Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of Silica Nanoparticles on Rheological Properties and Gelation Temperature of Biodegradable Polymer Gels

The discovery of new potent and insoluble drugs has emphasized the need for personalized dosages and novel drug-delivery systems. The use of biodegradable polymers is a good alternative to form films in which a solid active pharmaceutical ingredient is suspended. In the processing of films, the rheology and gelation of biodegradable polymers are of particular interest. This work presents the rheological study and gelation kinetics of solid nanoparticle dispersions in aqueous gelatin solutions. Silica nanoparticles where used as surrogate particles in this study. Silica dispersions of up to 5.0 wt% in the specified biopolymer where prepared from a commercial LUDOX silica dispersion. The thermotropic gelation (T gel) was experimentally determined by rheological measurements on a Reologica StressTech HR stress controlled rheometer. Particle loadings below 0.5 wt% did not have an effect on the thermotropic gelation temperature of a 10 wt% gelatin solution.
Probabilistic Stacked Denoising Autoencoder for Power System Transient Stability Prediction With Wind Farms

To address the uncertainties of renewable energy and loads in transient stability assessment with credible contingencies, this letter proposes a stacked denoising autoencoder (SDAE)-based probabilistic prediction method. The correlations among wind farms have been effectively considered through the variable transformation via the Cholesky decomposition. SDAE allows learning the mapping relationship between operational features and the transient stability margin. The possible operation scenarios are sampled under different confidence levels to generate appropriate inputs for SDAE to assess the probabilistic transient stability distribution. Results on the modified IEEE 39-bus system show that our proposed method can achieve a similar level of accuracy as the benchmark and improved Monte Carlo simulations-based methods while having much higher computational efficiency.
PTFE−Polystyrene Core−Shell Nanospheres and Nanocomposites

PTFE latexes with particles in the submicrometer size range were employed as seeds in the emulsifier-free styrene emulsion polymerization to obtain PTFE−polystyrene (PS) core−shell nanospheres. Stable latexes were generally obtained. Neither residual PTFE nor secondary nucleation was observed, thus leading to PTFE−PS core−shell latexes. By appropriately choosing the ratio between the styrene monomer and the PTFE seed in the reaction mixture, it is possible to obtain spheres with predetermined sizes and narrow size distribution. In all cases, a slightly hemispherical morphology was observed. Peculiar effects related to the high degree of segregation of PTFE cores and their small size, and possibly to the PTFE/PS interface, were observed.
Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups

This contribution reviews the recent advances to estimate the potential energy surfaces through algebraic methods based on the unitary groups used to describe the molecular vibrational degrees of freedom. The basic idea is to introduce the unitary group approach in the context of the traditional approach, where the Hamiltonian is expanded in terms of coordinates and momenta. In the presentation of this paper, several representative molecular systems that permit to illustrate both the different algebraic approaches as well as the usual problems encountered in the vibrational description in terms of internal coordinates are presented. Methods based on coherent states are also discussed.
Reactions of Acetylene in Superbasic Media

The results of studies of fundamentally new reactions of acetylene and its substituted derivatives in media of very high basicity are surveyed. They lead to hitherto unknown or relatively inaccessible monomers, reagents, and intermediates: 2-vinyloxybuta-1,3-diene, pyrroles, and N-vinylpyrroles, divinyl sulphide, divinyl telluride, 4-methylene-1,3-oxathiolan, di(buta-1,3-dienyl)sulphide, dihydrothiophen, 1-vinyl-2-thiabicyclo[3,2,0]hept-3-ene, etc. The most important properties of superbasic media consisting of an alkali metal hydroxide and a dipolar aprotic solvent as well as the probable mechanisms of their activating effect on anions and the triple bond are examined. An attempt is made to analyse these reactions in terms of coordination catalysis by alkali metal cations. The bibliography includes 199 references.
Xylan sorption kinetics at industrial conditions Part 1. Experimental results

Abstract The sorption kinetics for birch black liquor xylan onto unbleached softwood kraft fibers at industrial relevant process conditions was investigated. The impact of process conditions on total sorption and rate was studied. It was found that an unbleached fiber can increase its weight up to 40% by sorption of xylan if process conditions are favorable and sufficient xylan is present in the liquor. A decrease in pH, an increase in temperature and an increase in ionic strength enhances both the initial sorption rate and the maximum sorption, as expected from the literature. Moreover, an increased xylan charge from 5 to 10 g/l increased sorption by about 20-30% on average. At the highest temperature tested some deviations from the expected results were obtained, which indicates that more than one mechanism affect sorption. Analysis of the surface carbohydrate composition suggests that xylan is preferably sorbed on the fiber surfaces. This is especially obvious at higher sorption temperatures. SEM pictographs of the cellulose fibers indicate that xylan sorbs as single xylan chains at 87 and 127°C. In contrast, at 167°C globular structures are observed on the fibers, which probably is due to precipitation of globular xylan aggregates from the liquor.
Weathering of Asphalts as Characterized by Infrared Multiple Internal Reflection Spectra

Identification and prediction of durability and weathering properties of paving asphalts are problems faced by highway material engineers. Correlation between accelerated laboratory durability tests and asphalt field performance is established on four asphalts. Double beam multiple internal reflection spectra are obtained for both laboratory-aged and field samples up to 48 months. Rheological properties and chemical analyses are also made. The kinetic model for weathering is found to be Δy = T/(a + bT) where Δy is the property change, T is the weathering time, and a and b are constants. Weathering of asphalts is characterized by changes in absorption at wavelengths of 5.88 µm and is correlated with chemical changes and aging index defined by viscosity change.
A Validated RP-HPLC Method for Simultaneous Estimation of Atenolol and Indapamide in Pharmaceutical Formulations

A simple, fast, precise, selective and accurate RP-HPLC method was developed and validated for the simultaneous determination of atenolol and indapamide from bulk and formulations. Chromatographic separation was achieved isocratically on a Waters C18 column (250×4.6 mm, 5 µ particle size) using a mobile phase, methanol and water (adjusted to pH 2.7 with 1% orthophosphoric acid) in the ratio of 80:20. The flow rate was 1 mL/min and effluent was detected at 230 nm. The retention time of atenolol and indapamide were 1.766 min and 3.407 min. respectively. Linearity was observed in the concentration range of 12.5-150 µg/mL for atenolol and 0.625-7.5 µg/mL for indapamide. Percent recoveries obtained for both the drugs were 99.74-100.06% and 98.65-99.98% respectively. The method was validated according to the ICH guidelines with respect to specificity, linearity, accuracy, precision and robustness. The method developed can be used for the routine analysis of atenolol and indapamide from their combined dosage form.
Metal–organic frameworks and their derived nanostructures for electrochemical energy storage and conversion

Metal–organic frameworks (MOFs) have received a lot of attention because of their diverse structures, tunable properties and multiple applications such as gas storage, catalysis and magnetism. Recently, there has been a rapidly growing interest in developing MOF-based materials for electrochemical energy storage. MOFs have proved to be particularly suitable for electrochemical applications because of their tunable chemical composition that can be designed at the molecular level and their highly porous framework in which fast mass transportation of the related species is favorable. In this review, the recent progress in fabricating MOFs and MOF-derived nanostructures for electrochemical applications is presented. The review starts with an introduction of the principles and strategies for designing targeted MOFs followed by a discussion of some novel MOF-derived structures and their potential applications in electrochemical energy storage and conversion. Finally, major challenges in electrochemical energy storage are highlighted and prospective solutions from current progress in MOF-based nanostructure research are given.
EVALUATION OF ANTIOXIDANT, ANTIRADICALIC AND ANTIMICROBIAL ACTIVITIES OF OLIVE PITS (Olea eur Opaea L.)

CELIK, H. , H. NADAROGLU and M. SENOL, 2014. Evaluation of antioxidant, antiradicalic and antimicrobial activities of olive pits (Olea europaea L.): 1392-1400 The antioxidant and radical scavenging properties of olive pits (Olea europaea L.) were investigated through the following analyses in this study: The total antioxidant activity by the ferric thiocyanate method; 2,2’-azino-bis-(3-ethylbenzothiazole-6sulphonate) (ABTS) radical scavenging activity; superoxide anion radical (O 2 - ) scavenging activity; the total reduction power by the potassium ferricyanide reduction method; Cupric ions (Cu 2+ )reduction capacity by the Cuprac method; hydrogen peroxide scavenging activity and chelating activity of ferrous ions (Fe 2+ ). Besides, the total phenolic and flavonoid contents of the olive pits (OP) were determined. In addition, α-tocopherol, butylatedhydroxyanisole (BHA) and quercetin were used as reference antioxidant compounds. OP-aqueous and OP-ethanol extractsboth exhibited the highest phenol (OP-AE:95.3; OP-EE: 144.3 μg GAE mg -1 extract) and flavonoid (OP-AE: 183.7; OP-EE:262.4μg QE mg -1 extract) contents, and displayed the highest antioxidant activity. In addition, OP-AE and OP-EE exhibited higher antibacterial activity against eleven bacteria with Minimum Inhibitory Concentrations (MIC) values, ranging from 12.50 to 250 mu l/mL.
Differentiation of post harvest date fruit varieties non-destructively using FT-NIR spectroscopy

Summary The world production of dates has more than doubled over the last two decades. Presently, the industrial sorting of dates is a difficult operation, affected by a high level of losses. As a consequence, the objective of this article is to study the variety discrimination capabilities of Fourier Transform-Near Infrared (FT-NIR) reflectance spectroscopy for post-harvest sorting purposes. The same methodology was tested on six commercial date varieties named Estamaran, Kabkab, Mazafati, Piarom, Deglet nour and Zahedi. For each cultivar, 100 fruits were analysed using the FT-NIR spectrometer, subsequently characterised by destructive measurements. A multivariate analysis of the FT-NIR spectra appears a feasible tool for cultivar discrimination and even to estimate the soluble solid content (SSC) and dry matter (DM) of dates at their optimal harvesting conditions. FT-NIR, as a non-destructive techniques, could be a suitable way for on-line screening of different dates varieties.
Solid-State 13C NMR Study of Chiral Twisted Conformation Attributable to Chirality in Smectic Phases of Achiral Banana-Shaped Molecules

Solid-state 13C NMR measurements were made for the B2 and B4 phases of the achiral banana-shaped molecule, P-14-O-PIMB, which exhibits a direct transformation from the B2 phase to the B4 phase. In both phases, an NMR resonance signal assigned to carbonyl carbons of the ester linkages appears as doublet peaks, showing that the two carbonyl carbons are circumstanced in different electronic environments on the NMR time scale. The chemical shifts of the two peaks are 165.6 and 163.9 ppm in the B2 phase, and these values are not changed in the transformation to the low-temperature B4 phase. To explain this distinct splitting of the carbonyl carbon signal, we take three assumptions into account: (1) the molecules are accommodated in the unique phase, but the conformational exchange between two states takes place slowly; (2) the two side wings of each molecule experience fast interconformational jumps, but their “average conformer” is different, thus giving two different peaks in the spectra; and (3) the indivi.
Molecular analysis of the crystallization behavior of poly(aryl‐ether‐ether‐ketone)

The crystallization behavior, via annealing, of PEEK was investigated using FTIR spectroscopy. It was found that predominantly amorphous PEEK (e.g., quenched polymer) follows two distinct mechanisms when it is annealed. One is a lower energy relaxation process that involves the partial rotation of the ether linkages, allowing the molecular chains in the disordered phase to become better packed, and occurs from 50 to 140°C (slightly below Tg). This relaxation process is also observed by dynamic mechanical analyses. The other process is a crystallization that takes place above the glass transition, with its onset characterized by the rotation of the benzophenone linkages near Tg. Isothermal crystallization kinetics data on PEEK can be described by an Avrami equation with an Avrami constant n of about 1.
Aplicação de vinhaça na cultura da cana-de-açúcar: Efeito no solo e na produtividade de colmos

No Brasil, o setor sucroalcooleiro esta em expansao tendo, como consequencia, a geracao de residuos e/ou subprodutos, entre eles a vinhaca. As usinas tem utilizado a vinhaca em areas agricolas, atraves da fertirrigacao. O objetivo deste trabalho foi analisar o efeito da aplicacao de vinhaca em alguns atributos quimicos do solo e na produtividade de colmos de cana, pelo periodo de tres anos. O ensaio foi conduzido em solo classificado como Neossolo Quartzarenico ortico localizado em Campo Grande, MS, de novembro de 2008 a setembro de 2011. As parcelas experimentais foram de 4,2 x 10,0 m (42 m2) e os tratamentos constituidos por doses de vinhaca (0, 100, 200, 400 e 800 m3 ha-1), distribuidos no campo em delineamento em blocos ao acaso, com quatro repeticoes. A vinhaca foi obtida de usina de alcool da regiao e aplicada em rebrota de canas (1a, 2a e 3a socas). Nos resultados observou-se que a vinhaca utilizada proporcionou um incremento na produtividade da cana-de-acucar e aumento nos valores de pH e nos teores de potassio trocaveis no solo, ate a profundidade de 0,4 m.
Synthesis of long ZrTiO4 fibers by a sol–gel process free of organic components

Long ZrTiO4 fibers have been synthesized through a sol–gel process using titanium sulfate and zirconium oxychloride octahydrate as starting materials without any organic component. In this system, SO42− anions are a chelating reagent and can coordinate to metal ions (Ti and Zr) with its oxygen atoms which make the inorganic polymer easily form and the sols spinnable. The ZrTiO4 fibers with an average length of ca. 40 cm are composed of nanoparticles (particle size <25 nm) of the order of 600 nm to 5 µm in diameter. The transformation of the green gel fibers to ZrTiO4 fibers has been investigated by TGA, FTIR, XRD, SEM, TEM and UV techniques. Furthermore the microstructures of the ZrTiO4 fibers have also been characterized, and the fiber density is up to 98.2% of its theoretical value.
Neutron and X‐ray Scattering: Suitable Tools for Studying Ionomer Membranes

Neutrons and x‐rays were extensively used to study the microstructure of the polymeric membranes for fuel cells. The small‐angle x‐ray and neutron scattering (SAXS and SANS resp.) data for Nafion® and alternative membranes present specific features. The different analyses and proposed models to interpret these data are reviewed. A special emphasis is devoted to the recent elongated polymer particle model which appears as the most efficient model for Nafion® to interpret not only the numerous scattering data but also the transport swelling and mechanical properties. Neutrons can also be used to study the water management in situ in an operating fuel cell either to visualise the water accumulation in the gas distributors or to determine the water concentration profiles through the membrane and during operation.
Benzene dimer: A polar molecule

The electric deflection of molecular beams of (C6H6)2, produced by adiabatic expansion, has been measured. The benzene dimer is observed to be a polar species. It is likely that the structure of this species is that of two perpendicular planes, as is observed for nearest neighbors in crystal and liquid benzene.
Capturing Binary Graphs

This thesis regroups a set of algorithmical approaches related to the problem of graph metrology. Graphs are an abstraction representing a set of entities along with their interactions. As such, they are widely used as a tool to model real-life homogeneous systems. However, when using graphs to represent actual systems, a central question is "How to accurately represent these systems using graphs ? ". Indeed, when using Graphs as an abstraction to represent a real interaction system, accurately obtaining the set of interactions is sometimes difficult. As a consequence, the captured graph is often an imperfect representation of the real system. But how useful are those imperfect representations ? We show in the first part of this manuscript that some theoretical analyses of graph capture approaches provide bad pessimistic answers. The second part of this manuscript focuses on modeling real graphs to provide an approach to this question in the context of human mobility. By extensively collecting data on interacting humans in a crowd, we showcase some uses for interaction graphs despite their imperfections. The last part of this manuscript takes a step back on these analyses by providing some tools to chart the space of possible graphs. The angle pursued is to provide useful distances on the space of graphs that more precisely allow to differentiate errors that matter and errors that don't.
Structure‐property relationships of degradable polyurethane elastomers containing an amino acid‐based chain extender

A series of degradable polyurethanes of variable soft segment chemistry and content were synthesized and characterized. An amino acid-based diester chain extender was used to confer degradability and both polycaprolactone diol (PCL) and polyethylene oxide (PEO) were used as soft segments. In addition, the diisocyanate component was a potentially nontoxic diisocyanate (2,6-diisocyanato methyl caproate, LDI). The physicochemical properties of these unique series of polyurethanes were investigated. It was found that the PEO containing polyurethanes were generally weak, tacky amorphous materials. In contrast, the PCL polyurethanes were relatively strong, elastomeric materials which ranged from completely amorphous to semicrystalline as noted by differential scanning calorimetry. The PCL containing polyurethanes exhibited increasing tensile strength, modulus, and ultimate strain with increasing PCL molecular weight because of increasing phase separation and increasing soft segment crystallinity. Fourier transform infrared analysis showed significant hard segment urea and urethane hydrogen bonding which increased with hard segment content, although interphase bonding is believed to be significant for the PCL polyurethanes. Surface characterization carried out by contact angle analysis and X-ray photoelectron spectroscopy indicated soft segment surface enrichment for all of the polyurethanes. The PEO-based polymers were very hydrophilic whereas the PCL-based polymers displayed significantly higher contact angles, indicating greater surface hydrophobicity. The observed diversity in material properties suggests that these polyurethanes may be useful for a wide range of applications. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 75: 1522–1534, 2000
Assembled Organic/Inorganic p−n Junction Interface and Photovoltaic Cell on a Single Nanowire

We have utilized a single organic/inorganic p−n junction nanowire composed of the inorganic semiconductor cadmium sulfide (CdS) and a conducting polymer polypyrrole (PPY) to successfully convert light energy into electricity. The organic/inorganic semiconductor nanowire exhibits a power conversion efficiency of 0.018% under an illumination intensity of 6.05 mW/cm2. The fundamental studies operated here will be helpful to understand photoinduced energy/charge transport in an organic/inorganic interface and might be also serve as promising building blocks for nanoscale power sources for developing nanoscale solar power conversion systems.
Square root and quadratic equations for the study of leaf diagnosis in wheat

Abstract Difficulties in the use of diagnosis in annual plants have led the authors to explore the quadratic and square‐root functions as models for nutritional status in wheat. These equations were chosen to explain more readily the physiological aspects that lie behind the relationship between nutrient content and yield. Ninety‐one equations were fitted using the results from five sets of experiments. In all equations x‐values were the mineral concentrations in the leafs and y‐values the dry weight of leaves, grain or aboveground matter. Although both equations represent the relationship well, the square‐root function is considered more suitable because its asymmetry reflects the observed behavior of growth with respect to nutrition.
Ordered Mesoporous Silicoboron Carbonitride Materials via Preceramic Polymer Nanocasting

Highly ordered two-dimensional (2D) mesoporous silicoboron carbonitride (SiBCN) materials were prepared by a double nanocasting approach using mesoporous SBA-15 silica as starting template. The latter was converted into its negative replica CMK-3 carbon template, which was subsequently impregnated with a boron-modified polysilazanes of the type [B(C2H4SiCH3NCH3)3]n ([C14.4H31.4N4.1B1.0Si3.0]n) using a liquid-phase impregnation (LPI) process. The derived [B(C2H4SiCH3NCH3)3]n-carbon composite was cross-linked under ammonia at 200 °C and then thermolyzed under nitrogen at 1000 °C to generate a SiBCN-carbon composite. The carbon template was subsequently removed through thermal treatment at 1000 °C in an ammonia atmosphere to generate ordered mesoporous structures. XRD and TEM analyses revealed that as a negative replica of the CMK-3 template, the obtained amorphous mesoporous material exhibited open, continuous, and ordered 2D hexagonal frameworks, whereas elemental analyses indicated the formation of materi.
Cotton fabrics coated with lignosulfonate-doped polypyrrole for flexible supercapacitor electrodes

Polypyrrole/lignosulfonate (PPy/LGS) coated cotton fabrics have been prepared via in situ oxidation polymerization of pyrrole in the presence of lignosulfonate as both template and dopant. The mass loading on the fabric samples decreases dramatically with the increased LGS content. The electrical conductivity of the coated fabrics achieved 3.03 S cm−1 under the optimized conditions. The electrochemical properties of the coated fabrics were investigated using cyclic voltammetry and galvanostatic charge–discharge measurements. The specific capacitance of the coated fabrics can be as high as 304 F g−1 at a current density of 0.1 A g−1 in aqueous electrolyte. These novel fabrics are desirable for applications in wearable supercapacitors.