Miracle-dz/UniFAR-FTUs huggingface dataset:
Impact of Fe Content in Laboratory-Produced Soot Aerosol on its Composition, Structure, and Thermo-Chemical Properties

Soot aerosol, which is a major pollutant in the atmosphere of urban areas, often contains not only carbonaceous matter but also inorganic material. These species, for example, iron compounds, originated from impurities in fuel or lubricating oil, additives or engine wear may change the physico-chemical characteristics of soot and hence its environmental impact. We studied the change of composition, structure, and oxidation reactivity of laboratory-produced soot aerosol with varying iron content. Soot types of various iron contents were generated in a propane/air diffusion flame by adjusting the doping amount of iron pentacarbonyl Fe(CO)5 to the flame. Scanning electron microscopy (SEM)/energy-dispersive X-ray spectroscopy (EDX) was combined with cluster analysis (CA) to separate individual particles into definable groups of similar chemical composition representing the particle types in dependence of the iron content in soot. Raman microspectroscopy (RM) and infrared spectroscopy were applied for the characterization of the graphitic soot structure, hydrocarbons, and iron species. For the analysis of soot reactivity, temperature-programmed oxidation (TPO) was used. It is demonstrated that iron is most dominantly present in the form of amorphous Fe (III) oxide crystallizing to hematite α-Fe2O3 upon thermal treatment. Iron contaminations do not change the soot microstructure crucially, but Fe(CO)5 doping of the flame impacts hydrocarbon composition. Soot oxidation reactivity strongly depends on the iron content, as the temperature of maximum carbon (di)oxide emission T max follows an exponential decay with increasing iron content in soot. Based on the results of the thermo-chemical characterization of laboratory-produced internally mixed iron-containing soot, we can conclude that iron-containing combustion aerosol samples cannot be characterized unambiguously by current thermo-optical analysis protocols. Copyright 2012 American Association for Aerosol Research
Partial Oxidation of Methane in Permeable Ni Tube for Effective Hydrogen Production

Abstract To develop an effective way to produce hydrogen continuously by means of partial oxidation of natural gas methane, we experimentally studied a Ni catalytic‐permeable‐membrane‐tube reactor. When a mixture of CH4 and O2 was introduced into a Ni tube, H2 was produced by a partial oxidation reaction and permeated through the Ni‐tube reactor to separate from another product of CO. The dependence of the partial oxidation rate on the inlet CH4/O2 molar ratio, temperature, flow rate, and total pressure were determined experimentally. The rate constants of the complete oxidation reaction, the steam‐reforming one and the CO2‐reforming one were simultaneously determined at temperatures of 400 to 750°C from fitting analytical calculations to experimental ones. Although complete separation between CO and H2 was not achieved within a limited surface area in the present experiment, it was analytically proved that H2 and CO can be effectively separated in a long Ni‐tube reactor.
Triplet-triplet absorption spectra of organic molecules in condensed phases

We present a compilation of spectral parameters associated with triplet–triplet absorption of organic molecules in condensed media. The wavelengths of maximum absorbance and the corresponding extinction coefficients, where known, have been critically evaluated. Other data, for example, lifetimes, energies and energy transfer rates, relevant to the triplet states of these molecules are included by way of comments but have not been subjected to a similar scrutiny. Work in the gas phase has been omitted, as have theoretical studies. We provide an introduction to triplet state processes in solution and solids, developing the conceptual background and offering an historical perspective on the detection and measurement of triplet state absorption. Techniques employed to populate the triplet state are reviewed and the various approaches to the estimation of the extinction coefficient of triplet–triplet absorption are critically discussed. A statistical analysis of the available data is presented and recommendati.
Chemical ionization of aliphatic nitro compounds

The chemical ionization mass spectra of various aliphatic nitro compounds have been studied. Almost all the nitro compounds form stable [M+H]+ ions in sharp contrast to the instability of their ions produced by other ionization techniques. The fragmentations of the [M+H]+ ions are discussed, the mechanisms and structures of fragment ions proposed being supported by quantum mechanical calculations. Correlations between chemical ionization mass spectra and structures of compounds studied are outlined. Reliable identification of mono- and polynitroalkanes and some related derivatives may be made by analysis of their chemical ionization mass spectra.
A class of exact dynamical solutions in the elastic rod model of DNA with implications for the theory of fluctuations in the torsional motion of plasmids

New explicit solutions are obtained for the nonlinear equations of Kirchhoff’s theory of the dynamics of inextensible elastic rods without neglect of rotatory inertia. These exact solutions describe a class of motions possible in closed circular rings possessing a uniform distribution of intrinsic curvature ku and intrinsic torsion. When ku≠0, the motions in this class are such that the axial curve of the ring remains stationary while the cross sections rotate about their centers in such a way that the angle ψ of rotation is independent of axial location and is governed by the nonlinear pendulum equation. When ku=0, such uniform rotation of cross sections can occur at an arbitrary steady rate. The methods of classical equilibrium statistical mechanics yield the following conclusions for canonical ensembles of rings for which the motion is this type of pure homogeneous torsion. When 1/ku=11.85 nm (i.e., when the intrinsic curvature ku is among the highest observed in naturally occurring, approximately unif.
Modelling radiation spectrum of a discharge with two liquid non-metallic (tap-water) electrodes in air at atmospheric pressure

The emission spectra of a column of a direct-current discharge in open air which is performed between two tap-water electrodes (two tap-water flows) are studied in the 240–450 nm spectral range. A comparison of the values of spectral emissivities is made between experimental spectra and the calculated spectra. The emission spectrum calculation is made for four molecules, N2, O2, NO and OH that are present in air plasma. The first part of this paper focuses on building the spectra calculation; the required data are detailed. In the second part, rotational, vibrational and excitational temperatures are determined with the Boltzmann distribution assumed on the quantum states. For that purpose, a comparison of the modelled spectra and the experimental spectra is made in the different parts of the discharge column.
Ultrasonic Assisted Pre-Treatment Method for Enhancing Mass Transfer During the Air-Drying of Habanero Chili Pepper (Capsicum chinense)

The ultrasonic pre-treatment method was used for the purpose of reducing the time employed in air-drying of habanero chili pepper. The pre-treatment was performed by immersing the sample in distilled water and applying ultrasonic signals during 30 and 60 min with a 750-Watt ultrasonic processor (20 kHz) operated at different percentages of amplitude (A) ranging between 20 and 100%. The samples immediately underwent air-drying at 60°C in a convection oven with an air velocity of 2 ± 0.2 m/s. A mathematical model that takes into account the influence of the internal resistances to mass transport by diffusion () as well as the resistance of the membrane barrier () promoted by the wax layer of the habanero pepper was proposed to analyze the drying kinetics. The drying time following the ultrasound treatment was reduced from a 25 to a 50% compared to the results obtained in untreated samples. It was found that and were significantly influenced by the ultrasonic pre-treatment (p < 0.05). The highest drying rate was achieved in the amplitude percentage of 80 and 100% with a sonication time of 60 min.
Accumulation of nitrate in fresh soils after gamma irradiation

SUMMARY Increases in nitrate have been found in eight out of ten soils irradiated over the range 0·25–2·5 Mrad, with maximum accumulation between 0·25–0·75 Mrad. Oxidation of ammonium added to normal soils was poor at low pH, and showed a highly significant correlation with nitrate produced after 0·25 Mrad. It is suggested that radiation-released ammonium is less limiting to nitrate formation than the original population or activity of nitrifying organisms, which are favoured by alkaline conditions.
Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride

(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline with an [a] 25 D value of +47.58° in CCl 4 (c 2.83) has been synthesized and the crystal structure of its hydrochloride, C 15 H 16 N + . Cl - , determined by X-ray methods. The anomalous dispersion effect indicates that the absolute configuration is S.
Hydrogen adsorption and diffusion on Pt {111} and PtSn {111}

PtSn {111} forms two ordered surface alloys namely p(2 × 2) and (√3 × √3R30°) and such bimetallic catalysts are often used in industrially catalysed reactions, such as hydrogenations, to improve performance although the reasons behind the improvements are generally not well understood. In this study density functional theory calculations have been performed for hydrogen adsorption at various sites on Pt {111} and the ordered PtSn {111} surfaces in order to characterise the differences between the pure and doped surfaces. The structural, bonding, electronic and vibrational characteristics of each system are presented indicating that there are no significant bonding differences when adsorption occurs at platinum sites on the surface. Where adsorption occurs at a tin site on the doped surface the adsorption energy is negative or the adsorption site changes to one involving only platinum atoms. Nudged elastic band calculations were used to determine the barrier to diffusion of the hydrogen atoms on the surface. The diffusion calculations show significant differences in the mobility of hydrogen providing a possible explanation for the changes in catalytic action on tin doping of platinum.
Vibrorotational Raman and infrared spectra of polar diatomic molecules in inert solutions. I. Spectral theory

A unified non-Markovian theory for the vibrorotational Raman and infrared spectra of polar diatomic molecules diluted in nonpolar fluids is presented. From this theory, the physical basis of the spectra can be interpreted in terms of a few molecular properties of the isolated diatomic and of the time autocorrelation functions determining the collective effects of the solvent molecules on the vibrorotational dynamic of the diatomic. The spectrum is obtained as a diagonal part, constituted by an additive superposition of lines accounting for the integrated intensity, and an (exact) nondiagonal part accounting for the redistribution of intensity due to interbranch and intrabranch mixing effects. This theory generalizes previous theoretical frames based on a secular contribution modified by an (approximate) interference term. Also it allows the comparative analysis of the Raman and infrared spectra, and gives a clear and consistent interpretation of the theoretical lines building up the spectra.
Field investigations of soil hydrological properties of fen soils in North‐East Germany

To investigate the changes of hydrological properties of peat soil in course of soil development, field measurements at 84 fen sites (Histosols) in 19 fen regions of North-East Germany were carried out. Capillary water supply at all the stages of soil development was not limited up to 70 cm of ground water level. Worsening of plant water supply was the result of mud accumulation in the capillary fringe, ground water levels located deeper than 70 cm below soil surface, low hydraulic conductivity in the ground water zone, and hysteresis effects, affected by high dynamics of ground water level during the day. Felduntersuchungen bodenhydrologischer Eigenschaften von Niedermoorboden in Nordostdeutschland Bodenhydrologische Feldmessungen auf 84 Niedermoorstandorten (Histosols) aus 19 Moorgebieten Nordostdeutschlands wurden durchgefuhrt zur Analyse der Veranderung der bodenhydrologischen Eigenschaften von Niedermoorboden im Zuge der Bodenentwicklung. Bei allen Bodenentwicklungsstufen war die kapillare Wasserversorgung bei Grundwasserflurabstande kleiner als 70 cm nicht eingeschrankt. Gemindert wurde die Pflanzenwasserversorgung durch die Wirkung von Mudde in der Kapillarzone, Grundwasserflurabstanden groser als 70 cm, geringe Durchlassigkeiten im Grundwasserbereich und Hystereseffekten, verursacht durch starke Grundwasserschwankungen im Tagesverlauf.
Surface Electroclinic Effect in a Smectic-A Liquid Crystal

Polar interactions between liquid crystal molecules and cell surfaces give rise to the surface electroclinic effect. This results in rotation of the layer normal away from the alignment direction near the surface and an interfacial region where the molecular director twists from the alignment direction until it reaches the layer normal direction. We have investigated the molecular orientation within the smectic layer using linear and circular dichroism spectroscopy. Contrary to theoretical predictions, the magnitude of the surface electroclinic tilt is relatively temperature independent, while the bulk electroclinic coefficient strongly depends on temperature.
UTILIZATION FROM NEW NUTRITIONAL RESOURCES IN RUMENANT FEEDING: 1- EFFECT OF USING DRIED DISTILLERS GRAINS WITH SOLUBLES(DDGS) IN RATIONS FOR FATTENING FRIESIAN CALVES

Forty-five male Friesian calves averaging 309.86 kg live body weight (L.B.W.), were divided into three similar groups (15 in each) and used in feeding trial which lasted 172 days. Animals were assigned to receive 2% of L.B. W. concentrate feed mixture which containing dried distiller grains with solubles (DDGS) at the rate of 0%, 10% and 20% in rations A, B and C, respectively. All animals offered rice straw at the rate of 1.0% of L.B. W. , plus 2 kg berseem hay/day. In addition, three digestibility trials (3 calves in each) were conducted to determine the digestibility coefficients of all nutrients and feeding values of experimental rations. The results obtained showed significantly (P<0.05) higher digestibility coefficients and nutritive value of ration C (containing 20% DDGS) than the control ration (ration A). Average daily gains were 0.898, 0.955 and 1.110 kg for animals fed rations A, B and C, respectively. Animals given ration C grew significantly(p<0.05) higher than those given ration A or B. Significant (P<0.05) improvements were recorded for animals fed ration C with respect to feed conversion efficiency expressed as kg, DM, TDN, SE or DCP/kg gain. Results of ruminal measurements of animals fed rations B and C containing 10% and 20% DDGS showed high pH, NH3-N and VFA's concentrations. At the same time, serum blood parameters (Total protein, albumin and globulin) showed similar trend. Moreover, animals fed rations containing both 10% and 20% DDGS grew faster and had lower cost of feeding with better economical efficiencies, than the control group.
Monazite structure from dehydrated CaSeO4·2H2O

Abstract The structure of the high-temperature form of CaSeO4, formed by dehydration of the gyspum-type structure dihydrate is presented. The material is equivalent to that described previously as a P212121 form, but is however, a monazite with unit cell a = 6.85661(16) Å, b = 7.04962(15) Å, c = 6.68817(15) Å and β = 104.2675(21)º in space group P121/n1. Also presented is evidence for two intermediate trigonal and pseudo-trigonal phases related to the structurally similar minerals rhabdophane, bassanite, and γ-CaSO4. This result permits closer comparisons between intermediate-temperature structures of the selenate with related sulphates, and orthophosphates with a view to extending structural stability via synthesis of solid-solutions.
Herbage yield and chemical composition of four varieties of Napier (Pennisetum purpureum) grass harvested at three different days after planting

An experiment was conducted to assess the herbage yield and chemical composition of 4 varieties of Napier grass (Pennisetum purpureum) harvested at 3 different days after planting. The varieties tested were obtained from ILRI (formerly ILCA) were Local, 16798, 16786 and 16840 and used in a 4x3 factorial arrangement of treatments with four replicate plots each. The herbage yield of the varieties were measured at 60, 90, 120 days after planting. The herbage of the varieties were harvested and separated into leaf and stem fractions. The results indicated that, dry matter (DM) herbage yield was significantly (P<0.05) higher for variety Local (41050 kg DM/ha) and 16798 (44,994 kg DM/ha) when compared to the other varieties. Harvesting at 120 days gave a significantly (P< 0.05) higher herbage yield (46,013 kg DM/ha) with the 60 days giving the lowest (22,489 kg DM/ha). Measurement from the chemical composition for the four varieties indicated that the Local variety yielded the highest CP (96.77 g/kg DM) and cellulose (420.8g/kg DM) compared with the other varieties. Hemicellulose was highest for varieties 16798 (252.3g/kg DM) compared to the other three varieties. The ADL was lower for variety 16798 (89.0g/kg DM) compared to the other varieties. Measurement from the chemical composition for the three harvesting days indicated that the 60 days harvest gave the highest CP (109.88 g/kg DM), lowest ADL (84.13g/kg DM) and the lowest DM (478.5g/kg). The cellulose fraction was highest for the 60 days harvest (427.6g/kg DM) with 120 days harvest recording the lowest (354.6g/kg DM). The hemicellulose fraction was lowest for the 60 days and highest for the 120 days after planting. Measurement from the chemical composition for the two fractions indicates that the leaf fraction recorded a higher CP (122.24g/kg DM) and lower ADL (105.83g/kg DM) compared to the stem. The stem fraction however recorded a higher cellulose fraction (406.9g/kg DM) compared to the leaf fraction. Hemicellulose was higher for the leaf fraction (240.0g/kg DM) compared to the stem fraction. The ADL was lowest for variety 16798. The herbage yield increased with increase in days after planting. The DM, hemicellulose and ADL increased with increase in days after planting. Crude protein and cellulose for the three different days after planting however decreased with increase in days after planting. The results showed that varieties Local and 16798 had the highest CP and cellulose but lowest ADL contents. As expected, CP declined with age and NDF, ADF and ADL increased with increasing age of the grasses. Similarly, herbage yields were highest for Local and 16798 varieties. As expected, herbage yield increased but CP declined with age of the grasses. The DM for the leaf and stem fraction was almost the same. The CP and hemicellulose were higher for the leaf fraction. The cellulose and ADL were all lower for the leaf compared to the stem fraction. The results show the potential of Local and 16798 varieties as a ruminant feed in Ghana.
The structure of orthoclase

A new structural study of orthoclase has confirmed that this felspar shows a partially ordered Si, AI distribution. No final decision is reached on the true symmetry of orthoclase--whether monoclinic or an intimate intergrowth of triclinic units, but any departure from monoclinic symmetry is probably very small. The details of the structure are discussed in relation to those of sanidine and microcline, with special reference to the configuration of the tetrahedral groups, the environment of the potassium atom, and the application of the charge-balance hypothesis concerning the stability of the alkali felspars.
Actinide Carbonte Complexes and Their Importance in Actinide Environmental Chemistry

In the last decade scientists have dramatically increased their understanding of the chemistry of actinide elements with a potent emphasis on relevance to the environment. This flourishing chemistry of the 5f elements was stimulated by many factors, including inorganic chemists` interest in structural diversity, new synthetic methods, new chemical separations, and a need to understand the fate and transport properties of actinides in natural aquifer systems. The purpose of this review is to present the motivation behind environmentally important actinide carbonate research and to provide a modern reference in the area of actinide carbonate chemistry that reflects the developments and achievements in the field since Newton and Sullivan`s thorough review of actinide carbonate solution chemistry. 234 refs.
Public Service Motivation and Performance Behavior in Saudi Public Sector: The Role of Subjective Fits

Public Service Motivation (PSM) research has expanded tremendously since the publication of Perry and Wise’s (1990) seminal work on motivational bases of public service(Ritz, Brewer, & Neumann, 2016). One of the reasons for this is that, originating in public administration and management, PSM has demonstrated great potential in improving public service and public employee outcomes. Conceptually, PSM is recognized as a particular form of intrinsic motivation that leads to enjoying activities of helping others by focusing on the meaning, significance, and purpose of tasks (Perry et al., 2010; Petrovsky & Ritz, 2014). It has also been linked to higher organizational commitment (Gould-Williams et al., 2013; Leisink & Steijn, 2008; Park & Rainey, 2007), stronger job satisfaction (Cerase & Farinella, 2009; Kaipeng et al., 2014; Taylor, 2014) and lower turnover intentions (Campbell et al., 2014; Park & Rainey, 2007; Steijn, 2008). Accordingly, PSM could be an essential tool of human resource management to promote both individual and organizational performance. Attracting and retaining employees with higher PSM levels is expected to improve performance because such employees are better motivated, work harder, collaborate better, and go beyond simple call of duty (Bellé, 2013;Mostafa et al., 2015; Van Loon et al., 2018; Vandenabeele, 2009).
Element Inputs by Litterfall to the Soil in Pine Forest Ecosystems

Within the framework of the litterfall chemistry subprogram of the integrated monitoring program, litterfall was collected, and the concentrations of Ca, Mg, K, Pb, and Zn were measured during 1999–2003 at the Taurene and Rucava monitoring stations in Latvia. The results showed that at Rucava there was higher production of litterfall than at Taurene due to a higher tree density. The mean annual litterfall was 3630.42 kg/ha−1 in Rucava and 3022.11 kg/ha−1 in Taurene, with maximum production in autumn at both sites. The litterfall production among the catchments varied seasonally because length of growing period, composition of tree species, and density of snow cover. The higher Ca, Mg, and K concentrations in Taurene were due to greater birch litter contributions and soil chemical properties. The higher Pb and Zn concentrations in the Rucava IM catchment can be explained by the influence of long distance transboundary air pollution and local sources. The chemical element concentrations showed seasonal vari.