Miracle-dz/UniFAR-FTUs huggingface dataset:
A quantum ergodic theory approach to unimolecular fragmentation

Projection operator techniques are used to separate the complete Hilbert space of a molecular system into parts corresponding to bound and continuum states. The equation of motion of the amplitude associated with an initial excitation of the molecule is then formulated; this equation of motion contains memory effects. Although formally exact, its utility lies in the approximations suggested by its structure. Drawing on recent studies of intramolecular relaxation, a Markovian approximation is formulated and the properties of the model so defined investigated by numerical solution. The decay rate for the model is found to depend strongly upon the nature of the initial excitation, and to correlate with the ergodicity or lack of ergodicity of the initial excitation. When the prepared state is nonergodic, or nearly so, there is a delay in the decay of the molecule. When the state initially prepared is ergodic, there is no such delay. Intermediate cases are also found. It is argued that the formal analysis perm.
ANALYSIS OF FACTORS INFLUENCING MOBILITY AND ADSORPTION IN THE FLOW OF POLYMER SOLUTION THROUGH POROUS MEDIA.

The rheological behavior of the flow of polymer solution through porous media could be Newtonian at low flow rates, pseudoplastic at intermediate flow rates, and dilatant at high flow rates. The pseudoplastic behavior is modeled with the Blake-Kozeny model for power law model fluids. The dilatant behavior is modeled with the viscoelastic properties of the polymer solution. The reduction in permeability is postulated to be due to a trapped or adsorbed layer of polymer molecules that either plugs or reduces the effective size of the pores. A dimensionless number has been formulated to correlate the permeability reduction factor withthe polymer, brine, and rock properties. This dimensionless number represents the ratio of the size of the polymer molecular coil to an effective pore radius of the porous medium. A model has been developed to represent adsorption as a function of polymer, brine, and rock properties. The model assumes that the polymer is absorbed on the surface of the porous medium as a monolayer of molecular coils that have a segment density only slightly greater than the molecular coil in dilute solution. (25 refs.)
Electrospun PLA/PCL fibers with tubular nanoclay: morphological and structural analysis

Biodegradable polymers are good candidates for a wide range of applications in tissue engineering and drug delivery because of their biocompatibility, their degradation, mechanical properties, and offer a sustained release of encapsulated drugs. The electrospun polymer nanofibrous materials can be used as carriers for hydrophobic and hydrophilic drugs. This research work focused on poly(lactic acid) (PLA) and blends of PLA with poly (e-caprolactone) (PCL) that are reinforced with different concentrations of halloysite nanotubes (HNTs) and various cosolvents for electrospinning including chloroform : acetone, chloroform : methanol, and dichloromethane (DCM) : N,N, dimethylformamide (DFM). The fibers produced from the DCM : DMF system without HNTs were more uniform resulting in smaller fiber diameters as compared to the chloroform: methanol system due to the increased solution conductivity. The addition of HNT nanoparticles produced electrospun fibers with large diameters because the viscosity of the solution increased. Cosolvent was important in determining fiber diameters because it strongly influenced the solution viscosity and conductivity. HNTs had relatively small impact on the growth of a crystalline morphology in PCL–HNT composites. The solvent mixture of chloroform : methanol was better for PLA-based systems since PLA was found to have slightly higher crystallinity and larger enthalpy value indicating the improved structural orderness in the PLA polymer matrix. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Nitrous Oxide Emissions from Manure and Inorganic Fertilizers Applied to Spring Barley

Nitrous oxide emissions from soil amended with untreated liquid manure (slurry), anaerobically digested slurry, or inorganic fertilizers (calcium ammonium nitrate or urea) were quantified in a field study covering two growth seasons of spring barley (Hordeum vulgare L.). In the first year incorporation before seeding was compared with trail hose application 5 wk after seeding. In the second year all fertilizers were applied before seeding, while soil moisture and initial NO 3 - availability was varied. Accumulated N 2 O losses between the time of fertilization and ca. 1 July represented 0.14 to 0.35% of total N in 1996 and 0.34 to 0.64% in 1997. In both years the highest N 2 O emissions were observed with untreated slurry, whereas digested slurry and inorganic fertilizers were at a similar level. Increasing the soil moisture content or NO 3 - availability had no significant effect on accumulated N 2 O losses. Although metabolizable C may thus have stimulated N 2 O emissions via denitrification from untreated slurry, the largest contribution to N 2 O fluxes probably came from nitrification with all fertilizer types. Using the IPCC guidelines it was estimated that anaerobic digestion of slurry per se could potentially reduce N 2 O emissions from Danish agriculture by 1.2 to 2.5%.
The study of optimum operating conditions of extruded snack food with tomato powder

Tomatoes are an integral part of diets worldwide. Many population studies have established a link between dietary intake of tomato, a major source of a carotenoid antioxidant, lycopene, and reduced risk of chronic diseases. Response surface methodology was used to analyze the effect of screw speed (X 1 ), moisture content (X 2 ) and tomato powder content (X 3 ) on the objective attributes (radial expansion ratio [Y 1 ], bulk density [Y 2 ], degree of gelatinization [DG], water absorption index [WAI] and hardness [Y 5 ]) of an extruded snack food with tomato powder. A Box-Behnken design was used to develop models for the objective responses. The experiments were performed at 100C with the following: feed rate, 19.2 kg/h; X 1 , 250 rpm; and die diameter, 3.98 mm. Individual contour plots of the different responses were overlaid. Regions meeting 3.22 optimum Y 1 , 0.13-g/cm Y 2 , 81.25% DG, 5.12-g gel/g dry weight WAI and 35.43-N Y 5 were identified at 12.5 and 25% X 2 and X 3 , respectively.
Mg-rich phase equilibria of Mg–Mn–Zn alloys analyzed by computational thermochemistry

Abstract The phase equilibria of Mg-rich Mg–Mn–Zn alloys are scrutinized on the basis of computational thermochemistry. The experimentally well-established facts are very well reproduced by the present calculation. The important invariant reaction involving Mg-solid solution is calculated to be a transition type reaction L+(Mg)↔αMn+Mg51Mn20 at 340.18°C. Some aspects that were incorrectly interpreted in early experimental works are pointed out and are explained by the present calculations also involving non-equilibrium effects.
Spontaneous Emergence of Cl- Anions from NaCl(100) at Low Relative Humidity

The emergence of Cl- ions from the surface of alkali halide salts at low relative humidity (RH) is predicted by density functional theory (DFT) calculations and supported by contact potential measurements. We find from DFT that, in the presence of water at the regime of one monolayer coverage on the (100) cleavage plane of NaCl, Cl- ions are displaced at very low energetic cost from their crystal lattice positions toward the plane of water molecules. Starting from plausible low-temperature layered structures, we use total energy DFT to calculate the energy cost to bring Cl- ions to the height of the water layer. We show the importance of the screening of the electrostatic interactions by the water layer in order to explain our findings and to determine the value of the surface dipole as a function of the chloride position. The theoretical surface dipole is used to estimate the concentration of raised Cl- ions at the surface. As dissolved chloride ions are the reactive component of the sea salt aerosols at.
Solubility of Bis(benzoxazolyl-2-methyl) Sulfide in Different Pure Solvents and Ethanol + Water Binary Mixtures between (273.25 and 325.25) K

The solubilities of bis(benzoxazolyl-2-methyl) sulfide in ethanol, 1-butanol, 2-propanol, chlorobenzene, toluene, o-xylene, and ethanol + water were measured by a synthetic method. The laser monitoring observation technique was used to determine the disappearance of the solid phase in the solid + liquid mixture. All data were measured in the temperature range from (273.25 to 325.25) K at atmosphere pressure. The effect of solvent composition and temperature on the solubility was discussed. For all solvents studied, the data are well fitted with a semiempirical Apelblat equation.
Pyrolysis GC/MS, present and future (recent past and present needs)*

This article examines several recent advances in pyrolysis gas chromatography/mass spectrometry (Py-GC/MS). Selected aspects in the field are exemplified using original results. Only the pyrolysis component of Py-GC/MS is discussed, the GC/MS component being beyond the purposes of this article. New techniques used in Py-GC/MS are reviewed in the first part. The results obtained using an original technique, pyrolysis-SPME-GC/MS, are presented for cellulose. Also, the use of an internal standard in analytical pyrolysis is discussed. Regarding theoretical aspects of analytical pyrolysis, it is shown that the heating rate of most commercially available pyrolyzers is high enough for performing isothermal pyrolysis of polymers. One other aspect exemplified with original results is the preservation of certain stereochemical features from the parent compound to the pyrolytic fragments. Only one area regarding recent applications of Py-GC/MS is discussed in more detail, namely the analysis in pyrolysates of trace components related to health and environmental issues. The subject is exemplified with original work in analysis of polycyclic aromatic hydrocarbons and heterocyclic amines in pyrolysates. © 2001 John Wiley & Sons, Inc. J Micro Sep 13: 102–125, 2001
Leaf Chlorophyll Readings as an Indicator for Spinach Yield and Nutritional Quality with Different Nitrogen Fertilizer Applications

ABSTRACT The objective of this study was to investigate the possibility of predicting the concentrations of total nitrogen (N), nitrate-nitrogen, and ascorbic acid in spinach (Spinacia oleracea) leaves using the pocket chlorophyll meter SPAD-502 (Minolta, Japan) in a pot experiment in a greenhouse. Spinach plants were grown in plastic pots filled with 0.5 kg of brown soil per pot with urea as N fertilizer at 0, 30, 60, 120, and 240 mg N/kg soil. SPAD readings of the two uppermost fully expanded leaves were recorded 18, 25, and 32 d after sowing and at harvesting (34 d). Dry-matter biomass and total N concentrations in leaves and roots, and NO3-N, and ascorbic acid concentrations in leaves, were measured after harvesting. SPAD readings showed continuous reduction with increasing growth period irrespective of N applications. SPAD readings at harvest were significantly correlated with total N, leaf dry weight (DW), and NO3-N concentration. However, this correlation did not exist between SPAD readings and ascorbic acid concentrations in leaves. The above results suggest that it is possible to apply SPAD readings to estimate NO3-N concentrations in spinach plants, and that they may be applied for field assessments in decision-making and operational nutrient-management programs for the plant. Furthermore, the SPAD method may also be useful for ascertaining the harvest time. The results suggest that treatment with 120 mg N/kg significantly improved both leaf yields and leaf quality (i.e., leaf nitrate-N concentration and ascorbic acid). Too little and too much N fertilizer was not good for yield or spinach quality.
EFFECT OF SOME ALGAL SPECIES ON THE SNAIL INTERMEDIATE HOSTS OF SCHISTOSOMIASIS IN EGYPT II. GROWTH, INFECTION AND MORTALITY RATES

This investigation was carried out using isolates of four algal species. Three cyanobacteria (Lyngbya perelegans, Oscillatoria accuminata and Phormidium valderianum) and one green alga (Spirogyra sp.) collected from Kafr Hakem (+ snails) and Sadek canals (- snails) in Giza Governorate, in addition to Nostoc muscorum obtained from Theodor Bilharz Research Institute (TBRI). Snails were fed separately on fresh algal species, on a combination of two species and on a mixture of the five algal species, during twenty weeks (5 months) and lettuce was used as control. Growth rate of snails (shell diameter and height), infection rate and mortality percentage were recorded weekly during the experimental time. Biomphalaria alexandrina and Bulinus truncatus snails fed on separate algal species, sublethal concentration of Phormidium valderianum (LC0) and lettuce demonstrated the highest growth rates, while the lowest rate was recorded in Spirogyra sp. Using mixed food of two algal species, the maximum rate of snail growth was observed in snails fed on the LC0 of Phormidium valderianum + Spirogyra sp, followed by those fed on Oscillatoria accuminata + Spirogyra sp. Snails fed on a mixture of all algal species exhibited the maximum growth rate. The highest rate of infection and lowest percentage of mortality were recorded in both snail species fed on lettuce (59% & 19% for B. alexandrina and 77.3% & 10.7% for B. truncatus, respectively). The minimum rate of infection and maximum percentage of mortality were observed in snails fed on Spirogyra sp. The nutritional value of the algal species and lettuce, using Carbon to Nitrogen ratio (C/N ratio), were analyzed and discussed on the light of the obtained results.
HYDROXAMATE-BRIDGED DINUCLEAR NICKEL COMPLEXES AS MODELS FOR UREASE INHIBITION

Facile reaction of the model urease complex [Ni2(OAc)3(urea)(tmen)2][OTf] (A) with acetohydroxamic acid (AHA) gives the monobridged hydroxamate complex (I) [Ni2(OAc)2(AA)(urea)(tmen)2][OTf] with a Ni−Ni distance of 3.434(1) A compared to that of 3.5 A in urease (OAc, CH3COO-; tmen, N,N,N‘,N‘-tetramethylethylenediamine; OTf, CF3SO3; AHA, acetohydroxamic acid; AA, acetohydroxamate anion). I is a close model of one proposed mode of urease inhibition by hydroxamic acids, recently observed in the acetohydroxamate-inhibited C319A variant of Klebsiella aerogenes urease. Reaction of [Ni2(OH2)(OAc)4(tmen)2] (B) with AHA gives the dibridged hydroxamate complex (II) [Ni2(OAc)(AA)2(tmen)2][OAc] with a Ni−Ni distance of 3.005(1) A. Infrared spectroscopic studies provide evidence for the bridging acetate groups undergoing carboxylate shifts thereby assisting replacement of acetate by hydroxamate. Both I and II show ferromagnetic exchange coupling.
Survey and Population Density of Land Snails under Different Conditions atQalubiaandSharkia Governorates

The aim of this research is study the survey and effect soil components on population density and distribution of land snails in Kafr Al-Gammal and Kafer Hamza villages (Qalubia Governorate), and Sunhot and Adleya villages (Sharkia Governorate). Survey studies revealed that four species of land snails , Monacha cartusiana, Eobaina vermiculata , Succinea putris and Cochlicella acuta were found in the two governorates. All species were found in Adleya and Kafr Al- Gammal villages, while the two species, M. cartusiana and S. Putris , were found in Kafr Hamza village, whereas, M. cartusiana only was found in Sunhot village. These findings indicated that the population density of land snails differed from one locality to another. The highest population was recorded in Adleya village, while M. cartusiana was the most predominant species. On the other hand, soil analysis showed that the population density of land snails were high in loam soil, especially M. cartusiana, followed by sandy loam but the population density of E. vermiculata was high in sandy loam. In addition the low population density of land snails was in silty loam. On the other hand, the chemical analysis of soil showed that the number of snails increased with the increase of calcium, while decreased with high values of pH and EC (Electrical conductivity) in soil.
The Influence of a Ventilation on the Level of Carbon Dioxide in a Classroom at a Higher University / Wpływ Wentylacji Na Poziom Ditlenku Węgla W Pomieszczeniu Uczelni Wyższej

Abstract Carbon dioxide can affect on human mood and working conditions in closed area. Knowledge about the level of air pollutants concentration in the room, should be a guideline to design a properly working ventilation system. For years carbon dioxide, appearing during human breathing, was not taken into consideration as a factor determining the process of ventilation systems design. At present the assessment of air quality in closed rooms is performed on the basis of measurement of concentration of carbon dioxide metabolically produced by humans that can be referred to the so-called hygienic minimum, eg the upper limit of CO2 concentration equal to 1000 ppm (0.1%). Abstrakt Ditlenek węgla może znacząco wpływać na samopoczucie oraz jakość pracy osób przebywających w pomieszczeniach zamkniętych. Znajomość poziomu koncentracji zanieczyszczeń powietrza w danym pomieszczeniu powinna być wytyczną do projektowania właściwie funkcjonującego systemu wentylacyjnego. Przez wiele lat ditlenek węgla, powstający w trakcie oddychania człowieka, nie był uwzględniany jako czynnik determinujący proces projektowania systemów wentylacyjnych. Obecnie ocenę jakości powietrza w pomieszczeniach zamkniętych wykonuje się w oparciu o pomiar stężenia ditlenku węgla wytwarzanego metabolicznie przez człowieka, który można odnieść do tzw. minimum higienicznego, czyli górnej granicy stężenia CO2 równej 1000 ppm (0,1%).
Structural effects on the adsorption of alcohols on titanium dioxides

The infrared spectra of methanol, isopropanol and t-butanol adsorbed on TiO2 anatase and rutile are reported and discussed. The irreversible adsorption at room temperature is completely dissociative in all cases on rutile, while undissociatively coordinated molecules are also formed together with alkoxide groups on anatase. This shows the presence on the anatase surface of particular sites whose presence might explain the different behaviour in some surface phenomena reported in the literature of the two crystal modifications.
Highly effective methane conversion to aromatic hydrocarbons by means of microwave and rf-induced catalysis

Conversion of methane to higher hydrocarbon products, in particular, aromatic hydrocarbons has been achieved with good methane conversion and selectivity to aromatic products over heterogeneous catalysts using both high power pulsed microwave and rf energy. For example, under microwave irradiation > 85% conversion of methane and 60% selectivity to aromatics could be achieved. Cu, Ni, Fe and Al metallic materials are highly effective catalysts for the aromatization of methane via microwave heating; however, with a variety of supported catalysts the major products were C2 hydrocarbons and the conversion of methane was low. The use of sponge, wire and net forms of these metal catalysts was found advantageous in effective methane conversion. The reactions are considered to be free radical in nature and to proceed through an intermediate stage involving formation of acetylene. The influence of catalyst nature and configuration, as well as the microwave and rf irradiation parameters on the reaction efficiency and product selectivity has been examined in both batch and continuous flow conditions.
Determination of the oxidative stability of vegetable oils by Differential Scanning Calorimetry and Rancimat measurements

Samples of vegetable oils were oxidized at isothermal conditions in the cell of a Pressure Differential Scanning Calorimeter (PDSC) and in the Methrom Rancimat apparatus. The PDSC and Rancimat experiments were carried out at a temperature in the range of 90-160 °C. From resulting PDSC exotherms their times to reach the peak maximum (τ PDSC ) were determined and used for the assessment of the oxidative stability of the samples. Similarly the measured Rancimat induction times (τ Rancimat ) were used. As PDSC and Rancimat results were obtained at different temperatures the equations for temperature extrapolations of the τ PDSC and τ Rancιmat values have been proposed. Using the Arrhenius type correlation between induction times and temperature and activated complex theory the reaction rate constants, activation energies, activation enthalpies and activation entropies for oils oxidation have been calculated.
Experimental Determination of Stiffness Variation Across Growth Rings in Picea abies

Summary The radial and tangential deformations in a single growth ring of Norway spruce, which was subjected to moderate tensile loading in its radial direction, were measured by use of digital speckle photography. From the measured displacement field, the transverse coefficients of elasticity ER , ET , GRT and νTR were determined with respect to radial position in the growth ring. As a result of the abrupt change in stiffness from latewood to earlywood in the growth ring, it was possible to establish all four coefficients solely from the radial tension test. The elastic modulus ET was found to be a factor 15 larger in latewood than in earlywood, whereas the corresponding variation for ER was merely a factor 3. The measured variations were in reasonable agreement with predictions from simple two-dimensional honeycomb models of the growth ring cellular structure. The average elastic moduli of the growth ring were found to be twice as large as ER and ET measured in conventional tests on macroscale specimens, whereas the reverse was true for the shear modulus. An explanation to these differences is sought by analysing the loading conditions and deformation behaviour of macroscale specimens used in transverse stiffness testing of wood.
Technology Acceptance Model and its Scope of Application in Teaching Practices at Secondary Level

Technology Acceptance Model (TAM) was developed by Davis in 1989. Still this model is most popular to predict anyone’s technology intention to use it. So this study used TAM to find out its scope of application in Pakistani context. Secondary level education is a big milestone in any student’s learning career. To know about the use of Technology is considered important literacy skill in twenty first century, so this study aimed to explore the scope of Technology Acceptance Model in teaching practices at Pakistani secondary level institutes. The population of this study was delimited to the secondary level Public school teachers of district Gujranwala (Punjab). According to Punjab School Education Department, 4921 teachers were working in District Gujranwala; 2497male teachers and 2424 female teachers at secondary level. So 500 teachers, 250 male and 250 female were randomly selected as participants of this study. This study was descriptive research. Researcher developed a tool on the constructs of TAM. This tool was consisted of 20 statements on seven point Likert scale. Researcher observed teaching practices of participants in learning environment also. During observations some of their students were interviewed to triangulate the data. Researcher used mixed methods approach to analyze the data. This study proved that Perceived usefulness (PU) plays significant role in developing attitude towards use of technology. Previous experience and technology aversions or harmonies were influencing the perceived ease of use (PEOU) and then behavior intension (BI) to use technology. The findings of this study proved that teachers should be trained and facilitated to integrate technology in teaching learning process so teachers will be able to better perform. Moreover this study contributes to the related literature and provides new dimensions to future researches.