Miracle-dz/UniFAR-FTUs huggingface dataset:
Relación entre los usos populares de la granadilla (passiflora ligularis juss) y su composición fitoquímica

Este articulo reporta los usos populares de la Passiflora ligularis juss entre loscampesinos del departamento del Huila y los resultados preliminares sobre sucomposicion fitoquimica. En la primera etapa de esta investigacion se hizo uninventario de los usos que los agricultores hacen de distintas partes de la plantacon base en una encuesta etnobotanica realizada a 42 familias. Este conocimiento popular sirvio de punto de partida para seleccionar los analisis cualitativosbasicos que permitieran identificar la actividad biologica de esta especiecomo la marcha fitoquimica, el analisis bromatologico y el analisis de minerales.Se encontraron 26 usos populares especialmente medicinales yalimenticios. Algunos usos medicinales podrian estar relacionados con lapresencia cualitativa de compuestos hallados en la marcha fitoquimica.El empleo de la cascara de granadilla para nutricion animal se encontrojustificado por su aporte en calorias y en fibra. El estudio destaca el aportede la pulpa de la fruta como fuente de magnesio para los ninos menores deun ano. Se encontraron diferencias significativas en la composicion de lapulpa de granadilla de tres municipios debido a las condiciones agroecologicasy a la nutricion mineral a las que son sometidas las plantas.
Efeito alelopático de folhas de Solanum americanum sobre a germinação de rabanete

O objetivo deste trabalho foi investigar os efeitos alelopaticos de extratos aquosos de folhas de erva-moura ( Solanum americanum Mill.) sobre a germinacao do rabanete. Os extratos foram preparados nas concentracoes 2, 4 e 8% (m/v) e caracterizados quanto ao pH, potencial osmotico e perfil fitoquimico. Os tratamentos foram constituidos de quatro repeticoes de 25 sementes de rabanete ( Raphanus sativus ) em placas de Petri contendo duas folhas de papel germitest e 5 mL de extrato. Foram avaliados: porcentagem de germinacao (PG), velocidade de germinacao (VG), indice de velocidade de germinacao (IVG) coeficiente de uniformidade de germinacao (CUG), comprimento (radicular e da parte aerea), massa (fresca e seca) e teor de clorofila ( a , b e total). Os extratos de folhas alteraram os parâmetros PG, VG e IVG. Os extratos tambem causaram reducoes no comprimento radicular, na massa fresca e nos teores de clorofila b e total. A acao dos extratos foi desassociada do potencial osmotico e do pH, indicando atividade alelopatica. No entanto, os efeitos nao podem ser relacionados a presenca flavonoides e alcaloides, pois foram realizados apenas testes qualitativos de identificacao.
A reduced graphene oxide modified metallic cobalt composite with superior electrochemical performance for supercapacitors

In this work, a unique reduced graphene oxide modified metallic cobalt (rGO/Co) composite, in which Co nanoparticles are in situ anchored on rGO sheets, has been synthesized via a facile one pot co-precipitation approach. Such a composite exhibited an impressive performance when used in (asymmetric) supercapacitors. For comparison purposes, pure rGO and Co were also prepared and investigated. Microscopic observation techniques, nitrogen sorption analysis and electrochemical methods etc. were used to characterize the materials' properties. The physical characterizations revealed rGO/Co possessed a “particle on sheet” structure with a “point to face” electronic contact between these two components, and the size of Co was much smaller than pure Co due to the geometric confinement of rGO, as well as a larger Brunauer–Emmett–Teller (BET) surface area resulting from the structural synergistic effect for alleviating the agglomeration of each component. Remarkably, the rGO/Co composite displayed the best electrochemical performance among the three synthesized samples with a capacity as high as 882.7 F g−1 at a current density of 2 A g−1 and presented a high rate capability as well. Moreover, an asymmetric supercapacitor using rGO/Co as positive active material and activated carbon (AC) as negative active material has also been fabricated and tested in the potential window ranging between 0 and 1.6 V, which was demonstrated to be able to achieve a maximum energy density of 40.7 W h kg−1 at a power density of 1585.0 W kg−1 as well as excellent rate capability and outstanding cycling durability.
THE CHARGED DEFECT EXISTS

Abstract : The origin of gap states in chalcogenide glasses has been studied on the basis of optical spectra obtained for As2 S3 using photoluminescence, photothermal deflection, and (resonant) Raman scattering. These results combined with other observations suggest that the weak absorption tail arises from gap states below the conduction band, which are produced by As-As wrong bonds. The bond density is estimated at 1 at. %, which is much greater than that of the charged defect proposed by Mott et al. These insights imply that, not the charged defect, but the wrong bond governs electronic properties in covalent chalcogenide glasses.
Analyses and modelling of moisture desorption at different methods of mint (Mentha spicata Huds) leaves drying.

In the current study the thin-layer drying characteristics of mint leaves in four methods of traditional drying, solar drying, hot air drying and microwave drying were investigated. In each method of drying, mint leaves with two sizes of 1 and 5 cm were dried and the results were analyzed. The research was also conducted to a vision-smell test panel for assessment the quality of the samples dried at the four drying methods. The qualitative assessment was performed regarding to the dried samples color, smell, and marketing tendency. The 1 cm mint slices showed higher evaporation rate than that of 5 cm slices, so that the amount of moisture desorption at the first hour of drying process in the case of 1 cm mint slices was 6%, 7% and 6% higher than that of 5 cm slices, respectively, in traditional, solar and hot air drying methods. The results indicated that there was an acceptable marketing tendency for microwave and solar dried mint samples as compared with the two other drying methods. The drying data from the four evaluated drying methods were finally fitted to seven different mathematical models which had been previously developed by other researchers. The results showed that “Varma et al” model, “Two Term” model and “Midili et al” model were the best models to explain thin-layer drying behavior of mint leaves for traditional drying, hot air drying and solar drying methods, respectively. “Two Term” model was also found to be the best model expressing the thin-layer drying behavior of mint leaves in
High-temperature thermodynamic properties of sodium

The set of high-temperature thermodynamic properties for sodium in the two-phase and subcooled-liquid regions which was previously recommended, has been modified to incorporate recent experimental data. In particular, replacement of the previously estimated critical constants with experimentally-determined values has resulted in substantial differences in the region of the critical point. The following thermodynamic properties were determined: pressure, density, enthalpy, entropy, internal energy, compressibility (adiabatic and isothermal), thermal expansion coefficient, thermal pressure coefficient, and specific heat (constant-pressure and constant-volume). These properties were determined for the saturated liquid, saturated vapor, subcooled liquid, and superheated vapor. The superheated vapor properties are limited to low pressures and more work is required to extend them to higher pressures. The supercritical region was not investigated.
Performance Characterization of Supported Iron Nanocatalysts for Fischer-Tropsch Synthesis

This study aimed to develop oxide-supported iron-based nanocatalyst and establish the particle-size dependence of the supported iron nanocatalyst in the Fischer-Tropsch synthesis (FTS) reaction. Iron nanocatalyst was synthesized using impregnation method at 3, 6, 10, and 15 wt % on SiO2 and Al2O3-SiO2 supports. Effects of iron loadings and catalyst supports on the physicochemical properties of supported iron nanoparticles were investigated using N2 physical adsorption, temperature-programmed reduction and electron microscopy. The performance of the supported iron nanocatalysts in the Fischer-Tropsch synthesis (FTS) was studied in a fixed-bed microreactor at atmospheric pressure. The average sizes of iron nanoparticles were 5.8 ± 1.2, 8.6 ± 1.1, 12.6 ± 1.3 and 13 ± 1.2 nm for the 3, 6, 10 and 15 wt% Fe on SiO2, respectively. At lower iron loading (3 and 6 wt %) on SiO2, iron nanoparticles were more uniformly distributed compared to those at higher loadings. Using the Al2O3-SiO2 support, the average sizes of iron nanoparticles for the 3, 6, 10, and 15 wt% Fe were 6.2 ± 1.8, 10 ± 2, 14.5 ± 3.3, and 17.8 ± 5.3 nm, respectively. The 3 and 6 wt% Fe/SiO2 resulted in 60% and 54 % CO conversion, respectively at 250 o C, H2/CO = 1.5 v/v and space velocity, SV=3 L/g-Fe/h. The CO conversion decreased to 30% when Fe loading was increased to 15 wt%. The CO conversion trend correlated to the size of the iron nanoparticles. For 6 wt% Fe/SiO2, the average size of iron nanoparticles was 8.6 nm whereas at 15 wt % iron loading, the average size of the iron nanoparticles was 13 nm. As the size of iron nanoparticles increased from 8.6 nm to 13 nm, the C5+ selectivity decreased from 20% to 11% whereas the selectivity for the light hydrocarbons increased from 55 % to 77%.
QuEChERS: a sample preparation for extraction of carbaryl from rat feces

Carbamate compounds are an important group of cholinesterase inhibitors. There is a need for creating awareness regarding the risks of the inadequate carbamate use in the residential areas due to potential adverse human effects. Carbaryl is a commonly used pesticide worldwide. A simple, fast, and high-throughput method was developed employing liquid chromatography with fluorescence detector to determine carbaryl residues in rat feces. The extraction was performed by using a rapid, easy, cheap, effective, reliable, and safe (QuEChERS) method, using acetonitrile as the extracting solvent. The parameters for the performance of the extraction method were optimized, such as ratio of mass of sample per volume of extraction solvent, QuEChERS content, and cleanup columns. Linear response was obtained for all calibration curves (solvent and matrix-matched) over the established concentration range (5–500 μg/L) with a correlation coefficients higher than 0.999. The achieved recovery was 97.9% with relative standard deviation values of 1.1% (n = 4) at 167 μg/kg fortified concentration level and the limits of detection and quantification were 27.7 and 92.3 µg/kg, respectively.
Water science reviews

Preface 1. Structural studies of water by neutron diffraction J. C. Dore 2. The water dimer potential surface J. L. Finney, J. E. Quinn and J. O. Baum 3. Alcohol-water mixtures revisited F. Franks, J. E. Desnoyers.
Filogenia e Biogeografia de Leptohyphidae (insecta: Ephemeroptera)

28 Introduction.29 Material and Methods.30 Morphology and taxonomy.30 DNA sequences and genetic analyses.31 Result.34 Genetic diversity.34 Haplotype network.37 Morphology.38 Taxonomy.42 Discussion.46 Acknowledgments.48 References.49 Appendix 1.54 Supplementary Table S.59 CAPÍTULO 2: Phylogeny and Biogeography of Leptohyphidae (Ephemeroptera: Pannota). 60 Abstract.61. 6
CONVERSION OF MODIFIED MORGAN AND MEHLICH-III SOIL TESTS TO MORGAN SOIL TEST VALUES

In several states in the Northeastern U.S., the Morgan or Modified Morgan soil tests are used as the basis for both fertilizer recommendations and P runoff risk indices. However, private laboratories servicing these states typically use the Mehlich-III solution as their basic soil test extractant. To meet Natural Resources Conservation Service standards for nutrient management and to use land grant university research databases to derive recommendations, accurate conversions from Mehlich-III and Modified Morgan to Morgan are needed. A study was conducted in New York to: (i) develop models that convert Mehlich-III P, K, Ca, and Mg soil tests to Morgan equivalents; and (ii) evaluate the impact of the use of these prediction models on agronomic recommendations for corn and the New York P index. Soils from 235 locations (27 different New York soil types) were analyzed for pH, modified Morgan P, and Morgan-and Mehlich-III extractable P, K, Ca, Mg, Fe and Al. Multiple regression analysis was used to derive conversion models that fit the data. The models were validated, and the impact of their use on fertilizer recommendations was assessed using a set of >10,000 independently collected New York soil samples. Morgan and Mehlich-III extractable K, Ca, and Mg were correlated linearly with slopes approaching 1. For P, the best model fit was obtained using pH, Mehlich-III P, Ca, and Al as independent variables (r2 = 0.88). A slightly less reliable prediction was obtained without Al (r2 = 0.82). The use of Morgan equivalents did not alter the percentage of low, medium, high, and very high soils in the New York data set, nor did it affect the P index classification. Recommendations for corn derived from a database with independently collected Mehlich-III soil test data (without Al) were identical to those obtained using measured Morgan values for 57% of all samples. An additional 32% showed <10 kg P2O5 ha−1 difference. Eight percent predicted P applications that were 15–20 kg P2O5 ha−1 larger or smaller, whereas 3% showed deviations >20 P2O5 ha−1. Inclusion of Mehlich-III Al data is expected to improve the accuracy of the recommendations and assessment of the P index. We conclude that conversion equations can be used to derive accurate Morgan equivalents based on pH, Mehlich-III P, Ca, and Al, but the results need to be verified based on land use history.
Inorganic caesium lead iodide perovskite solar cells

The vast majority of perovskite solar cell research has focused on organic–inorganic lead trihalide perovskites. Herein, we present working inorganic CsPbI3 perovskite solar cells for the first time. CsPbI3 normally resides in a yellow non-perovskite phase at room temperature, but by careful processing control and development of a low-temperature phase transition route we have stabilised the material in the black perovskite phase at room temperature. As such, we have fabricated solar cell devices in a variety of architectures, with current–voltage curve measured efficiency up to 2.9% for a planar heterojunction architecture, and stabilised power conversion efficiency of 1.7%. The well-functioning planar junction devices demonstrate long-range electron and hole transport in this material. Importantly, this work identifies that the organic cation is not essential, but simply a convenience for forming lead triiodide perovskites with good photovoltaic properties. We additionally observe significant rate-dependent current–voltage hysteresis in CsPbI3 devices, despite the absence of the organic polar molecule previously thought to be a candidate for inducing hysteresis via ferroelectric polarisation. Due to its space group, CsPbI3 cannot be a ferroelectric material, and thus we can conclude that ferroelectricity is not required to explain current–voltage hysteresis in perovskite solar cells. Our report of working inorganic perovskite solar cells paves the way for further developments likely to lead to much more thermally stable perovskite solar cells and other optoelectronic devices.
Electrostatic and affinity enhancements of protein partitioning in two-phase aqueous micellar systems

This thesis was motivated by the practical need to develop a scalable and cost-effective separation method for low-cost, high-volume protein products. This unmet challenge can potentially be addressed by extraction in two-phase aqueous micellar systems, in which biomolecules can be partitioned in mild, predominantly aqueous environments. The goal of this thesis was to explore various ways of enhancing protein partitioning in two-phase aqueous micellar systems, by the incorporation of electrostatic and affinity interactions, to obtain satisfactory yield and specificity for the purification of industrially relevant hydrophilic proteins. The electrostatically-enhanced partitioning of the enzyme glucose-6-phosphate dehydrogenase (G6PD) in two-phase aqueous mixed (nonionic/cationic) micellar systems was investigated experimentally and theoretically. The successful enhancement, up to 22-fold, of the partitioning of the negatively-charged G6PD was attained by adding the positivelycharged surfactant alkyltrimethylammonium bromide (CnTAB) to form charged mixed micelles with the phase-forming nonionic surfactant, decyl tetra(ethylene oxide) (Cw0E4). The effects of the tail length of the positively-charged surfactant on protein denaturation and protein partitioning behavior were also studied. Furthermore, the experimental results were used to validate a predictive theory for electrostatic enhancement. In the area of affinity enhancement, the affinity-enhanced partitioning of an engineered affinity-tagged protein, CBM9-GFP (Green Fluorescent Protein linked to a carbohydratebinding module), in two-phase aqueous micellar systems was investigated experimentally and theoretically. The experimental results showed that the partition coefficient of the target protein, CBM9-GFP, can be improved more than 6-fold, by virtue of the affinity interactions, and that the enhancement is specific to the target protein. The system utilized requires only one surfactant, decyl -D-glucopyranoside (C1oG 1), which acts simultaneously as the affinity ligand and as the phase-forming surfactant, and as such, has important practical advantages. A novel theoretical framework to describe affinity-
Reaction mechanisms for catalytic partial oxidation systems : application to ethylene epoxidation

With the rapid advances in kinetic modeling, building elementary surface mechanisms have become vital to understand the complex chemistry for catalytic partial oxidation systems. Given that there is selected experimental knowledge on surface species and a large number of unknown thermochemical, rate parameters, the challenge is to integrate the knowledge to identify all the important species and accurately estimate the parameters to build a detailed surface mechanism. This thesis presents computational methodology for quickly calculating thermodynamically consistent temperature/coverage-dependent heats of formation, heat capacities and entropies, correction approach for improving accuracy in heats of formation predicted by composite G3based quantum chemistry methods, and detailed surface mechanism for explaining selectivity in ethylene epoxidation. Basis of the computational methodology is the Unity Bond IndexQuadratic Exponential Potential (UBI-QEP) approach, which applies quadratic exponential potential to model interaction energies between atoms and additive pairwise energies to compute total energy of an adsorbed molecule. By minimizing the total energy subject to bond order constraint, formulas for chemisorption enthalpies have been derived for surface species bound to on-top, hollow and bridge coordination sites with symmetric, asymmetric and chelating coordination structures on transition metal catalysts. The UBI-QEP theory for diatomics has been extended for polyatomic adsorbates with empirical modifications to the theory. Formulas for activation energies have been derived for generic reaction types, including simple adsorption, dissociation-recombination, and disproportionation reactions. Basis of the correction approach is the Bond Additivity Correction (BAC) procedures, which apply atomic, molecular and bondwise modifications to enthalpies of molecules predicted by G3B3 and G3MP2B3 composite quantum chemistry methods available in Gaussian® suite of programs. The new procedures have improved the accuracy of thermochemical properties for open and closed shell molecules containing various chemical moieties, multireference configurations, isomers and degrees of saturation involving elements from first 3 rows of the periodic table. The detailed mechanism explains the selectivity to ethylene oxide based on the parallel branching reactions of surface oxametallacycle to epoxide and acetaldehyde. Using Decomposition Tree Approach, surface reactions and species have been generated to develop a comprehensive mechanism for epoxidation. As a result of these developments in the thesis, chemisorption enthalpies can now
Effect of dietary boron on mineral, estrogen, and testosterone metabolism in postmenopausal women 1

A study was done to examine the effects of aluminum, magnesium, and boron on major mineral metabolism in postmenopausal women. This communication describes some of the effects of dietary boron on 12 women between the ages of 48 and 82 housed in a metabolic unit. A boron supplement of 3 mg/day markedly affected several indices of mineral metabolism of seven women consuming a low‐magnesium diet and five women consuming a diet adequate in magnesium; the women had consumed a conventional diet supplying about 0.25 mg boron/day for 119 days. Boron supplementation markedly reduced the urinary excretion of calcium and magnesium; the depression seemed more marked when dietary magnesium was low. Boron supplementation depressed the urinary excretion of phosphorus by the low‐magnesium, but not by the adequate‐magnesium, women. Boron supplementation markedly elevated the serum concentrations of 17β‐estradiol and testosterone; the elevation seemed more marked when dietary magnesium was low. Neither high dietary aluminum (1000 mg/day) nor an interaction between boron and aluminum affected the variables presented. The findings suggest that supplementation of a low‐boron diet with an amount of boron commonly found in diets high in fruits and vegetables induces changes in postmenopausal women consistent with the prevention of calcium loss and bone demineralization. — Nielsen, F. H. ; Hunt, C. D. ; Mullen, L. M. ; Hunt, J. R. Effect of dietary boron on mineral, estrogen, and testosterone metabolism in postmenopausal women. FASEB J. 1: 394‐397; 1987.
Bubble columns : Structures or stability?

The aim of the thesis is to contribute to the understanding of the hydrodynamics of the gravity driven bubbly flow that can be found in bubble columns. Special attention is paid to the large scale structures that have a strong impact on several key parameters such as the degree of mixing, mass and heat transfer. An experimental investigation has been performed in a bubble column with a needle sparger that allows for gas injection in well controlled patterns. Experimental teechniques such as Laser Doppler Anemometry (LDA) and glass fiber probes are employed, and their accuracy for application to bubbly flows is investigated and improved. Signal processing techniques are evaluated and improved, with special attention for techniques to determine turbulence power spectra for LDA signals obtained in bubbly flows. The hydrodynamics for uniform gas injection have been studied, with particular attention for the stability of the flow regime. The importance of the lift force for stability is discussed. The importance of non-uniformities in the gas injection on the flow is investigated, focusing on the behavior of both the entrance region and the bulk region. Finally, liquid velocity flucuations are studied: both the strength of the pseudo-turbulence and the turbulence power spectra are explored.