Miracle-dz/UniFAR-FTUs huggingface dataset:
Formulation and evaluation of oxcarbazepine fast dissolve tablets

Oxcarbazepine, a new anticonvulsant drug, has been used as an add-on or first line treatment in adults and children. As precision of dosing and patient's compliance become important prerequisite for a long term antiepileptic treatment, there is a need to develop a formulation for this drug which overcomes problems such as difficulty in swallowing, inconvenience in administration while travelling and patient's acceptability. Hence, the present investigation was undertaken with a view to develop a fast dissolving tablet of oxcarbazepine which offers a new range of product having desired characteristics and intended benefits. Fast dissolve tablets of oxcarbazepine were prepared containing Avicel PH 102 as a diluent and Ac-Di-sol as a superdisintegrant by wet granulation process. All the formulations were evaluated for characteristics such as hardness, friability, weight variation, wetting ability, disintegration time and dissolution rate. A modified disintegration method was used for studying disintegration. Since the drug is poorly water soluble, drug release was tested in various media and the effect of surfactant on drug release was studied. An effective, pleasant tasting and stable formulation containing 12% Ac-Di-sol, 25% Avicel PH 102 and 8.5% starch as a binder was found to have a good hardness of 4-4.5 kg/cm2, disintegration time of 28±5 s and drug release of not less than 90% within 30 min. The drug release was found to be comparable to the marketed dispersible tablet.
Effect of Blanching by Ohmic Heating on the Osmotic Dehydration Behavior of Apple Cubes

The effect of blanching by ohmic heating (OH) on the damage to apple tissues and subsequent osmotic dehydration kinetics was investigated. Apple cubes were heated ohmically to various blanching scales. Heating temperature and duration were, respectively, 60–95 ± 2°C and 0–6 min. After cooling, the treated samples were put into sucrose solutions (70 °B) for the osmotic dehydration (OD). The equilibrium state of osmotic dehydration was estimated using the Azuara model. Ohmic heating leads, even for short treatments, to significant changes in the cellular structure of apples and to the enhancement of mass transfer during osmotic dehydration.
Solid-phase extraction of less volatile flavor compounds from ultrahigh-temperature processed milk

A rapid and sensitive method was developed to isolate relatively nonvolatile flavor compounds from UHT milk. Various solid-phase materials were investigated including activated carbons, C 18 reversed-phase silica, Florisil, and silica gel. The solid phase materials packed in small columns were treated with various solvents and loaded with the milk samples. Then, the compounds retained in the columns were analyzed by gas chromatography or GC-MS
Non-precious cobalt oxalate microstructures as highly efficient electrocatalysts for oxygen evolution reaction

Well-defined cobalt oxalate (CoC2O4·2H2O) microstructures with controllable morphologies have been successfully synthesized by a simple solvothermal process. The resulting CoC2O4·2H2O microrods (MRs) and micropolyhedrons (MPs) can be easily controlled by rationally tuning the composition of solvents. It is experimentally demonstrated that CoC2O4·2H2O microstructures as nonprecious metal based electrocatalysts exhibit remarkable activity for catalyzing OER in alkaline medium. Such performance is found to be closely dependent on the morphology of CoC2O4·2H2O microstructures. The MRs with higher aspect ratio and more active Co sites manifest a small OER onset potential, large anodic current and long-term durability, which are superior to the MPs, derived Co3O4 MRs, and previously reported cobalt oxalate electrocatalysts, and even compare favorably with most previously reported Co-based OER electrocatalysts.
Crystallogenesis of Particles Formed in Hydrocarbon Combustion

Abstract The formation of crystallinity in combustion generated soots is explored by three traditional methods that are based on their sensitivity to the Bragg diffraction produced by multilayer atomic structures. These techniques are high resolution electron microscopy (HRTEM), X-Ray diffraction (XRD), and dark field transmission electron microscopy )DFTEM). These methods provide complementary information on the nature of the crystallinity in combustion generated soots. The lattice parameters of both flame generated soots and diesel soots are consistent with the structure of disordered carbons with graphitic basal planes. The initial evidence of crystallinity in flame generated particles is detected by XRD in the precursor particles that previously have been found to contain multiring polycyclic aromatic hydrocarbons (PAHs). These results are consistent with the hypothesis of Oberlin (1984) that PAHs in carbonizing hydrocarbon pitches are assembled in parallel layers to produce diffraction peaks. The more intense display of diffraction maxima is evident in DFTEM when the particles sampled from flames undergo the transformation from isolated precursor spheroids to clustered aggregates during the carbonization process. These results support the view that the PAHs initially formed in the gas phase combustion processes undergo a series of transformations in which the hexagonal geometry is preserved and form the basal planes of the crystallites found carbonaceous soot particles. This description evidently applies to the formation of soot from a wide variety of hydrocarbon fuels burned in various combustion devices ranging from gaseous-fueled laboratory burners to diesel engines.
The Effect of Poly(3‐hexylthiophene) Molecular Weight on Charge Transport and the Performance of Polymer:Fullerene Solar Cells

The time‐of‐flight method has been used to study the effect of P3HT molecular weight (Mn = 13–121 kDa) on charge mobility in pristine and PCBM blend films using highly regioregular P3HT. Hole mobility was observed to remain constant at 10−4 cm2V−1s−1 as molecular weight was increased from 13–18 kDa, but then decreased by one order of magnitude as molecular weight was further increased from 34–121 kDa. The decrease in charge mobility observed in blend films is accompanied by a change in surface morphology, and leads to a decrease in the performance of photovoltaic devices made from these blend films.
Calculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models

The FDPB/γ method and the PARSE parameter set have been recently shown to provide a computationally efficient and accurate means of calculating hydration free energies.1 In this paper this approach is extended to the treatment of the partitioning of various solute molecules between the gas phase, water, and alkane solvents. The FDPB/γ method treats the solute molecule as a polarizable cavity embedded in a dielectric continuum. The solute charge distribution is described in terms of point charges located at atomic nuclei. Electrostatic free energies are obtained from numerical (finite difference) solutions to the Poisson (or Poisson−Boltzmann) equation, while nonpolar contributions are treated with a surface area-dependent term proportional to a surface tension coefficient, γ. To apply the FDPB/γ method to nonaqueous phases, it is necessary to derive a continuum representation of solute−solvent interactions appropriate for such systems. It is argued in this work that solute cavities in nonpolar solvents ar.
Space‐Charge Formation in Small PbS Particles

A theoretical model is discussed for the effect of oxygen on the electrical properties of PbS thin films. The films are assumed to be composed of very small n‐type microcrystals, on the surface of which oxygen is adsorbed. The adsorbed atoms are singly ionized by electrons from the interior of the microcrystals. The appropriate Poisson‐Boltzmann equation is solved for particles of radius 5×10—8 m and 5√10×10—8 m, and for donor concentrations of 1023 m—3 and 1024 m—3. The potential distribution is given as a function of the surface acceptor concentration required for the conservation of charge.Models for the electron and hole conductivities are given, and the results of calculations based on these models are compared with experiment. This theory is contrasted with the earlier bulk diffusion theory of the effect of oxygen. The free energy of adsorption is roughly calculated. Implications of this theory are discussed—on the general character of conduction in PbS films, on the temperature coefficient of condu.
Ab Initio Based O-O Investigation and the Snoek Relaxation in Nb-O

t is common knowledge that interstitial-interstitial interaction influence on the Snoek relaxation. We used a computer simulation of this effect in the Nb-O alloy to test the adequacy of various models of the O-O interaction and clarify the mechanism of this effect The energy calculations in the first twelve coordination shells have been performed by the projector augmented-wave (PAW) method as implemented in the Vienna ab initio simulation package (VASP). The energies have been calculated in different ways which vary in the method of determination the energy of non-interacting O-O pairs. The energies calculated on the various variants are similar but in one case there is O-O repulsion in all first twelve coordination shells, whereas in another one can see attraction in four of twelve shells. Internal friction Q-1was calculated as a sum of the contributions from individual interstitial atoms in different environments, each of which being assumed to be the Debye function. It is assumed that long-range interaction of oxygen atoms affects the distribution of these atoms and the energy of each interstitial atom in the octahedral interstices before a jump and after a jump. The Monte Carlo method is used for simulating short-range order of interstitial atoms and for calculating values of energy changes. Comparison of the calculated temperature and concentration dependence of the Snoek peak with the published data showed that the PAW supercell calculation of the O-O interactions in Nb describes the behavior of the interstitial solid solution adequately. It proves also that the impact of interstitial atom concentration on the Snoek relaxation is connected to the mutual attraction of these atoms.
Study of regulatory factors of translation in Escherichia coli

The analysis of gene expression regulation is necessary to better understand bacterial adaptation to environment and to be able in a context of synthetic biology to optimize the production of molecules of interest. The goal of this thesis was to study translation at the genome-wide level and its relationship to other cellular processes using a systems biology approach. First, translation activity at the -omic scale (called the traductome) was measured : for each messenger RNAs, its percentage of copies in translation and ribosome density. For the first time, a complete picture of the translational state in fast growing E. coli cells was obtained, characterized by a majority of transcripts with a very high percentage of copies in translation but a low ribosome density. Our model identified sequence-related factors as determinants of translation but, more surprisingly, the model predicted the important role of a physiological parameter: the mRNA concentration. Thus, more concentrated mRNA would have higher percentage of copies in translation and higher ribosome density. For the first time, this effect of transcription on translation has been validated at the molecular level on several genes. We showed that an increase in mRNA concentration by transcriptional induction results in increases in percentage of copies in translation and in ribosome load.
Review: organic matter removal from soils using hydrogen peroxide, sodium hypochlorite, and disodium peroxodisulfate

We compare the performance of three most accepted reagents for organic matter removal: hydrogen peroxide (H 2 O 2 ), sodium hypochlorite (NaOCI) and disodium peroxodisulfate (Na 2 S 2 O 8 ). Removal of organic matter from soil is mostly incomplete with the efficiency of removal depending on reaction conditions and sample properties. Generally, NaOCI and Na 2 S 2 O 8 are more effective in organic C removal than H 2 O 2 . Alkaline conditions and additives favoring dispersion and/or desorption of organic matter, such as sodium pyrophosphate, seem to be crucial for C removal. Pyrophosphate and additives for pH control (bicarbonate) may irreversibly adsorb to mineral surfaces. In soils with a large proportion of organic matter bound to the mineral matrix, for example subsoils, or rich in clay-sized minerals (Fe oxides, poorly crystalline Fe and Al phases, expandable phyllosilicates), C removal can be little irrespective of the reagents used. Residual organic C seems to seems to represent largely refractory organic matter, and comprises mainly pyrogenic materials and aliphatic compounds. If protected by close association with minerals, other organic constituents such as low-molecular weight carboxylic acids, lignin-derived and N-containing compounds may escape chemical destruction. For determination of mineral phase properties, treatment with H 2 O 2 should be avoided since it may promote organic-assisted dissolution of poorly crystalline minerals at low pH, disintegration of expandable clay minerals, and transformation of vermiculite into mica-like products due to NH + 4 fixation. Sodium hypochlorite and Na 2 S 2 O 8 are less harmful for minerals than H 2 O 2 . While the NaOCI procedure (pH 9.5) may dissolve Al hydroxides, alkaline conditions favor the precipitation of metals released upon destruction of organic matter. Prolonged heating to >40°C during any treatment may transform poorly crystalline minerals into more crystalline ones. Sodium hypochlorite can be used at 25°C, thus preventing heat-induced mineral alteration.
Further developments in the structure topology of the astrophyllite-group minerals

Abstract The structure topology and crystal chemistry have been considered for ten astrophyllite-group minerals that contain the HOH layer, a central trioctahedral (O) sheet and two adjacent (H) sheets of [5]- and [6]-coordinated D polyhedra and the astrophyllite (T4O12) ribbons. The HOH layer is characterized by a planar cell with a ~5.4, b ~11.9 Å and a^b ~103°. The ideal composition of the O sheet is Fe2+7(astrophyllite) or Mn2+7 (kupletskite). All structures consist of an HOH layer and an I (intermediate) block that consists of atoms between two HOH layers. In the astrophyllite group, there are two types of structures based on the type of linkage of HOH layers: (1) HOH layers link directly where they share common vertices of D octahedra, and (2) HOH layers do not link directly via polyhedra of the H sheets. The type-1 structure occurs in astrophyllite, niobophyllite, nalivkinite, tarbagataite, kupletskite, niobokupletskite and kupletskite-(Cs); the type-2 structure occurs in magnesioastrophyllite, sveinbergeite and devitoite. The general formulae for the eight astrophyllite-group minerals (astrophyllite, niobophyllite, nalivkinite, tarbagataite, kupletskite, niobokupletskite, kupletskite-(Cs), magnesioastrophyllite) and for the extended astrophyllite group including devitoite and sveinbergeite are A2BC7D2T8O26(OH)4X0−1 and A2pBrC7D2(T4O12)2IXOD2XOA4XPDn, respectively, where C and D are cations of the O and H sheets, C = [6](Fe2+, Mn, Fe3+, Na, Mg, Zn) at the M(1−4) sites; D = [6,5](Ti, Nb, Zr, Fe3+); T = Si, minor Al; A2pBrI is the composition of the I block where p = 1,2; r = 1,2; A = K, Cs, Li, Ba, H2O, ☐; B = Na, Ca, Ba, H2O, ☐; I represents the composition of the central part of the I block, excluding peripheral layers of the form A2B; X = O, OH, F and H2O; n = 0, 1, 2. Two topological issues have been considered: (1) the pattern of sizes of the M octahedra in the O sheet, M(1) > M(2) > M(3) > M(4) and (2) different topologies of the HOH layer in magnesioastrophyllite and all other structures of the astrophyllite group.
Adhesion forces between functionalized probes and hydrophilic silica surfaces

Adhesion forces between functionalized colloidal polymer spheres and a hydrophilic silica surface under different solution conditions were measured using an atomic force microscope (AFM). The measured force profiles show that the adhesion forces are sensitive to surface functional groups, pH, salt concentrations and the valency of cationic species. At pH below 8, the adhesion force between the surfaces of carboxylate functionality and hydrophilic silica wafer is about one order of magnitude greater than that between the surfaces of amine functionality and hydrophilic silica wafer. The strong adhesion interactions observed between the carboxylic-acid-functionalized probe and the hydrophilic silica surfaces are mainly attributed to hydrogen bonding between the surfaces. Our results suggest that hydrogen-bonding interactions can be mediated by the addition of divalent species as demonstrated by the addition of calcium ions at 0.1 and 1.0 mM concentration.
Blending Effects on Polymorphic Crystallization of Poly(l-lactide)

The effects of miscible blending on the crystallization kinetics and crystalline structure of poly(l-lactide) (PLLA) were investigated by differential scanning calorimetry (DSC), polarized optical microscopy (POM), Fourier transform infrared (FTIR) spectroscopy, and wide-angle X-ray diffraction (WAXD). It was confirmed that the blends of PLLA and poly(d,l-lactide) (PDLLA) are miscible at all compositions. Due to the dilution effect, the crystallization of PLLA was hindered with the presence of PDLLA. The PLLA/PDLLA blends show the irregular or ring-banded spherulites. The polymorphic behavior of PLLA is influenced by the miscible blending with PDLLA. FTIR and WAXD data indicates that the formation of the α-form crystals of PLLA is favored in the blends. With incorporation of 50 wt % PDLLA, the critical temperature for the formation of α′- and α-form crystals decreases from ∼110 (of neat PLLA) to ∼80 °C. The factors affecting the formation of the PLLA α′- and α-form crystals were discussed from the thermod.
Diffusive dynamics of water in ion-exchanged zeolites

In this paper, an incoherent quasi-elastic neutron scattering (IQENS) study of the single-particle dynamics of water in fully hydrated Na-A and Mg50-A zeolites at T = 293 K and T = 333 K is presented. In order to probe different time scales, measurements were made at two resolutions, ∼8 µeV and ∼28 µeV. The high-resolution data allowed us to investigate the slower dynamics, which is mainly translational. The low-resolution spectra were used to probe the faster dynamics and distinguish between diffusional and rotational motion. We found that the partial exchange of Na+ with Mg2+ induces: (a) an increase of the available volume for diffusion; (b) a decrease of the fraction of water molecules taking part in the observed jump diffusion process; and (c) a shortening of the residence time.
Vinyl Polymerization of Norbornene with Neutral Salicylaldiminato Nickel(II) Complexes

A series of neutral salicylaldiminato Ni(II) complexes have been synthesized and characterized, and complexes a and e have been confirmed by X-ray single-crystal analyses. These compounds show highly catalytic activities for the vinyl polymerization of norbornene with MAO cocatalyst, which could be up to 2.86 × 108 g PNB/(mol Ni·h), and also lead to various activities, molecular weights, and distributions of polynorbornenes under different reaction conditions.
Factors influencing the potential mobility and bioavailability of metals in dried lake sediments

AbstractSamples taken from polluted creek sediments were dried at temperatures between 20°C and 100°C (either in air or under a nitrogen atmosphere) and selective chemical extraction procedures were then used to examine the effect of drying temperature and oxidation on the bonding mode distribution patterns of Zn, Pb, Cd and Cu. Exposure to air during the drying stage tended to increase the fraction of total metal which was less firmly bound (i.e. ion exchangeable, weakly sorbed). Less metal was present in these categories when higher drying temperatures were used, and temperature changes had a larger effect when the samples were dried under nitrogen. The drying process appears to promote metal migration to phases having a stronger bonding power. In most of the samples studied, heating caused Pb to migrate to the carbonate phase while accumulation in the organic/sulfide phases was the dominant process for Cu and Cd. In the case of Zn, migration to the carbonate phase was favoured in some studies (e.g. usi.
Formation and role of cool flames in plasma-assisted premixed combustion

The structure of a plasma-assisted laminar premixed flame is studied numerically. The initial radical yield generated by a nonequilibrium discharge serves as the boundary condition for a one-dimensional flame code predicting the formation of a cool flame which pilots the premixed methane/air combustion. The ignition of the surrounding unactivated methane-air mixture by this cool flame is modeled as an opposed diffusion flame. Our findings indicate that the nonequilibrium discharge is an in situ reformer of the fuel for the production of the cool flame, producing primarily H2 and CO, thus, facilitating the burning of the lean methane-air mixture.
Investigation of the inhibition effect of the environmentally friendly inhibitor sodium alginate on magnesium alloy in sodium chloride solution

The corrosion inhibition and adsorption behavior of sodium alginate on AZ31 magnesium alloy in 3.5 wt% sodium chloride solution is investigated. The results show that sodium alginate can effectively inhibit the corrosion of AZ31 magnesium alloy. With increasing sodium alginate concentration, the inhibition efficiency initially increases and then decreases. It reaches a maximum of 90.00% at a sodium alginate concentration of 500 ppm. The inhibition is due to adsorption of sodium alginate on the bare magnesium alloy surface, where it mixes with magnesium hydroxide to form a more continuous and compact film, which retards the corrosion of the alloy.