening with several anaerobic sludges was carried out for the anaerobic degradation of methanethiol (MT), ethanethiol (ET) and propanethiol (PT). Only degradation of MT was found possible with some sludge types. A UASB reactor (1.6 L), inoculated with a positively screened sludge, was fed with MT (2-6 mM) and operated at 30oC and pH 7.2-7.5. Volatile organic sulfur compounds (VOSC) and sulfide were monitored during UASB reactor operation. The removal efficiency of MT was more than 90% for almost the entire experiment, while 70-85% of the organic sulfur was recovered as sulfide in the effluent. In separate batch tests it was found that sludge, which had been exposed to MT for 126 days in the reactor, degraded MT 3-7 times faster compared to the sludge at time zero. Addition of 25 g/L NaCl or 29 g/L NaHCO3 caused a 50% reduction in the MT degradation rate compared to low salt conditions.
Noble metal-free electrocatalysts for the oxygen reduction reaction based on iron and nitrogen-doped porous graphene

Iron and nitrogen-functionalized porous graphene (Fe/N/GR) was prepared using commercial ZnO as a template without surface modification of the template. Due to the high isoelectric point, the positively charged ZnO serves as a template for the adsorption of negatively-charged graphene oxide (GO). In the presence of the N precursor and Fe source, the pyrolysis of ZnO/GO and the subsequent removal of the Fe species and ZnO template produce porous Fe/N/GR. The increased distance between layers of porous Fe/N/GR and the large surface area effectively alleviate the aggregation of GR sheets and are favorable for the exposure of active sites for the oxygen reduction reaction (ORR). Many active sites of nonporous Fe/N/GR catalysts are secluded inside the aggregated GR sheets, while they are exposed at the surface of porous Fe/N/GR catalysts with a porous structure and large surface area. Porous Fe/N/GR may be further used as efficient and inexpensive noble metal-free ORR catalysts in both alkaline solutions and acidic solutions.
XPS Studies of Oxygen Evolution on Ru and RuO2 Anodes

Anodic oxidation of Ru and electrodes in has been investigated using x‐ray photoelectron spectroscopy. During evolution on Ru a highly defective hydrated oxide film is formed as a result of corrosion. At a temperature of 310°C in vacuum this film decomposes to metallic ruthenium. The surface of anodes prepared by thermal decomposition of contains some , which is stable during anodic polarization. A reaction path for evolution and corrosion on Ru and anodes is proposed.
A New Open-framework Iron Borophosphate from Ionic Liquids: KFe[BP2O8(OH)]

A new open-framework iron borophosphate, KFe(BP 2O8(OH)), has been obtained by ionothermal synthesis from KH 2PO 4, FeCl 3� 4H 2O, H3BO 3 and (C4mpyr)Br (1-butyl-1-methylpyrrolidinium bromide). Single-crystal X-ray diffraction analysis shows that KFe(BP 2O8(OH)) (monoclinic, P21/c, a = 9.372(2) A , b = 8.146(2)A , c = 9.587(2) A, β = 101.18(3)°, V = 718.0(2)A 3 and Z = 4) has a three-dimensional (3-D) framework structure composed by {Fe(III)O5(OH)} octahedra as well as {BO 3(OH)} and {PO 4} tetrahedra. As anionic structural sub-unit, KFe(BP 2O8(OH)), contains an infinite open-branched {(BP 2O8(OH)) 4- } chain which is formed by alternating {BO 3(OH)} and {PO 4} tetrahedra. {Fe(III)O 5(OH)} octahedra share common O corners with five phosphate tetrahedra and the OH corner links to the hydrogen borate group to give a 3D framework. The negative charges of the inorganic framework are balanced by K + ions.
Two novel Ag(I) coordination polymers with triazoles derivatives: synthesis, crystal structures and biological activity

Two novel coordination polymers, [Ag(L1)(NO3)]n1 and [Ag(L2)2(ClO4)]n2 [L1 = 1-(1-benzotriazole-yl-)triazole, L2 = 1-(4-chloro-pyridazine-yl-)triazole] have been synthesized and characterized. Single-crystal X-ray analyses show that the Ag(I) atom is in a four-coordinated distorted tetrahedron environment, which are linked by the coordinated nitrate group and L1 into a two-dimensional network in complex 1. While in the complex 2, the Ag(I) is also in a distorted tetrahedron environment consisting of four N atoms to present a one-dimensional infinite chain, the intermolecular π− π stacking action extends further the repeated units into three-dimensional topological framework. The biological activities of the title compounds have been studied. The results indicate that two ligands exhibit excellent radical-scavenging activities and certain fungicidal activities, and both Ag(I) complexes only have good antibacterial activities. Furthermore, the studies on luminescent properties of the complexes in the solid state indicate that the Ag(I) complexes exhibit weaker fluoresce intensity than that of ligands at room temperature. Copyright © 2008 John Wiley & Sons, Ltd.
Syntheses of Branched Non‐1‐ynitols by Chemoselective Addition of (Trimethylsilyl)‐propargylmagnesium Bromide at the Anomeric Center of Side Chain Halogeno Functionalized Carbohydrates

A convenient method for the syntheses of non‐1‐ynitols 8a–8d, by chemoselective addition of (trimethylsilyl)‐propargylmagnesium bromide at the anomeric center of a 1‐unprotected sugar, in the presence of 3‐C′‐halide and 3‐C′‐silyl functions in the side chain is described. In addition, an efficient method for the synthesis of 3‐C′‐hydroxymethyl sugar 3 via the addition of C1 silyl Grignard reagents to ulose 1 and subsequent oxidation by the Fleming‐Tamao method in excellent yields is reported. Also, a suitable acid‐catalyzed isomerization of the 1,2‐O‐isopropylidene group to the 2,3‐O‐isopropylidene group (5a–5f), to get access to the anomeric center, in good to excellent yields has been depicted.
Solar driven hydrogen releasing from urea and human urine

Urea has been considered as a potential hydrogen source, while the conventional methods to extract hydrogen from urea are typically energy intensive processes. Here we report the first demonstration of solar driven hydrogen releasing from urea and human urine in a photoelectrochemical cell, with the assistance of Ni(OH)2 modified metal oxide photoelectrodes (e.g., TiO2 and α-Fe2O3). Ni(OH)2 serves as a urea oxidation catalyst. Under light illumination, photoexcited holes generated at the metal oxide electrode oxidize urea, while photoexcited electrons reduce water to produce hydrogen gas at the Pt counter electrode. Urea oxidation was achieved under a small external bias or even at zero bias. Significantly, we observed continuous and stable hydrogen evolution at the Pt electrode in both urea and human urine electrolyte solutions under AM 1.5G (100 mW cm−2) light illumination. This work presents a safe, low energy cost, environmentally friendly and sustainable method to produce hydrogen, and simultaneously treat urine.
Diverse deformation properties of polymeric nanocapsules and lipid-core nanocapsules

The deformation properties of submicrometric drug carriers can influence their tissue-penetration ability and thus the drug targeting. The aim of this study was to determine whether the oily core composition (raw oils or a dispersion of oils and solid lipid) surrounded by a polymeric wall [poly(e-caprolactone), (PCL)] can affect the deformation properties of nanocapsules (NCs) or lipid-core nanocapsules (LNCs). Formulations were prepared as aqueous suspensions using a polymer and either a mixture of caprylic/capric triglyceride (CCT) and octyl methoxycinnamate (OMC) or a mixture of CCT, OMC and sorbitan monostearate (SM) as core components, respectively. Formulations had mean diameters close to 200 nm presenting monomodal distributions. A polysorbate 80 coating rendered ζ-potential values close to zero, acting as a steric stabilizer. Atomic force microscopy (AFM) showed, through force curves analysis, that the cantilever deflection was more pronounced for the LNCs than for the NCs. The same force applied to NC produced an indentation around twice that observed for the LNCs. The Young's modulus (E) values were 0.537 MPa (LNC) and 0.364 MPa (NC) considering conical geometry while E = 0.17 MPa (NC) and E = 0.241 (LNC) for spherical geometry. These data confirm that the LNCs are stiffer than the NCs. The rigidity of both the polymer wall and lipid core is higher for LNCs. In conclusion, LNCs presented distinct mechanical properties compared to the conventional polymeric NCs.
Substrate-site selective growth of aligned carbon nanotubes

We report highly substrate-site selective growth of carbon nanotubes by chemical vapor deposition from precursors of ferrocene and xylene mixtures. The technique allows us to grow well-aligned multiwalled carbon nanotubes preferentially on the SiO2 regions of patterned SiO2/Si substrates prepared by conventional lithography. This eliminates the catalyst predeposition step in the fabrication process. This simple approach may also be applied to build large-scale networks of organized nanotubes on planar substrates.
Micro‐scale distribution of microorganisms and microbial enzyme activities in a soil with long‐term organic amendment

Microbial ecology is the key to understanding the function of biodiversity for organic matter cycling in the soil. We have investigated the impacts of farmyard manure added over 120 years on organic matter content, enzyme activities, total microbial biomass and structure of microbial populations in several particle‐size fractions of a Luvic Phaeozem a few kilometres northeast of Halle, Germany. We compared two treatments: no fertilization (control) and 12 t farmyard manure (FYM) ha−1 year−1 since 1878. The fine fractions contained most C and N, microbial biomass, total amount of phospholipid fatty acids (PLFAs) and greatest invertase activity. Xylanase activity as well as fungal biomass increased only gradually with diminishing particle size, whereas the relative abundance of fungi decreased with diminishing particle size. The least diversity of the soil microbial community, indicated by the smallest Shannon index based on the abundance and amount of different PLFAs and small number of terminal restriction fragments (T‐RFs) of 16S rRNA genes, was in the sand fractions. The results supported the hypothesis that this microhabitat is colonized by a less complex bacterial community than the silt and clay fractions. Addition of FYM had enhanced the amount of organic matter, total microbial biomass, and xylanase and invertase activity, and induced a shift of the microbial community towards a more bacteria‐dominated community in the coarse sand fraction. Microbial communities in finer fractions were less affected by addition of FYM.
A Systematic Approach for Changing XML Namespaces in XML Schemas and Managing their Effects on Associated XML Documents under Schema Versioning

: Although a lot of research work has been done concerning schema changes that deal with basic components of XML Schemas, like element and attribute declarations, simple types, and complex type definitions, the current literature of the XML database field does not include any paper that studies changes of advanced concepts of XML Schemas, like XML namespaces, local (or global) qualified (or unqualified) declarations, and schema definition styles (e.g., Russian Doll, Garden of Eden). In this paper, we study how XML namespace evolution is handled in an XML environment that supports both schema and document versioning. To the best of our knowledge, this is the first work on such a topic. Indeed, we propose a systematic approach that allows specifying changes on XML namespaces defined in XML Schemas, and propagating their effects to underlying XML documents, while maintaining all XML schema and XML instance versions.
DETERMINATION OF CYCLAMATE RADICAL BY SINGLE-COLUMN ION-CHROMATOGRAPHY WITH A BULK ACOUSTIC WAVE DETECTOR

A chromatographic method based on a combination of single-column ion-chromatography separation with a bulk-acoustic-wave double-cell quartz crystal (DCQC) detector quantification for the determination of cyclamate in foodstuffs and body fluids was developed. The chromatographic system involves the use of a Shimadzu IC-A1 column with 5mM o-phthalic acid/methanol (90:10 V/V) as a mobile phase. The method exhibits an acceptable detection limit and anti-interference ability. The DCQC detector has a low temperature coefficient and high conductance sensitivity. Foodstuff and body fluid sample such as ice cream, beverage, dried fruit of Areca catechu L. , and urine were analysed successfully.
Studies in the protection of pyrrole and indole derivatives

Treatment of pyrrole (1a), 2,5-dimethylpyrrole (1b), indole (3a), 2-methylindole (3b), 3-methylindole (3c), 2,3-dimethylindole (3d), 1,2,3,4-tetrahydro-9H-carbazole (5a), 5,6,7,8,9,10-hexahydro-cyclohept[b]indole (5b), and 6,7,8,9,10,11-hexahydro-5H-cyclo-oct[b]indole (5c) with sodium hydride in tetrahydrofuran, followed by phenyl t-butyl carbonate (8) gives the corresponding N-t-butoxycarbonyl (t-BOC) derivatives [(2a), (2b), (4a), (4b), (4c), (4d), (6a), (6b), and (6c), respectively] in satisfactory yields. By using chlorodimethyl-t-butylsilane instead of (8), N-dimethyl-t- butylsilyl derivatives [(10a), (10b), (11a), (11b), (11c), (11d), (12a), and (12b)] are obtained, also in satisfactory yields. The use of the 2-(trimethylsilyl)ethoxycarbonyl (TEOC) group for the N-protection of the indole system, and the pivaloyloxymethyl (POM) group for the N-protection of the pyrrole and indole systems is also described.
Computer simulations of bilayer membranes - self-assembly and interfacial tension.

Binary Lennard-Jones fluids consisting of “solvent” and “surfactant” molecules are studied as simplified model systems for amphiphilic molecules in solution. Using Monte Carlo and molecular dynamics simulations, we observe the self-assembly of the surfactant molecules into bilayer membranes. These bilayers are fluid since the surfactants exhibit rapid lateral diffusion. We also measure the interfacial tension and the compressibility modulus of these bilayers. We show that they exhibit a tensionless state and characterize the corresponding stress profile. In this way, we bridge the gap between previous theoretical studies which were based (i) on discrete models with atomic resolution and (ii) on continuum models in which the bilayer membrane is treated as a smooth surface.
METAL‐INDUCED SULFATE ADSORPTION BY SOILS: II. EFFECTS OF METAL TYPE, VALENCE, AND CONCENTRATION

Studies of the effect of the metal ion (K+, Cs+, Ca2+, Mg2+, Al3+, or In3+) on SO2−4 adsorption by four diverse acid soils, two from Iowa (dominated with permanent charge), and one each from Chile and Costa Rica (two highly weathered soils with variable charge) showed that SO2−4 adsorption was greatly affected by the concentration of the metal ion. For the same valence of metal ion, SO2−4 adsorption increased with increasing ionic radius of the metal ion. When the metal was maintained at a high, constant concentration (12.00 mmolc L−1), SO2−4 adsorption was greater than when the SO2−4 and the associated metal ions were added at equivalent concentrations. For all the SO2−4 forms studied, the amounts of SO2−4 adsorbed by the two Iowa soils (low in hydrous Al and Fe oxides) were considerably less than those adsorbed by the soils from Chile and Costa Rica (high in hydrous Al and Fe oxides). For the two Iowa surface soils, the ratios of SO2−4/metal adsorbed were low; they ranged from 6.4 to 11.8 x 10−2. These ratios were several times greater for the two highly weathered soils from Chile and Costa Rica than for the two Iowa soils, reflecting their greater contents of hydrous Al and Fe oxides. The distribution coefficient (Kd) values for SO2−4 were greater when Al3+ and In3+ were the metal ions than when K+, Cs+, Ca2+, and Mg2+ were the metal ions; the values increased with decreasing initial SO2−4 concentration, especially when trivalent metal ions were the associated counter-ions. The results provide evidence that SO2−4 adsorption by soils is caused by more than one mechanism and that the metal ion significantly affects SO2−4 adsorption, regardless of the mechanism involved.
The Nutrient and Energy Contents of Medicago Varieties Growth in Salt- affected Soils of the Harran Plain 1

This study was carried out to determine the nutritive and energy value of some varieties of Medicago sativa in salt effected soil of Şanliurfa-Harran Plain (Ikizce) by using in vitro gas production kinetics. In this study, Medicago sativa (Elci), Medicago sativa (Barrier), Medicago Sativa (13R Supreme) were used and tested in two different locations having two salinity levels which are salty (EC: 8-16 dS/m) and non salty (EC< 4 dS/m), using a 3*2 factorial block design in three replications during the three years. Results indicated that there were no significant differences among varieties in terms of nutrient composition. However, dry matter (DM) was changed according to varieties and soil*variety interactions. Medicago sativa produced higher dry matter under all saline conditions. The dry matter values of Medicago sativa barrier were lower than those other varieties. The salt response was noted further in sub varieties than Medicago sativa in terms of dry matter. Relative feed values (RFV) of all varieties ranged from 144 to 170 and were quite satisfactory in salty soil conditions. The in vitro gas production kinetics and metabolizable energy (ME), net energy lactation (NEL) and organic matter digestibility (OMD) were affected from the salinity levels of soils. Results showed that salt stress on plants decreased gas production parameters, energy and OMD values of all varieties.
A Generalized Equation for Diffusion in Liquids.

The association parameter in the diffuswn equaiior, dye fo Wiike one Chong has been interpreted in deferminable properties, thus permitting easily the calculation of the same for unknown systems. The proposed eqyotion a! se holds goods for water as soiute in organic solvenfs. The over-all percentage error remains the sarrse as that of the original equation.