Miracle-dz/UniFAR-FTUs huggingface dataset:
Degradation of Artesunate in Aqueous Solution

Artesunate, ART, is an antimalarial drug which is the only soluble artemisinin available on the market. ART has a low stability in aqueous solution. The degradation rate of ART in aqueous solution in a range of pH values (2.00-10.50) and selected IV fluids at 37 °C was studied. The temperature dependence was also investigated. High-performance liquid chromatography, HPLC, with detection at 210 nm was employed. There were significant effects on the rate degradation of ART according to the pH value employed and temperature. Shelf-lives of ART were 2.5, 1.2 and 1.0 h when reconstituted at 0.6 mg mL-1 in Hartman’s solution, 0.9% normal saline, and 5% glucose IV fluid at 37 °C respectively. The pH-rate profile demonstrated three general regions: decreased rate with pH fall to pH 7.50 followed by an increased rate. There was a combination of specific acid-base and carboxylate anion catalysis. Buffers may have a small effect on the degradation rates. The effect of ionic strength was slightly significant on the rat degradation of ART. A comparison in the rate degradation of ART with HPLC and LC-MS showed no significant difference in measured degradation rates.
Vulcanization kinetics of natural rubber–organoclay nanocomposites

The effect of the incorporation of a bentonite on the vulcanization kinetics of natural rubber was investigated by means of both cure-meter testing and differential scanning calorimetry (DSC) under dynamic and isothermal conditions. The vulcanization curves showed that the modified clay behaved as an effective vulcanizing agent, accelerating the vulcanization reaction of the elastomer. A marked decrease in the induction time and optimum cure time of the elastomer were observed in the presence of the organoclay. Although the octadecylamine itself accelerated the vulcanization process, the octadecylamine-modified clay gave rise to a further noticeable increase in the vulcanization rate, which could be attributed to a synergetic effect between the filler and the amine. Moreover, in the presence of the organoclay, a dramatic increase in the torque value was obtained because of the formation of a higher number of crosslinks, which could be attributed to the confinement of the elastomer chains within the silicate galleries and, consequently, to better interactions between the filler and the rubber. However, no significant changes were observed in the unmodified clay composite. These results were in concordance with those obtained by DSC. In addition, the activation energy of the vulcanization process was also calculated by means of both techniques. A clear decrease in the activation energy was observed when the organoclay was added to the nanocomposite, which indicated that the layered silicate favored the processing of the elastomer. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 89: 1–15, 2003
Effect of biopreparations Amino Total and Biochikol 020 PC on rhizogenesis in stem cuttings of Physocarpus opulifolius 'Dart's Gold' and 'Diabolo'

Effect of biopreparations Amino Total and Biochikol 020 PC on rhizogenesis in stem cuttings of Physocarpus opulifolius ‘Dart’s Gold’ and ‘Diabolo’. The experiments were carried out on Physocarpus opulifolius ‘Dart’s Gold’ and ‘Diabolo’in the nursery of M.M. Kryt in Wola Prazmowska near Warsaw, in 2008. Stem cuttings were treated with the commercial rooting powders Ukorzeniacz AB or Rhizopon AA and/or sprayed with biostimulators Amino Total (0.1%) and Biochikol 020 PC (2%) in different combinations. A percentage of rooted cuttings was determined and a degree of the root ball development was evaluated after 6 weeks. Rhizopon AA containing IBA was more suitable for rooting the cuttings of Physocarpus opulifolius cultivars than Ukorzeniacz AB containing NAA and in both cultivars it enhanced the rhizogenesis regardless the sprayings with biopreparations. Amino Total and Biochikol 020 PC positively affected the rhizogenesis so they can be regarded as substitutes for synthetic auxins in stimulating the rooting of cuttings in Physocarpus opulifolius. Both biopreparations increased the contents of chlorophyll a+b, free amino acids and polyphenolic acids while decreased the levels of reducing sugars and sucrose in cuttings during their rooting.
Effect of plant density, level of fertilizer and growth regulators on yield attributes and yield of transplanted fennel (Foeniculurn vulgare)

A field experiment was conducted during 2002-04 at Instructional Farm, Udaipur, Rajasthan, to find out the optimum plant density, levels of fertilizer and growth regulators for higher productivity of transplanted fennel (Foeniculunl vulgare nli L.). Planting of fennel at a density of 55.55 thousand plants/ha significantly increased seed yield/ha during both the years although the maximum number of yield attributes/plant were recorded with the density of 27.77 thousand plants/ha. The mean increase in seed yield due to planting of crop at a density of 55.55 thousand plants/ha was 17.10 and 6.04 % over the densities of 27.77 and 83.33 thousand plants/ha respectively. Application of 90 kg N + 17.2 kg P + 16.6 kg K + 20 kg S + 5 kg Zn/ha significantly increased yield-attributing characters and yield of fennel over rest of the treatments. The mean increases with the application of NPKSZn was 22.37, 10.09 and 6.99 % in seed yield and 18.39, 7.55 and 4.56 % in stover yield over that of NPK, NPKZn and NPKS respectively. Application of naphthalene acetic acid (NAA.) at 100 ppm and benzyl adenine (BA) at 10 ppm significantly increased few yield attributes such as number of umbels/plant, umbelletsl umbel and seeds/umbel and yield of fennel during both the years. The mean increases in seed yield owing-to application of NAA at 100 ppm and BA at 10 ppm was 15.58 and 8.37 %, respectively, over water spray (1.80 tonncs/ha).
Dependence of Molecular Hydrogen Formation in Water on Scavengers of the Precursor to the Hydrated Electron

Molecular hydrogen yields have been measured in the γ radiolysis of aqueous solutions with a wide variety of scavengers of the hydrated electron and its precursors. A decrease in molecular hydrogen yield with increasing scavenging capacity of the hydrated electron is found with all solutes. Scavengers with particularly high rate coefficients for reaction with the precursors to the hydrated electron compared to the hydrated electron, such as selenate and to a lesser extent molybdate, show a more rapid decrease in hydrogen yields with increasing scavenging capacity than is observed with the other solutes. The yield of molecular hydrogen is better parametrized by the scavenging capacity for the precursors to the hydrated electron than by the scavenging capacity for the hydrated electron. Good scavengers of precursors to the hydrated electrons do not exhibit a “nonscavengable” hydrogen yield in the high scavenging capacity limit. These results suggest that the previously accepted “nonscavengable” yield of mol.
Fe, Mg and Al distribution in the octahedral sheet of montmorillonites. An infrared study in the OH-bending region

Abstract Ten montmorillonites of different origins with variable Fe contents were analysed using transmission IR spectroscopy. Special attention was devoted to the OH-bending region to obtain information about the distribution of octahedral cations. For low to medium Fe contents (≤ 0.56 per Si8 formula unit), a linear relationship between the position of the δAlFeOH band and Fe content was observed. Such correlation might be explained by changes in the cis-trans occupancy of Fe in the octahedral sheet. Deconvolution of the OH-bending domain allows us to discriminate three components (δAlAlOH, δAlMgOH and δAlFeOH) which are correlated with cation abundances derived from chemical analysis. The relative area of each band can then be compared with theoretical areas calculated assuming a fully random distribution of cations in the octahedral sheet. Using such treatment, eight of the 10 montmorillonites studied presented a nearly randomized octahedral distribution. The two samples from Wyoming were clearly different as they exhibited a strong ordering tendency.
Isothermal Cold-Crystallization of PLA/PBAT Blends With and Without the Addition of Acetyl Tributyl Citrate

The isothermal cold-crystallization kinetics of the PLA phase is studied by DSC and the crystallization from the melt by PLOM. Even though the blends exhibit two phases by SEM, several pieces of evidence indicate that partial miscibility may be present in these blends: small changes in both Tg and Tm of the PLA phase; a dependence of the spherulitic growth rate on blend composition and the oclusion of PBAT droplets inside PLA spherulites. Acetyl tributyl citrate is able to plasticize both phases in the blends, but it displays a preference to dissolve within the PBAT rich phase. There is a synergystic effect on the increase in the overall crystallization rate of the PLA rich phase when both ATBC and PBAT are present in the blend.
Experimental Study Examining the Evolution of Nitrogen Compounds during the Gasification of Dried Sewage Sludge

Gasification of dried sewage sludge, which contains a high percentage of nitrogen, was experimentally studied to determine the effects of some operational parameters, such as freeboard temperature and equivalence ratio, on the partitioning of the fuel nitrogen among nitrogenous species. Experiments were performed using a bench-scale fluidized-bed gasifier and according to a well-specified procedure implemented to recover and quantify the nitrogen compounds. A mixture of argon and oxygen in similar proportions to air was used as a gasification agent in order to correctly quantify the N2 produced in the gasification process in an experimental way. Important findings of this research include the following: applying the analytical procedure developed in this work, a reasonably good inventory of nitrogen in the gasification products was obtained (mass balance closures near to 100%); most of the nitrogen goes to form gaseous products, N2 being the main gaseous nitrogen-containing product obtained; concentration.
Direct spectrometric determination of total fluorine in geological materials by continuous powder introduction into helium microwave induced plasma

A sensitive, direct, spectrometric method for the determination of total fluorine content in a wide variety of geological materials has been developed. Solid samples were ground in a mill and sieved prior to continuous powder introduction microwave induced plasma optical emission spectrometry (CPI-MIP-OES) determination with a helium plasma. The effects of operating conditions and sample particle size on the analytical signal were evaluated. Materials were introduced as a solid–gas aerosol. The amount of fluorine was measured using calibration standards prepared by dropping of a standard fluoride solution on a suitable powdered support (silica or activated carbon) with matrix matching. The experimental detection limit for fluorine at line 685.6 nm, obtained with the CPI-He-MIP-OES method, was of the order of 3–6 μg g−1; the uncertainty was about 5–17%. The developed method was validated by carrying out the analysis of different certified reference materials including soils, fly ash and coals.
EFFICACY OF JOJOBA OIL AGAINST TWO STORED LEGUME SEED INSECT PESTS Callosobruchus Maculatus (F.) AND C. Chinensis (L.)

Adults of Callosobruchus maculatus (F.) and C. chinensis (L.) were exposed to broad been seeds treated with four different concentrations of jojoba oil (70 % EC) 875, 1750, 3500, 7000 ppm and untreated control to evaluate the effectiveness of jojoba oil as a protectant. A negative correlations were observed between the jojoba oil concentration and all evaluated biological parameters, fecundity, egg viability, developmental period of the immature stages, adult emergence, broad bean seeds viability and seeds weight loss percentage for both tested insects C. maculatus and C. chinensis. The obtained results cleared that C. chinensis was more susceptible to jojoba oil than C. maculatus and there is a significant difference between the two tested insects in all tested biological aspects regardless to the concentration (for the fecundity 168.33 and 190 eggs/female, hatchability percentage 60.33 and 69.5 %, developmental period 26.3 and 28.3 days, and 36.33 and 45.33 F1 emerged adults and weight loss percentage 6.02 and 7.56%, respectively. The highest concentration 7000 ppm gave a complete protection of seeds with zero weight loss percent for both tested insects. The mean percentage of weight loss in untreated seeds was 40.61, 49.20%, for C. maculatus and C. chinensis respectively, while, weight loss% reduced to more than the half averaged 7.56 and 6.02% for treated seeds. The residual effect of jojoba oil treatments was clearly effective in the first month of storage period which gave a 100% protection of treated bean seeds with 0.0 F1 emerged adults in both tested insects (100% mortality of developmental stages). After six months of storage period, residual effect of jojoba oil reduced by the storage period prolongation, While, jojoba oil still could protect the broad bean seeds against C. maculatus and C. chinensis attacks although the efficacy of jojoba oil decreased with aging 79.92 and 61.86% reduction of F1 adult emergence compared to untreated control. Slight harmful effect of jojoba oil application on the viability of broad bean seeds, so reduction of germination was most appeared at, the highest concentration7000 ppm particularly at the end of storage period averaged 28.22%.
Soil Nitrates Following Four Years Continuous Corn and as Surveyed in Irrigated Farm Fields of Central and Eastern Colorado 1

High rates of fertilizer N used in many intensive farm management systems have been cited as a potential pollution hazard to surface and ground waters. The purpose of this study was to evaluate soil NO₃⁻ accumulations following 4 years continuous corn (Zea mays L.) grown with different nitrogen and irrigation regimes, and to compare these results to present NO₃⁻ concentrations found in irrigated farm fields of central and eastern Colorado. Soil NO₃⁻ content in the 300-cm sampled profile was significantly influenced by both fertilizer N and irrigation treatments; the greater accumulations were associated with the two higher fertilizer N rates and two lower irrigation rates. Nitrate increased linearly in relation to fertilizer N between 67 and 269 kg N/ha and could be described by two simple regression equations separating the irrigation treatments into two groups (l-2 and l-3, low rates; l-4 and l-5, high rates). Coefficients of determination for the two groups were 0.981 and 0.975, respectively. Two hundred and seventy irrigated farm fields were sampled to a depth of 90 cm in central and eastern Colorado. Mean soil NO₃⁻-N content was 173 kg/ha and contents were not significantly different between coarse and fine textured groupings. Fields sampled immediately following beans (Phaseolus vulgaris L.) contained similar amounts as those following corn. Mean soil NO₃⁻ content decreased with greater soil depth. Observed NO₃⁻ concentrations appear to be the result of gradual accumulations from annual or near-annual fertilizer N and/or manure applied over a period of time. Data from the 4-year corn experiment clearly illustrate that NO₃⁻ can accumulate in a soil profile even when fertilizer N is applied at rates below that required for maximum production.
Atom Transfer Radical Polymerization and Third‐Order Nonlinear Optical Properties of New Azobenzene‐Containing Side‐Chain Polymers

The atom transfer radical polymerization (ATRP) technique has been successfully applied to synthesize a series of nonlinear optically (NLO) active homopolymers, 4-(4-nitrophenyldiazenyl) phenyl acrylate (P-NPAPA) and 4-(4-methoxyphenyl-diazenyl) phenyl acrylate (P-MPAPA), containing azobenzene groups on the side chain. The third-order NLO properties of the polymer films were measured by the degenerated four-wave mixing (DFWM) technique. A dependence of the Χ 13) values and response times of polymers on their number-average molecular weight and the electronic effect of the substituent (nitro- or methoxy-) on the azobenzene group have been evidenced. The increasing Χ 13) value of the polymer films at the magnitude of about 10 -10 was displayed with increasing molecular weight and the presence of the push-pull electronic system contributes much in enhancing the third-order NLO susceptibility of polymers.
Theoretical simulations of the He79Br2 B, v=8←X, v″=0 excitation spectrum: Spectroscopic manifestation of a linear isomer?

Possible manifestations of a linear isomer of a rare gas–halogen molecule van der Waals complex in its B←X excitation spectrum are analyzed using a continuous one-parametric family of X-state potential energy surfaces (PESs) with variable depths of minima in the T-shaped and linear configurations. For the HeBr2 complex as an example, the propensities in the frequencies and intensities of the representative transitions from T-shaped and linear isomers are analyzed and the variation of the whole spectrum with the topology of the X-state PES is established. Qualitatively good agreement with the experimental HeBr2 spectrum clearly suggests that the unassigned secondary band of the observed spectrum is likely formed by transitions from the linear isomer, whose energy is very close to that of the T-shaped one. Present results provide strong evidence for the possibility to detect a linear isomer of rare gas–halogen molecule complexes via conventional excitation spectroscopy. © 2000 American Institute of Physics.
In-house simultaneous collection of small-angle X-ray scattering, wide-angle X-ray diffraction and Raman scattering data from polymeric materials

An in-house X-ray scattering system, which can simultaneously measure small-angle X-ray scattering (SAXS) and wide-angle X-ray diffraction (WAXD) data, as well Raman scattering data, has been developed to study the phase transitions of polymeric materials. To date, these types of measurements have been limited to synchrotron radiation. The present system is an in-house SAXS system combined with a WAXD detector and a Raman spectrometer. A rotating-anode X-ray generator and multilayer optic are employed to provide a high-flux X-ray beam. Two two-dimensional hybrid pixel detectors are utilized for the rapid-scan time-resolved SAXS and WAXD measurements. The Raman unit consists of a compact probe with a near-infrared excitation laser operating at a wavelength of 1064 nm. This long-wavelength laser produces less fluorescence than conventional excitation lasers with wavelengths of 532 or 785 nm. The performance of this system was tested by investigating the thermally induced ferroelectric phase transition of vinylidene fluoride–trifluoroethylene (VDF-TrFE) copolymers. It has been demonstrated that the combination of SAXS, WAXD and Raman techniques gives useful information for revealing the relationship between the structural change in the crystal lattice and the morphological change in the lamellar stacking mode in polymer samples of complicated hierarchical structure.
Nucleation and dehydration of calcium carbonate

Great challenges remain in our understanding of biomineralisation which impede the design and production of a new class of materials. Recent studies have suggested that calcium carbonate clusters are stable in solution before nucleation, and that these participate in the formation of amorphous calcium carbonate (ACC). The structure and stability of these clusters has not been fully determined. Furthermore, the dehydration of stable ACC before crystallisation remains ambiguous. Exhaustive computational searches have been carried out to provide a sample of clusters up to the sizes suggested for particles persisting before nucleation. A large sample of clusters were simulated at high concentration in water using molecular dynamics (MD). The results suggest that cluster stability is a balance between ionic coordination and ion hydration. At high concentration clusters are generally dynamic in the lower limit of stability, forming chains to which ions frequently aggregate and dissolve. Free energy calculations showed a transition in the favoured coordination levels with cluster size. One dimensional Umbrella Sampling calculations showed that at small sizes a collection of clusters with low average cation–anion coordination were thermodynamically stable. For systems containing sixty ions and above, more compact clusters with internal water, close to the stoichiometries identified for stable hydrated ACC in vivo, were lower in free energy. From MD simulations at experimental concentrations and pH, while dynamic ordering was found, ion pairs dominated in solution and the largest clusters observed contained no more than four ions. These findings, combined with the data at high concentration, allow for a re-evaluation of the proposed nucleation mechanisms for calcium carbonate from solution. ACC simulations identified water–filled channels within the ionic framework. Percolating clusters were found when H2O/CaCO3 was greater than 0.75–0.8. The ACC system fitted well with the percolation theory on a simple cubic site lattice for water, and critical exponents showed a good fit to the theoretical values. Non–standard diffusion was found for water, with a “jump” mechanism of diffusion observed and a cascade of molecule displacements within channels. This original result allows new light to be shed on the dehydration mechanism of ACC.
Transient space-charge-limited current pulse shapes in molecularly doped polymers

The transient current response of molecularly doped polymers have been numerically modelled under space-charge-limited (SCL) conditions for the situation in which a step potential is applied to an ideal injecting contact. Under trap-free conditions, the transient SCL current pulse shape is found to be sensitive not only to the underlying field dependence of the injected carrier mobilities and diffusivities, but also to the magnitude of the applied step potential. A progressive reduction in the ratio of the peak current density jp to the final steady-state magnitude jss is obtained by increasing either the field strength of the mobility or the relative amount of diffusion. It is demonstrated, however, that for times preceding the location tp of the current peak, the rate of current increase displays a gradual transition from a super-linear to linear time dependence upon the introduction of diffusion. The diminishing observability of jp/jss is accompanied by a shift in the position of tp relative to the space-charge-free carrier transit time t0. The classical fixed-mobility value tp/t0 = 0.786 is modestly reduced as the field strength of the mobility or amount of carrier diffusion is enhanced. The numerical predictions are compared with experimental SCL current transients obtained from hydrazone doped polyester samples fitted with gold contacts.