Miracle-dz/UniFAR-FTUs huggingface dataset:
Statistical Analysis of Past Catalytic Data on Oxidative Methane Coupling for New Insights into the Composition of High‐Performance Catalysts

A database consisting of 1870 data sets on catalyst compositions and their performances in the oxidative coupling of methane was compiled. For this goal, about 1000 full‐text references from the last 30 years have been analyzed and about 420 of them, which contained all the necessary information, were selected for the data extraction. The accumulated data were subject to statistical analysis: analysis of variance, correlation analysis, and decision tree. On the basis of the results, 18 catalytic key elements were selected from originally 68 elements. All oxides of the selected elements, which positively affect the selectivity to C2 products, show strong basicity. Analysis of binary and ternary interactions between the selected key elements shows that high‐performance catalysts are mainly based on Mg and La oxides. Alkali (Cs, Na) and alkaline‐earth (Sr, Ba) metals used as dopants increase the selectivity of the host oxides, whereas dopants such as Mn, W, and the Cl anion have positive effects on the catalyst activity. The maximal C2 selectivities for the proposed catalyst compositions range from 72 to 82 %, and the respective C2 yields range from 16 to 26 %.
Quality Characteristics of Freeze-Dried Salmon Baby Food Purees During Storage

Five combinations of baby food (puree; puree + pink salmon roe; puree + bone; puree + salmon oil; puree + oil + bone) were formulated from retort-processed sockeye (red) salmon puree base, freeze-dried; then evaluated for color, odor, ability to rehydrate, and storage stability. Baby food was retort-processed, freeze-dried, vacuum-packaged, then stored at 22°C for 4 months. Rehydration was best for the puree only (71.7%), about 53% for puree + roe and puree + oil, and about 48.5% for that containing puree + oil + bone. Adding roe to freeze-dried salmon baby food puree increased fishy, rancid, metallic, and sweaty odor; and lightened and decreased redness, yellowness, and visual color intensity. Adding salmon oil increased salmon odor slightly, yellowness, and visual color intensity and decreased color saturation during storage. Adding salmon bone decreased salmon odor and true red color and increased rancid and buttery odor intensities, yellowness, and visual color intensity. Increasing hue angle indicates that the product is becoming less red. Adding salmon oil and bone together increased salmon, fishy, rancid, and sweaty odor intensities and reduced true red color and visual color intensity. Retort-processed, freeze-dried salmon baby food puree with no added roe, oil, and/or bone had and retained the most intense red color throughout the storage period. These data suggest that salmon puree alone consistently produced the highest quality retort-processed, freeze-dried product.
Aqueous foam stabilized by polyoxyethylene dodecyl ether

Foaming properties of aqueous solutions of the nonionic surfactant polyoxyethylene dodecyl ether (C12EOn) were studied at 298 K. Four different EO chain lengths, namely C12EO3, C12EO5, C12EO7, and C12EO9, were considered. The foams obtained from C12EO3 or C12EO5 were extraordinary stable retaining a constant volume for more than 20 h. The presence of lamellar liquid crystalline phases was mainly responsible for the super-stable aqueous foams.
Radical chain reactions in pyrolytic cleavage of the ether linkages of lignin model dimers and a trimer

Abstract β-Ether-type dimers, [1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol and 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol], and an α,β-diether-type trimer [1-(4-(3,4-dimethoxybenzyloxy)-3-methoxyphenyl) -2- (2-methoxyphenoxy) -1-propanol] were pyrolyzed in a closed ampoule reactor (N2/250–400°C/2 min). 1-Phenylpropenes (Cα=Cβ) and 1-phenylpropanones (Cα=O) were obtained as the major β-ether-cleaved products. Radical chain mechanisms are proposed in which hydrogen abstraction at the phenolic O-H and Cα-Hs occurs, respectively. The former reaction which gives rise to three radical species was much more effective than the latter. As the effective reaction increases the radical concentration, cleavage of the β-ether linkage in the phenolic dimer is achieved at a much lower temperature (260°C) than that of the non-phenolic type (360°C). Radical chain reactions are initiated in the case of the trimer with a weak Cα-O bond at lower temperature (320°C) than those of the non-phenolic (methylated) dimer, since homolysis of the Cα-O bond produces the phenoxy type dimer and 3,4-dimethoxybenzyl radicals as initiators. However, some of the dimer phenoxyl radical was stabilized by H-abstraction (to form dimer) or by recombination with a 3,4-dimethoxybenzyl radical (to form C-benzylated products) so that the chain depolymerization via quinone methide intermediate was suppressed.
Impact of Sulfur and Ammonium Sulfate on Dragonhead Plants Grown in Newly Reclaimed Soil

To determine whether dragonhead (Dracocephalum moldavica L.) could be grown successfully in arid and semiarid conditions, field experiments were done in newly reclaimed soil at Nubaria, Behira Province, west of the Nile Delta. The plants were treated with agricultural sulfur (0, 150, and 300 kg S/ha) and ammonium sulfate (0, 100, and 200 kg N/ha) using a drip irrigation system. In general, the sulfur and nitrogen treatments increased herb and essential oil yields and changed the level of secondary metabolites in dragonhead plants. Highest oil yields were obtained with agricultural sulfur at 150 kg S/ha combined with ammonium sulfate at 200 kg N/ha. The highest concentrations of geraniol in the essential oil was from plants in plots treated with agricultural sulfur at 150 and 300 kg S/ha. Ammonium sulfate at 100 kg N/ha increased the relative concentration of neral, geranyl acetate, and geraniol.
Estudo comparativo da matéria orgânica de diferentes classes de solos de altitude do sul do Brasil por técnicas convencionais e espectroscópicas

Soils in the region of Campos de Cima da Serra, RS, have high organic matter contents (SOM) and high levels of exchangeable Al. This study aimed to investigate the SOM quality of surface samples (0-10 cm) of eight representative soils from the region (two Neossols, two Gleissols, three Cambissols, one Latosol) under native pasture. The objectives were to evaluate the sample behaviour under demineralization with HF solution, to determine the chemical composition and the influence of exchangeable Al and iron oxides on it. The SOM was concentrated with 10 % (v/v) HF solution and then submitted to elemental analysis, FTIR and 13C NMR CP/MAS spectroscopy. The recovered mass after HF treatment (5.8 to 10 %) was correlated with the soil C content, while the recovered C (47 to 86 %) was inversely correlated with the Fe oxide content. This result indicates that part of the SOM in these soils is associated to these minerals. The proportion of total C O-alkyl groups was high (52 to 59 %) and the values for the I1630/I2920 index (FTIR) were low, evidencing a low humification and decomposition degree of SOM in these soils.
Heat Stability and Quality Characteristics of Postpartum Buffalo Milk

Study was carried out to evaluate the heat stability and quality characteristics of buffalo colostrum during its transition to normal milk. A total of 140 postpartum milk samples of 20 buffaloes (in seven postpartum milking) were collected to observe the heat stability at boiling temperature during transition period. Gradual change (coagulation/precipitation) was observed up to sixth postpartum milking when heated at boiling temperature. The heat stability of first postpartum milk was < 5.5 min and gradually increased in consequent milking i.e. second (< 8.75min), third (< 15 min), fourth (< 20.25), fifth (< 24 min) and sixth (< 30min). No coagulation/precipitation was occurred in 7th postpartum milk heated for 1h at boiling temperature. Average acidity, specific gravity and viscosity of first postpartum milk was 0.39 ± 0.01%, 1.061 ± 0.001 and 6.80 ± 0.05cP, respectively and significantly declined to 0.26 ± 0.004%, 1.037 ± 0.0002 and 1.64 ± 0.01cP, respectively in sixth postpartum milk. Average pH value of colostrum was 6.30 and significantly inclined to 6.46 in sixth postpartum milk. TS, SNF, total protein, casein, ash and chloride contents of colostrum averaged 28.52 ± 0.33%, 23.08 ± 0.31%, 18.75 ± 0.30%, 5.06 ± 0.31%, 1.64 ± 0.04% and 0.20 ± 0.01%, respectively and significantly declined to 17.63 ± 0.18%, 11.75 ± 0.16%, 6.90 ± 0.12%, 4.16 ± 0.10%, 0.89 ± 0.004% and 0.121 ± 0.002%, respectively in sixth postpartum milk. Fat and lactose content of colostrum after initiation of lactation were 5.41 ± 0.21% and 2.70 ± 0.05%, which significantly increased to 5.88 ± 0.95% and 3.97 ± 0.08%, respectively in sixth postpartum milk.
The interaction of humic acids from Tasmanian Podzolic soils with minerals and the properties of their metal humates

The humic acids from podzolic soils of north-western and western Tasmania have the general chemical and optical properties of the group as described in the literature. They do not correspond closely to the humic acids of the classical Northern Hemisphere podzol in that they have higher C : H ratios and lower optical densities. In addition they provide a far higher proportion of the total humic substances than do the humic acids of the classical podzol. All samples of humic acids extracted from the Tasmanian soils exhibit very strong solvent activity towards minerals, particularly those of economic deposits. For example, 50 ml of a 500 mg/ solution of the humic acids from soil developed under white topped stringybark (Eucalyptus delegatensis) and bracken fern (Pteridium aquilinum), extracted 2 500 pg of lead from 7.6 g of 0.3 to 0.6 mm diameter grains of galena in 24 hours. Even gold is soluble in solutions of humic acids and it is likely that the formation of gold humates is the important mechanism of transport of this metal in wet temperature climates. The aggressive action of humic acids towards minerals in the experimental studies, leaves no doubt as to their potential in weathering. Since the minerals of economic deposits are highly vulnerable, the rapid degradation of sulphides and secondary minerals may explain the poor development of gossans over mineralisation in Tasmania during the current erosional cycle. The activity of humic acids presents a problem in geochemical prospecting since secondary dispersion patterns may be weakened or obliterated. The mechanism of the interaction of humic acids with minerals and cations has been investigated by means of pH measurements, potentiometric titration, polarography, x-ray diffraction, electrophoresis and infra-red spectroscopy. All these indicate that complexation is an important mechanism of reaction. Polarographic studies also suggest that the most probable value for the standard reduction potential of humic acids is about 0.7V. Reaction kinetic studies of several of the rapid reactions between humic acids and minerals indicate that the reactions involved are of first order. The simple organic compounds of soils, such as amino acids for example, are no more active in mineral degradation than are humic acids. In view of the low concentration and rapid bacterial utilisation of these compounds their contribution to weathering must be limited. Waters enriched in CO2 also appear less efficient as solvents than humic acids, since on the basis of equivalent carbon contents the latter are far more effective. From an extremely conservative estimate, it appears that some 150 000 tonnes of humic substances flow to the sea from an aggregate catchment of about 20 000 km 2 in western Tasmania every year. Thus these substances have both the power and quantity to play an important role in the wet temperate weathering cycle.
SOIL ORGANIC MATTER—THE NEXT 75 YEARS

Part I of this paper presents an account of what we know at this time about SOM (soil organic matter). It deals with the distribution and functions in soils of SOM, descriptions of methods of extraction and fractionation, and chemistry of the major components. These include carbohydrates, nitrogenous compounds, organic P and S compounds, and last but not least, humic substances. The latter are discussed in greater detail in terms of analytical characteristics, chemical structure, free radical content, colloid-chemical characteristics, physiological effects, uses, and interactions with metals, clay minerals, and organics (especially pesticides). The second part of this paper focuses on the laboratory of the future and the agenda for the next 75 years. There will be major changes in laboratory procedures from wet chemical to sophisticated instrumental methods, using solid-state samples. Gaps in our knowledge of major SOM components and their interactions with metals, clays, and organics will be filled. Because SOM serves as soil conditioner, nutrient source, substrate for microbial activity, preserver of the environment, and major determinant for sustaining or increasing agricultural productivity, SOM chemists are bound to play an important role in the soil science of the future.
Characterization of mechanochemically synthesized lead selenide

Mechanochemical synthesis of lead selenide PbSe nanocrystals was performed by high-energy milling of lead and selenium powders in a planetary ball mill. The structure properties of synthesized lead selenide were characterized by XRD analysis that confirmed crystalline nature of PbSe nanocrystals. Calculated average size of PbSe crystallites was 37 nm. The methods of particle size distribution analysis, specific surface area measurement, SEM and TEM were used for the characterization of surface and morphology of PbSe nanocrystals. SEM analysis revealed agglomerates of PbSe particles. However, HRTEM analysis confirmed perfect stoichiometric PbSe cubes with NaCl structure as well. UV-VIS-NIR spectrophotometry was used to confirm the blue shift of the small particles occurring in the powder product obtained by the mechanochemical synthesis.
Long-Term Wheat Residue Management and Supplementary Nutrient Input Effects on Phosphorus Fractions and Adsorption Behavior in a Vertisol

The management of crop residues coupled with external nutrient inputs is important for improving and conserving soil fertility and productivity. We assessed the long-term effects of three wheat residue management options (RMO) (residue burning, incorporation, and surface retention) in combination with three supplementary nutrient inputs (SNI) [control, fertilizer, and farmyard manure (FYM)] on phosphorus (P) fractions and adsorption behavior of a Vertisol under soybean–wheat system. Wheat residue incorporation and retention improved the labile inorganic P [sodium bicarbonate (NaHCO3-Pi)] by 3.2 and 5.0 mg kg−1 and the labile organic P (NaHCO3-Po) by 2.4 and 4.2 mg kg−1, respectively, as compared to residue burning. The soils under residue incorporation and retention had 38 and 26% more moderately labile organic P [sodium hydroxide (NaOH-Po)], respectively, than the soil under residue burning. The SNI either as fertilizer or FYM further enhanced NaHCO3-Pi, NaHCO3-Po, and NaOH-Po. In contrast, less labile P fractions [hydrochloric acid (HCl)-P and residual-P] remained unaffected by RMO and SNI treatments. Residue retention or incorporation decreased P adsorption over the residue burning for all the three nutrient inputs. The P-adsorption data fitted well to the Langmuir equation (R2 ranged from 0.970 to 0.994). The P-adsorption maximum (b), bonding energy constant (k), differential P-buffering capacity (DPBC), and standard P requirement (SPR) were lower with residue incorporation or surface retention than with residue burning. The SPR followed the order residue burning > incorporation > retention for RMOs and control > fertilizer > FYM for SNI treatments. The NaHCO3-Pi, NaHCO3-P0, and NaOH-Po had negative correlation with P-adsorption parameters and showed positive correlation with soybean P uptake. Wheat residue incorporation or retention plus FYM could be an effective strategy for enhancing the P fertility of Vertisols under a soybean–wheat system.
Surfactant-free synthesis of pure anatase TiO2 nanorods suitable for dye-sensitized solar cells

A non-aqueous, solvothermal method was applied to the synthesis of TiO2 nanorods in pure anatase crystal phase using Ti(IV)-isopropoxide. The use of benzyl alcohol as both solvent and reactant was investigated in combination with the addition of acetic acid to the reaction mixture. Various values of the AcOH : Ti(OiPr)4 molar ratio were realized in the synthesis and tested in order to obtain a significant dimensional and morphological control over the resulting TiO2 nanostructures, as well as to devise a simple and scalable synthetic protocol. On the basis of the experimental results, a substantially modified version of the well-established “benzyl alcohol route” was then designed and developed. X-ray diffractometry and transmission electron microscopy revealed that monodisperse anatase nanorods having a length of about 13–17 nm and a diameter of 5 nm can be obtained when AcOH and Ti(OiPr)4 are reacted in comparable proportions. Investigation of the characteristic parameters of dye-sensitized solar cells fabricated using the synthesized nanorods as photoanode revealed a power conversion efficiency of about 7.5% corresponding to an improvement of 28% with respect to a commercial spheroidal nanotitania (P25) based reference device.
Metric geometry of equilibrium thermodynamics. V. Aspects of heterogeneous equilibrium

The general analysis of phase equilibrium in heterogeneous systems is considered from an abstract geometric point of view. Particular attention is drawn to the thermodynamic ’’invariants’’ (or ’’symmetries’’), which arise as null eigenvectors of the thermodynamic metric matrix and can be associated with variations which leave the thermodynamic state unchanged. The analysis of these invariants leads to conditions connecting the thermodynamic field vectors, including Gibbs–Duhem relations, Clausius–Clapeyron equations, Gibbs–Konowalow laws, and systematic generalizations thereof.
Variation in polyphenol oxidase activity and quality characteristics among hard white wheat and hard red winter wheat samples

ABSTRACT Polyphenol oxidase (PPO) has been related to an undesirable brown discoloration of wheat-based end products. Consumer acceptance and product quality are generally decreased by the darkening phenomena. Two sets of wheat samples (Triticum aestivum L.) were investigated for variation in grain and flour PPO levels. Samples included 40 advanced experimental hard white winter wheat lines grown at two Kansas locations and 10 hard red winter wheat genotypes grown at three Nebraska locations. The variability in grain and flour PPO activities was influenced by growing location and population for the hard white wheat samples. There also was a significant influence of population by growing location interactions on PPO activity in both grain and flour. Genotype and growing location both contributed to variability in flour PPO activity among the hard red wheat samples. The variation in flour PPO activities among growing locations appeared larger than variation produced by genotypes tested for the hard red whea.
Phosphorus Loss in Drainflow from Intensively Managed Grassland Soils

The loss of P in subsurface drainage from lysimeters (0.5 ha), managed as either monoculture grass or grass-clover for the last 9 yr have been quantified. Both systems received two to three cattle slurry applications annually and were cut two to three times before being grazed by dairy cattle. Mineral fertilizer-P was applied only to the grass-clover (about 25 kg P ha -1 yr -1 ). After 9 yr, NaHCO 3 -soluble P in the topsoil (0-10 cm) averaged 38 and 47 mg P kg -1 for the grass and grass-clover respectively, giving an average increase of 1.0 mg Olsen-P kg -1 yr -1 in the grass-clover. Drainage-weighted molybdate-reactive phosphorus (MRP) and total phosphorus (TP) concentrations ranged from 0.16 to 0.38 mg P L -1 and 0.45 to 0.79 mg P L -1 , respectively during the 2-yr study period. The MRP and TP losses in subsurface-flow from the grass-clover (1.68-2.03 and 3.47-5.03 kg P ha -1 yr 1 , respectively) were significantly larger than those from the grass (1.27-1.34 and 2.97-3.58 kg P ha -1 yr -1 , respectively). Averaged across years and pastures, MRP accounted for 42% of the TP loss, while a non-MRP form accounted for 41% of the TP loss through field drains. Particulate-associated P represented about 17% of the TP loss. The P losses in subsurface runoff measured in the present study were much larger than previous estimates. The results also showed that, despite the subsoil having much larger P-sorption capacity than the topsoil, significant amounts of P losses could occur through preferential hydrological pathways.
A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

This paper discusses how LDF is used to calculate the geometry and vibrational frequencies of several molecular transition metal compounds with the calculations being done with polarized double-zeta numerical and gaussian basis sets and the geometries obtained by analytic gradient methods. Most results have good agreement as compared to Hartree-Fock results, but LDF predicting bonds too short. 52 refs., 6 tabs.
The effect of corporate governance and firm characteristics on earnings management practice among Nigerian companies

Earnings management has become an avenue for the managers to report determined corporate performance which later led to the collapse of the corporations. Corporate governance mechanisms instituted to control the managers’ opportunistic action which reduces agency cost of the firms. The present study investigates the relationship between the board of directors, audit committee and firm characteristics and earnings management practice in Nigerian listed companies. The study also investigates the earnings management practice in the pre- and post-Corporate Governance Code 2011 periods. The study argues that interaction of institutional ownership between audit committee and earnings management practice mitigates opportunistic behaviors of managers. The study measured the effectiveness of the revised Nigerian Corporate Governance Code 2011 mechanisms which came into effect in 2011. Data were gathered from 405 non-financial company-year observations drawn from the population of Nigerian listed companies for the period of 2009-2013. With reference to the agency theory, political cost theory and ethical theory, the present study finds that the revised Corporate Governance Code 2011 has a significant effect in reducing the level of earnings management practice in the post Corporate Governance Code 2011 period; corporate governance mechanisms significantly reduce earnings management practice; and institutional ownership interaction effect in the audit committee is significantly more active in reducing earnings management. Based on the findings, the study suggests that for future policy effective corporate governance is required to mitigate earnings management activities. The regulators need to encourage participation of institutional ownership in the board of public listed companies.