Miracle-dz/UniFAR-FTUs huggingface dataset:
Correlation effects for interstitial-type self-diffusion mechanisms in b.c.c. and f.c.c. crystals

Abstract The tracer correlation factor, the quasi-elastic neutron scattering and the Mossbauer line broadening have been investigated in terms of the encounter model for a number of interstitial-type self-diffusion mechanisms in f.c. c. and b.c.c. crystals. In particular, the migration of (100) dumb-belle in the f.c. c. lattice and both the two- and three-dimensional migration of (110) dumb-bells in the b.c.c. lattice have been considered. From a comparison with similar calculations for vacancy-type mechanisms in both the f.c. c. and b.c.c. lattices, it is concluded that (1) the differences in the predicted correlation effects between monovacancy and dumb-bell interstitialcy mechanisms are substantial, but that (2) experiments aiming at distingusihing between the divacancy and dumb-bell mechanisms via correlation effects may not be very useful because of the rather small differences predicted. Our results are compared with recent experiments in solid sodium by means of quasi-elastic neutron scattering (Goltz.
The shear stress properties of ester lubricants in elastohydrodynamic contacts

This paper describes a systematic study into the influence of molecular structure on lubricant shear stress in elastohydrodynamic (EHD) contacts. An infrared emission technique has been employed to measure surface temperatures in an EHD contact and thence to determine the shear stress profile of lubricant films therein. The effect of structure on shear stress has been investigated by comparing the behaviour of a range of well-characterised, closely related, ester base fluids. Considerable variations in shear stress response to EHD conditions have been observed, depending upon the type and structure of the ester.
Effects of Nonelectrolytes on the Temperature of the Maximum Density of Water. I. Alcohols

The effects of various kinds of alcohol on the temperature of the maximum density of water were observed. The results revealed are as follows : 1) The change in the temperature of the maximum density due to alcohols, ΔT, is not proportional to the solute concentration, disobeying Despretz’s rule and in contrast with ordinary electrolytes. 2) The ΔT for univalent aliphatic alcohols at low concentrations is generally positive; that for tert-butyl alcohol is the largest. The ΔT is likely to become high as the number of carbon atoms and the degree of branching in alkyl radicals increase. 3) The elevation of the temperature of the maximum density due to the interaction of alcohol and water, ΔT′, depends upon the weakness of the cohesion of alcohol and the strength of the hydration of the hydrophilic molecules. 4) As the concentration of alcohol increases, there occurs a lowering of ΔT as a result of interaction between the solute molecules themselves. Similar interactions are seen between different alcohol mol.
Residence Time Distribution in Mixed-Flow Grain Dryers

Unfavorable design of mixed-flow dryers can affect broad residence time distributions, causing nonuniform drying. To simulate particle movement, a two-dimensional model based on the discrete element method (DEM) was developed using the commercial software Particle Flow Code PFC-2D (Itasca Consulting Group, Inc., Minneapolis, MN). The residence time analysis was employed to detect flow inhomogeneities and design deficits. The influences of structural parameters were considered by evaluating particle velocity and residence time distributions. Model validation in a semi-technical test dryer revealed that the 2D DEM model is very successful in predicting the particle flow patterns, so that it can be used to improve the dryer design.
DETERMINATION OF SERUM B12 VITAMIN AND FOLIC ACID LEVELS IN PATIENT WITH STROKE

Homocyst(e)ine refers to the sulfur-containing amino acids homocysteine, homocystine and homocysteine-cystine mixed disulfide, which is normally exist in plasma in the both free and protein bound forms (3). B12, folic acid replace as a cofactor B6 and coenzyme in homocysteine metabolism (16). Homocysteine can be metabolised by two pathway, either catabolised by the transulfuration pathway to cysteine or remetyllated to methionine mainly by the folate and vitamin B12 dependent enzyme methionine synthase (7). Both these vitamins occupy a key position in the remethylation and synthesis of S-adenosylmethionine (SAMe). Deficiency in either of these vitamin lead to decrease in SAMe and increase in homocysteine. Therefore, while hyperhomocysteinemia increase the risk of stroke, it is unlikely to be a primary initiating factor (4,13). It has been found an inverse relationship between the status of the relevant B vitamins and homocysteine blood concentration. Supplementation of these vitamin results in a significant reduction of the homocysteine level. Nutritive amounts seem to be significant to obtain this reduction, even in the case of elevated homocysteine levels (9,14). Plasma homocysteine concentrations are increased in carotid artery diseases, lucunar stroke and also in hemorrhagic or embolic strokes (12). Folate deficiency is frequently observed in elderly people, smokers, alcoholics and oral contraceptive users (1). Total homocysteine concentration of approximately 15-40 % of patients with coroner insufficiency, cerebral, peripheral arterial diseases were found highly (2). A linear coefficient suggested a stroke risk increase by 6% to 7% for every 1-μmol/L increase in total homocysteine (17). Hyperhomocysteineamia is frequently present in cases of stroke is independent of other stroke risk factors or the type of stroke, and is partly related to renal function and the concentrations of homocysteine metabolism (8,10). A number of investigations support the theory that the decreased vitamin B12 and folic acid levels are associated with stroke. This study was done to examine whether decreased vitamin B12 and folic acid concentrations in patient with stroke.
Shaped-controlled synthesis of porous NiCo2O4 with 1-3 dimensional hierarchical nanostructures for high-performance supercapacitors

Nickel/cobalt-based precursors (NCP) with 1-3 dimensional (1-3D) nanostructures were synthesized via a facile hydrothermal method. The as-prepared NCP were then transformed into porous NiCo2O4 materials by calcination at 300 °C in air for 3 hours. The morphologies of the calcined samples retained a porous texture after calcination, where various 1-3D hierarchical nanostructures, including 2D nanobelts, interconnected 2D nanosheets forming a 3D structure, 1D nanoneedles assembled into chestnuts and 3D nanosponges, were formed. The as-derived structures were then evaluated as electrode materials for supercapacitors in virtue of their high surface areas (99–134 m2 g−1). The results show that these porous NiCo2O4 materials exhibited promising pseudo-capacitance with good cycling performance. The nanosponge sample registered the highest specific capacitance of 832 F g−1 at a CV scan rate of 1 mV s−1 due to its unique structure and highest surface area.
Metastable eutectic, gas to solid, condensation in the FeO–Fe2O3–SiO2 system

Non-equilibrium gas to solid condensation produced three distinct groupings of ferrosilica solids with compositions ∽15, 30 and 87.5 wt. % FeO (or, ∽17, 33 and 97 wt.% Fe2O3). These solid compositions define metastable eutectic points in the FeO/Fe2O3–SiO2 binary system. The position of a silica-rich metastable eutectic is sensitive to the ratio FeO:Fe2O3 during gas-to-solid quenching. The Fe-rich metastable eutectic indicates a two-liquid field in this revised pseudo-binary equilibrium phase diagram.
Crop Residue Effects on Calcium, Magnesium, Potassium, and Sodium Runoff Losses from a Soil Prone to Crusting

In Galicia (northwestern Spain), cultivated soils developed on schists from the Ordenes series are susceptible to surface degradation, mostly when soil organic content decreases. Therefore, management systems that protect the soil and increase its organic-matter content should also improve its quality. However, tillage practices may cause crusting. Degraded soil surface conditions favor surface runoff, thus enhancing nutrient losses. This study examined the effect of applying crop residues to the soil surface on the basic cation nutrient [calcium (Ca), magnesium (Mg), potassium (K), and sodium (Na)] losses by runoff from a tilled soil with relatively low organic-matter content. Runoff and sediment yield were measured on 1-m2 plots using a rainfall simulator with constant 65 mm h−1 intensity. Four successive rainfall applications were performed, the first three at 25 mm each and the last at 65 mm. Added corn straw varied between 0 and 4 t ha−1 in the five treatments studied. Total and dissolved concentrations of the elements studied showed a tendency to decrease due to the effect of corn straw on soil losses. After 140 mm cumulative rainfall, total nutrient losses were as follows: Ca from 12.32 to 28.94 mg L−1, Mg from 20.81 to 148.90 mg L−1, K from 14.20 to 35.17 mg L−1, and Na from 14.99 to 23.41 mg L−1. The relative contribution of the dissolved fraction to the total nutrient content loss was highly variable, being up to 90% for Na. The results confirm that corn residues applied to a degraded soil, with low structural stability, prevent cation nutrient losses.
Recovery of Polyvinyl Alcohol from Desizing Wastewater Using a Novel High‐Shear Ultrafiltration Module

Polyvinyl alcohol (PVA), the major constituent of desizing water constituting 45% of the total BOD load has a significant environmental impact owing to its poor biodegradability. In order to prevent PVA from being discharged by the effluent stream, modern textile industries opt for membrane based separation techniques using ultrafiltration so that the recovery and recycle of PVA in tandem could be achieved. However, the process of ultrafiltration is still not widely accepted as expected due to the well-known non-idealities of concentration polarization and pore blockage. In this article, design and performance characterization of a lab-scale novel shear enhanced ultrafiltration unit, named as spinning basket membrane (SBM) module are discussed. The proposed module is unique in terms of its inbuilt cleaning facility eliminating the effects of polarization and subsequent periodic fouling leading to its uninterrupted production operation. The test fluid, necessarily a solution of PVA was treated in the proposed module under different parametric conditions with polyvinylidene fluoride (PVDF) membranes of two different molecular weight cut-off (50 and 100 kDa). After 2 h of continuous operation the permeate flux was observed to be within 95–97% of the respective initial fluxes. Such performance is rarely been attained in practice. Hence, the novelty of the present research is achieved. Considering the performance of the present module in terms of flux regeneration and product recovery, it may be regarded as an efficient device and can be potentially deployed for cleaning of other industrial wastewater.
Dendritic Growth of Hard-Sphere Crystals

Recent observations of the disorder−order transition for colloidal hard spheres under microgravity revealed dendritic crystallites roughly 1−2 mm in size for samples in the coexistence region of the phase diagram. Order of magnitude estimates rationalize the absence of large or dendritic crystals under normal gravity and their stability to annealing in microgravity. A linear stability analysis of the Ackerson and Schatzel model for crystallization of hard spheres establishes the domain of instability for diffusion-limited growth at small supersaturations. The relationship between hard sphere and molecular crystal growth is established and exploited to relate the predicted linear instability to the well-developed dendrites observed.
Oxidation of Benzoins to Benzils with Chromium Trioxide Under Viscous Conditions

Abstract An efficient and selective oxidation of benzoins into corresponding benzils using chromium trioxide under viscous conditions at room temperature is described. The present oxidations are completed within 2 h with the yield of 86–96%. It can overcome the problems of the common solvent-free reactions, in which it is difficult for the solid molecular collision to react.
Effect of molecular weight on the mechanical and electrical properties of block copolymer electrolytes

The relationship between ionic conductivity, morphology, and rheological properties of polystyrene-block-poly(ethylene oxide) copolymers (SEO) doped with a lithium salt, Li[N(SO2CF3)2], is elucidated. We focus on lamellar samples with poly(ethylene oxide) (PEO) volume fractions, φ, ranging from 0.38 to 0.55, and PEO block molecular weights, MPEO, ranging from 16 to 98 kg/mol. The low-frequency storage modulus (G‘) at 90 °C increases with increasing MPEO from about 4 × 105 to 5 × 107 Pa. Surprisingly, the conductivity of the SEO/salt mixtures with the molar ratio of Li to ethylene oxide moieties of 0.02 σ, also increases with increasing MPEO, from 6.2 × 10-5 to 3.6 × 10-4 S/cm at 90 °C. We compare σ with the conductivity of pure PEO/salt mixtures, σPEO, and find that σ/[φσPEO] of our highest molecular weight sample is close to 0.67, the theoretical upper limit for transport through randomly oriented lamellar grains.
Topological transformations performed on nets via their quotient graphs

Abstract Topological transformations in nets resulting from the insertion or deletion of edges or vertices are analyzed through the analogous operations performed on their quotient graphs. The role of strong rings and cages of the net is emphasized. It is shown that closed trails of the oriented quotient graph define the topology of 3-periodic nets derived from regular, vertex and edge transitive, 4-periodic minimal nets.
Influence of process parameters on extraction equilibria for the chiral separation of amines and amino‐alcohols with a chiral crown ether

Reactive extraction is studied as a promising chiral separation technique for commercial production scale. For chiral separation of amines and amino alcohols, a chiral crown ether was identified as a versatile enantioselective extractant. In this paper, the influence of various process conditions on the extraction performance is studied experimentally, and a predictive model is constructed based on the chemical and physical equilibria. It was found that the operational selectivity in one extraction step is mainly determined by the complexation constants between crown ether and enantiomers (which are dependent on solvent and temperature) and by the extractant concentration, whereas the distribution ratio is also strongly influenced by the pH. The model gives an excellent prediction of the operational selectivity and a good explanation for the system's responses to changes in process conditions. The model can be used as a basis for a multistage equilibrium extractor model and for conceptual process design. Under optimal process conditions, an operational selectivity >1.5 was obtained for five out of seven model compounds, with satisfying distribution ratios (D ~ 1-10).
Fraccionamiento térmico de aceite de pollo

Properties of chicken oil industrially obtained in Uruguay are studied. Dry fractionation of neutralized and degummed chicken oil is carried out at laboratory employing two different temperature programmes. The oleine obtained at the final temperature of 13°C (yield of 79.2%), remains clear at 0°C during 20 minutes, and the one obtained at 9°C (yield of 76.3%) during 240 minutes. The latter could be used as a substitute of neatsfoot oil. Melting points of stearines vary from 39.5°C to 41.5°C. Therefore, and given their composition, they could be used in food industry.
The chemistry and kinetic behavior of Cu‐Cr‐As/B wood preservatives. I. Fixation of chromium on wood

The kinetic behavior of CrO3 in its reaction with wood has been elucidated. Various reactions take place between CrO3 and the lignin and cellulose in wood. CrO3 reacts with cellulose in a two-step reaction: the first step is an adsorption of CrVI onto the cellulose to form CrVI/cellulose activated complexes. The second step is a CrVI → CrIII reduction taking place on the cellulose surface. The CrIII formed is only physically adsorbed to the cellulose or very weakly bound as small amounts of CrIII can be released into the reaction medium. The CrVI adsorbed by cellulose appears mainly to be reduced to CrIII. The reaction of CrVI with lignin has been shown to be the composition of the three successive reaction of Cr2O72−, HCrO4−, and CrO42− with the guaiacyl units of lignin. Insoluble and stable CrVI/lignin complexes in which chromium maintains its hexavalent oxidation state are formed. Rate constants and energies of activation for all the reactions have been determined. The fixation of CrO3-derived compounds on wood has been explained as the combination of the various reactions investigated. The results indicate that 60% of Cr is fixed irreversibly to the lignin of wood as CrVI and 40% is weakly bound, probably just precipitated, on the cellulose surface as CrIII of which small amounts can be released in a water medium. The complex CrVI and CrIII species forming complexes with the guaiacyl units have been identified.
Kinetic study of adsorption of some biocompounds at the oil/water interface

The adsorption kinetics of some local anesthetics, like dibucaine and tetracaine, and of stearic acid from bulk solutions at the oil/water interface was studied by using the pendent drop and ring methods. The anesthetics were dissolved in aqueous solutions (pH 2), and the fatty acid was dissolved in benzene, each biocompound at several different concentrations in bulk solutions. Kinetic equations for Langmuir mechanism of adsorption at oil/water interface were tested. The kinetic analysis shows that Langmuir kinetic approach describes the dynamic interfacial pressures within the limits of the experimental errors over a wide range of time and for different surfactant concentrations in bulk solutions. It is also concluded that this approach allows the calculation of the ratio of the adsorption and desorption rate constants of these biocompounds at the oil/water interface. Obtained results are in substantial agreement with earlier reported data for the surfactant adsorption as, well as with their molecular structure.
IMPROVING SEED GERMINATION AND GREEN POD YIELD IN OKRA (HIBISCUS ESCULENTUS L.) USING CALCIUM CARBIDE—A NEW SOURCE OF ETHYLENE

The ability to sense and respond to physical stimuli is of key importance to all living things. Among the common environmental stimuli detected by living organisms are light, temperature, and a variety of chemical signals. A number of these stimuli appear to be closely related and can be considered as physico-mechanical stimuli. Plant hormones like ethylene have a definite role in plant growth stages from seed germination to senescence and death of plants. Calcium carbide, a solid material, has been proven in recent years to be a new source of this hormone. Calcium carbide absorbs moisture from soil and releases acetylene gas which by the microbial activities are converted to plant hormone ethylene. The role of calcium carbide was studied, especially the effects of this material during the seed germination stage. Under closed conditions this material was applied to okra seeds and its physico-chemical changes in seed during germination were observed. It was concluded from the experiment that calcium carbide has a definite role in okra seed germination as there was early germination and root formation observed in treated seeds with a callus formation on the roots of germinating seeds which developed in to secondary roots in very short time as compare to control in the same period. It was also observed that in treated okra plants, early flowering and fruit formation was initiated which contributed about 27% green pod yield increase in okra.
Essential oil Composition and in vitro Antibacterial Activity of Rhizome Essential Oil and β-Asarone from Acorus calamus L. Collected from Lower Himalayan Region of Utarakhand

Abstract The essential oil of Acorus calamus L. (Araceae) was analyzed by GC and GC-MS while the major compound was confirmed by NMR spectroscopy. The oil was found to be rich in phenylpropanoids which contribute over 82 % of the total oil. The major compounds identified were Z-β-asarone (74.8 %) and E-β-asarone (5.6 %) besides other mono and sesquiterpenoids. The in vitro antibacterial activity of essential oil and the isolated β-asarone were individually tested against pathogenic bacteria including three gram negative bacteria viz. Pasteurella multicoda, Escherichia coli and Salmonella enterica and one gram positive bacteria viz. Staphylococcus aureus. Both the oil and β-asarone showed in vitro antibacterial activity. The plant A.calamus containing β-asarone has been found to have tranquillizing and antibiotic activity, but is also potentially toxic and carcinogenic. The object of the present study on the composition of essential oil of A. calamus was to check the chemotypes devoiding of β-asarone or contain very little amount of it as reported in European A. calamus.
Liquid Chromatographic Determination of Ochratoxin A in Pure and Adulterated Soluble Coffee Using an Immunoaffinity Column Cleanup Procedure

An immunoaffinity column/HPLC procedure was developed to quantify low levels of ochratoxin A (OTA) in green coffee beans, roasted coffee beans, and soluble (instant) coffee with greater than 80% recoveries. The method was used to survey 116 soluble coffee samples from various countries and different manufacturers and showed contamination levels ranging from “not detectable” to 15.9 μg/kg. The highest levels of OTA were detected among soluble coffees that had been adulterated with coffee husks and/or coffee parchments (mean contamination level: 5.9 μg/kg). By comparison, OTA concentrations in pure soluble coffee samples were significantly lower, with a mean contamination level of 1.1 μg/kg. Although higher than normal figures have been found in some products purchased in East European countries, the results of this survey indicate that pure soluble coffee is not a major source of OTA in the diet, with estimated intakes being well within safety limits. Keywords: Ochratoxin A; soluble coffee; analysis; HPLC.
One-pot odorless thia-Michael reaction by copper ferrite nanoparticle-catalyzed reaction of elemental sulfur, aryl halides and electron-deficient alkenes

In this article we report a non-odorous protocol for the high yield formation of aryl–alkyl sulfides by the reaction of aryl iodides, bromides and boronic acids with elemental sulfur and electron-deficient alkenes, catalyzed by copper ferrite nanoparticles. The catalyst was easily separated using an external magnetic bar and recycled for subsequent runs, its catalytic activity being preserved.
GC–MS, GC–O and enantio–GC investigation of the essential oil of Tarchonanthus camphoratus L.

The volatile fraction of Tarchonanthus camphoratus L. has been studied by means of gas chromatography–mass spectrometry (GC–MS) and GC–FID, leading to the determination of 90 components whose major were α-pinene (14.7 g/100 g), eucalyptol (14.8 g/100 g) and fenchyl alcohol (12.2 g/100 g). Gas chromatography–olfactometry (GC–O) has been applied to the evaluation of the olfactive notes and their intensity. Also, the enantiomeric distribution of some relevant constituents has been assessed by enantio-GC through the use of a chiral cyclodextrin-based stationary phase. Copyright © 2008 John Wiley & Sons, Ltd.