Miracle-dz/UniFAR-FTUs huggingface dataset:
CHEMICAL COMPOSITION AND ENERGETIC VALUES OF SELECTED VEGETABLE SPECIES IN LITHUANIAN SUPERMARKETS

Fifty different vegetables included in daily schedule of diet and sold in the biggest supermarkets of Lithuania were analyzed for their nutritional values using standard techniques. In proximate analysis ash, fibre, proteins, fats and moisture were assayed and energetic values were calculated. The vegetable species showed variable results in proximate analysis, but all of investigated vegetables contributed to nutrition values. Moisture content was high ranging from 66.10% in garlic to 96.32% in celery. Crude protein, crude fibre, crude fats and ash were in range from 0.03 to 7.41%, 0.06 to 1.86%, 0.03 to 0.77% and 2.89 to 17.31% respectively. The results showed that almost all vegetables contain appreciable amount of essential nutrients.
Formation and modeling of disinfection by-products in Newfoundland communities

For the past few years, the presence of disinfection by-products (DBPs) especially chlorinated DBPs has become a health concern. This will be an important and particular concern at the water utilities. As standards are becoming very strict, water utilities have to adjust their operation strategies to comply with the new regulations while maintaining residual chlorine, which should ensure an acceptable microbiological quality. This study was aimed at finding the parameters affecting the formation of these DBPs, studying the kinetics of DBPs formation during the chlorination of raw water and developing models to predict the formation of DBPs. Gas chromatograph with an ECD detector was used for the analysis of the samples. Four compounds of trihalomethanes (THMs) Chloroform, dibromochloromethane, bromodichloromethane, bromoform, four compounds of Haloacetonitriles (HANs) dichloroacetonitrile, trichloroacetonitrile, bromochloroacetonitrile, dibromoactonitrile along with two compounds of Haloketones (HKs) 1,1- dichloropropanone and 1,1,1- trichloropropanone were analysed. Chloroform, dichloroactonitrile and 1,1,1- trichloropropanone dominated among the DBPs. TOC, pH, chlorine dosage and reaction time were the important parameters which where affecting the formation of these DBPs. The models to predict the formation of THMs, HANs and HKs were developed with coefficient of correlations of 0.77, 0.685 and 0.681 respectively. Data fit software was used to develop these models.
Compaction properties of microcrystalline cellulose using tableting indices

AbstractThe compaction properties of microcrystalline cellulose (MCC) from 6 different sources were investigated and compared using tableting indices. The 50-μm and 100-μm grades were studied in order to determine lot-to-lot variability within a source, variability between sources, and the influence of storage conditions on the compaction properties of MCC. Two lots of each grade of MCC were obtained from each source and tested as received. It was found that the Avicel and Emcocel products demonstrated the most similarities based on tableting indices. Significant lot-to-lot differences in the tableting indices were observed for Fibrocel, Omnicel, and Spectrum MCC products. The brittle fracture index was low for all products tested and not significant. Storage of compacts at elevated humidity conditions prior to determining the tableting indices decreased the magnitude of the tensile strength, dynamic indentation hardness, and bonding index. Particle size analysis revealed differences between the labeled m.
Antihyperglycemic and antinociceptive activities of methanolic extract of Colocasia esculenta (L.) Schott stems: a preliminary study

The antihyperglycemic and antinociceptive potentials of methanolic extract of Colocasia esculenta (L.) Schott (Araceae) stems were studied, respectively, by oral glucose tolerance tests and acetic acid-induced gastric pain constriction model in Swiss albino mice. In oral glucose tolerance tests conducted with glucose-loaded mice, the extract when administered at doses of 50, 100, 200 and 400 mg per kg body weight in mice resulted in inhibitions of rise in blood glucose concentrations, respectively, by 20.7, 24.7, 33.0 and 37.5%. The fall in blood glucose concentrations were both dose-dependent and statistically significant. A standard antihyperglycemic drug, glibenclamide, when administered at a dose of 10 mg per kg body weight, resulted in a drop of blood glucose level by 46.1%. The results suggest that the extract possess quite good antihyperglycemic activity and the stems could be used for further investigations towards isolation of possibly potent antihyperglycemic component(s). Antinociceptive activity of the extract was studied by induction of gastric pain in mice through intraperitoneal injection of acetic acid, which resulted in abdominal constrictions. The extract, when administered at the afore-mentioned four doses caused dose-dependent and statistically significant inhibitions in the number of abdominal constrictions. The percent inhibitions at doses of 50, 100, 200 and 400 mg extract per kg body weight were, respectively, 50.0, 53.3, 56.7, and 63.3. By comparison, a standard antinociceptive drug, aspirin, when administered at doses of 200 and 400 mg per kg body weight reduced the number of abdominal constrictions by 36.7 and 56.7%, respectively. The results suggest that the extract is more potent than aspirin in its antinociceptive potential and could be used for alleviation of pain. Studies are ongoing for isolation and identification of the responsible antinociceptive component(s) from stems.
Direct observation of aluminium guest ions in the silicate phases of cement minerals by 27 Al MAS NMR spectroscopy

The principal mineral phases in Portland cements are the impure forms of the calcium silicates, Ca3SiO5 and Ca2SiO4, known as alite and belite, in which the silicates are modified in composition and crystal structure by incorporation of guest ions such as Mg2+, Al3+ and Fe3+. This work reports the first direct evidence for guestion substitution in alite and belite by the observation of Al substitution employing 27Al magic-angle spinning (MAS) NMR. For both minerals Al3+ is observed to substitute for Si4+ and it is shown that 27Al MAS NMR can be used to quantify the amounts of Al substitution in the silicate phases of ordinary Portland and oilwell cements at levels well below 1 wt. %. The 27Al quadrupole coupling parameters and isotropic chemical shift (δ) have been determined for the unique Al guest-ion site in belite, which exhibits the most deshielded chemical shift (δ= 96.1) yet reported for a tetracoordinated Al bonded to four oxygens.
Stereodynamics of O(3P) +H2 at Scattering Energies of 0.5, 0.75, and 1.0 eV

Quasiclassical trajectory calculation of the title reaction O(3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 13A has been done. Distribution P(θr) of polar angles between the relative velocity k of the reactant and rotational angular momentum vector j' of the product, distribution (Pr) of the azimuthal as well as dihedral angles correlating k-k'-j', 3-dimensional distribution, and polarization-dependent differential cross sections (PDDCSs) dependent upon the scattering angle of the product molecule OH between the relative velocity k of the reactant and k' of the product at different scattering energies of 0.5, 0.75, and 1.0 eV are presented and discussed.
Mechanical Characterization of Protein Crystals

The mechanical properties (critical stress intensity factor, hardness and Young's modulus) of 4 crystalline materials (two proteins, lysozyme and glucose isomerase and two non‐proteins, glutamic acid and potassium sulphate) were measured with an indentation technique. It was found that the mechanical properties of lysozyme crystals depend on their state – dried, partly dried and moisture saturated – and their surroundings. The hardness, Young's modulus and the critical stress intensity factor of lysozyme crystals were observed to be much lower than those for the tested non‐proteins, leading to the conclusion that crystalline lysozyme is comparatively more fragile and softer. In combination the mechanical properties of lysozyme and the non‐proteins indicated that these materials were fairly brittle. Mechanical properties for crystals of the other protein, glucose isomerase, could not be quantified by indentation. However, qualitatively crystalline glucose isomerase was found to be more ductile and less fragile than crystalline lysozyme. The experimental findings were interpreted in terms of relative susceptibility to attrition and secondary nucleation in stirred industrial crystallizers.
Measurement of the wettability of organic materials in relation to water content by the capillary rise method

A new measuring technique based on a capillary rise method has been developed to quantify the wettability of more or less decomposed peats (the main materials used as horticultural growing media) in relation to their water content. A preliminary study of their physico‐chemical and biochemical characteristics enabled us to study the variation of their physical properties (particularly their rewetting capacity) in relation to their degree of decomposition. Analysis of these physical properties during two drying and rewetting cycles showed that the greater their degree of decomposition, the greater and more irreversible was their shrinkage. The change from hydrophilicity to hydrophobicity was measured by the increase of the water contact angle during desiccation and by the progressive change from bipolar to apolar surfaces. A strong correlation between the water retention of peats (related to their degree of decomposition) and their free energy (also called hydration energy) at the interface between solid and water ΔGSW is also shown.
Photosensitized Reduction of Carbon Dioxide in Solution Using Noble-Metal Clusters for Electron Transfer

Abstract Carbon dioxide was reduced to methane by visible-light irradiation of a solution composed of tris(bipyridine)ruthenium(III) as photosensitizer, ethylenediaminetetraacetic acid disodium salt as sacrificial reagent, methyl viologen as electron relay, and a colloidal dispersion of polymer-protected noble-metal clusters, prepared by alcohol-reduction, as catalyst. Among the noble-metal clusters examined, Pt clusters showed the highest activity for the formation of methane as well as hydrogen. In order to improve the activity, oxidized clusters and bimetallic clusters were also applied. For example, the CH4 yield in 3-h irradiation increased from 51 x 10-3 μmol with unoxidized Pt clusters to 72 x 10-3 μmol with partially oxidized ones. In the case of Pt/Ru bimetalic systems, the improvement of the catalytic activity by air treatment was much greater than in case of monometallic clusters.
Moduli of abelian varieties and p-divisible groups : Density of Hecke orbits, and a conjecture by Grothendieck

Conference on Arithmetic Geometry, Gottingen 17 July - 11 August 2006. In the week 7 – 11 August 2006 we give a course, and here are notes for that course. Our main topic will be: geometry and arithmetic of Ag ⊗Fp, the moduli space of polarized abelian varieties in positive characteristic. We illustrate properties of these topics, and available techniques by treating two topics: Density of ordinary Hecke orbits and A conjecture by Grothendieck on deformations of p-divisible groups.
Response surface optimisation for the extraction of phenolics and flavonoids from a pink guava puree industrial by‐product

Pink guava puree industry produces huge amount of by-products that have potential as sources for polyphenols. Response surface methodology was implemented to optimise the extraction conditions for phenolics (Y 1 ) and flavonoids (Y 2 ) from a by-product of the guava industry. A three-factor inscribed central composite design was employed to determine the effects of three independent variables, namely pH (X 1 : 2-6), temperature (X 2 : 40-60 °C) and time (X 3 : 1-5 h), on the response variables. The corresponding predicted values for phenolics and flavonoids were 336.30 and 427.35 mg 100 g ―1 , respectively. Predicted values for extraction rates of phenolics agreed well with experiment values; R 2 of 0.902. However, the model derived for flavonoids extraction was less reliable; R 2 of 0.983. Increase in time and temperature was found significant in increasing the extraction rate. The optimum conditions for extracting phenolics by ethanolic solvent occurred at a pH of 2 and 60 °C for a 5-h extraction.
Ratio of decrement to modulus change for amplitude-dependent internal friction

The ratio r of the amplitude-dependent decrement δ h to the amplitude-dependent modulus defect ΔM/M has been analyzed within the framework of theories of dislocation hysteresis based on both the breakaway Granato-Lucke model and the symmetrical pointed loop frictional model. In the particular case of power laws with the same exponent n for both the decrement and modulus defect: δ h = r(ΔM/M)? σ o k , analytical expressions for the relationship between r and n have been derived. The theoretical requirements have been compared with the available experimental data. The use of r for identifying the mechanism of dislocation hysteresis is demonstrated.
Electron Transfer Processes between Hydrogen Sulfide and Humic Substances - Implications for Anaerobic Sulfur Cycling in Freshwater Ecosystems

The reactivity of natural dissolved organic matter (DOM) towards sulfide and has not been well studied with regard to electron transfer, product formation and kinetics. We thus investigated the abiotic transformation of sulfide upon reaction with reduced and non-reduced Sigma Aldrich humic acid (HA), at pH 6 under anoxic conditions. Sulfide reacted with non-reduced HA at conditional rate constants of 0.227~0.325 h. The main transformation products were elemental S (S), and thiosulfate (S2O3), yielding electron accepting capacities of 2.82~1.75 μmol e (mg C) . Native iron contents in the HA could account for only 6~9% of this electron transfer. About 22~37 % of S reacted with the HA to form organic S (Sorg). Formation of Sorg was observed and no inorganic transformation products occurred for reduced HA. X-ray absorption near edge structure (XANES) spectroscopy supported Sorg to be mainly zerovalent, such as thiols, organic diand polysulfides, or heterocycles. In conclusion, our results demonstrate that HA can abiotically re-oxidize sulfide in anoxic environments at rates competitive to sulfide oxidation by molecular oxygen or iron oxides.
SYNTHESIS AND STRUCTURAL SYSTEMATICS OF NITROGEN BASE ADDUCTS OF GROUP 2 SALTS. I. SOME ADDUCTS OF GROUP 2 HALIDES WITH ACETONITRILE

Recrystallization of anhydrous Group 2 halides from anhydrous acetonitrile has yielded, in a number of cases, adducts MX2.nMeCN suitable for characterization by room-temperature single-crystal X-ray studies, which revealed novel stereochemical types. Magnesium(II) bromide yields a trisolvate, ionic with disproportionated ligand arrays, as [Mg(NCMe)6][MgBr4] (1), an unusual combination of homoleptic cationic and anionic species. Crystals are triclinic, Pī , a 19.129(1), b l6.870(8), c 8.737(7) Ǻ,α 83.96(3), β 87.93(4), γ 65.24(2)°, Z=4 f.u . ; R was 0.068 for N o 3181 'observed' (I > 3σ(I)) reflections. Mg-N are 2.12(2)-2.18(2) Ǻ, and Mg-Br are 2.452(7)-2.481(6) Ǻ. Calcium(II) bromide, by contrast, yields a disolvate , an infinite polymer, with the two MeCN ligands trans in a quasi-octahedral coordination sphere, and the polymer comprising a . Ca(μ-Br)2Ca(μ-Br)2. linear array. Crystals of 1:2 CaBr2/MeCN (2) are orthorhombic, Pbam , a l4.252(3), b 8.539(2), c 4.2088(6) Ǻ, Z=2 f.u . ; R 0.043 for N o 352. Ca-N is 2.46(1) Ǻ, and Ca-Br 2.8765(9) Ǻ. CaI2 and SrI2 yield pentasolvates as neutral, molecular species [( MeCN )5MX2] (3) and (4), with the halides trans in a pentagonal bipyramidal coordination sphere. They are isomorphous . orthorhombic, Pcab , a ≈ 18.4, b ≈ 14.6, c ≈ 14.3 Ǻ, Z = 8 f.u . ; R were 0.042 and 0.059 for N o 2297 and 1489 respectively. Ca-I are 3.132(2), 3.116(2) Ǻ and Sr -I are 3.265(3), 3.238(3) Ǻ, while Ca-N are (range) 2.518(8)-2.566(8) Ǻ and Sr -N 2.68(2)-2.73(2) Ǻ.
Utility of Multivariate Analysis in Modeling the Effects of Raw Material Properties and Operating Parameters on Granule and Ribbon Properties Prepared in Roller Compaction

This article aimed to model the effects of raw material properties and roller compactor operating parameters (OPs) on the properties of roller compacted ribbons and granules with the aid of principal component analysis (PCA) and partial least squares (PLS) projection. A database of raw material properties was established through extensive physical and mechanical characterization of several microcrystalline cellulose (MCC) and lactose grades and their blends. A design of experiment (DoE) was used for ribbon production. PLS models constructed with only OP-modeled roller compaction (RC) responded poorly. Inclusion of raw material properties markedly improved the goodness of fit (R2 = .897) and model predictability (Q2 = 0.72).
Crystalline Properties and Strain Relaxation Mechanism of CVD Grown GeSn

In this contribution, we discuss the crystalline properties of strained and strain-relaxed CVD-grown GeSn layers with Sn content in the range 6.4–12.6 at. %. A positive deviation from Vegard’s law was observed and a new experimental bowing parameter was extracted for GeSn: bGeSn = 0.041 A (in excellent agreement with recent theoretical predictions). The GeSn critical thickness for strain relaxation as a function of Sn concentration was determined, resulting in significantly higher values than those predicted by equilibrium models. A composition-dependent strain relaxation mechanism was also found, with the formation of an increasing density of GeSn pyramidal islands in addition to misfit dislocations at lower Sn concentration.
Extended D2CO emission: The smoking gun of grain surface-chemistry

We present new observations of the H2CO and D2CO emission around IRAS16293-2422, a low mass protostar in the Ophiuchus complex. Bright H2CO and D2CO emission is detected up to 40 00 from the center, corresponding to a linear distance of5000 AU. The derived H2CO abundance prole has two jumps atr 150 AU and r 700 AU, where the dust temperature reaches 100 K and 50 K respectively. The measured (D2CO)/(H2CO) abundance ratio in the envelope is between 0.03 and 0.16, an extremely high value. We demonstrate that the present new observations can only be explained if the D2CO (and H2CO) are formed during the previous cold pre-collapse phase, stored in the grain mantles, and released in the gas phase during the pre-collapse phase. We consider the two main competing theories for mantle formation, i.e. pure accretion against grain surface chemistry, and we conclude that the former theory cannot explain the present observations, whereas grain active chemistry very naturally does. We found that the mantles are evaporated because of the thermal heating of the grains by the central source and that in the outer cold envelope H2CO and D2CO molecules are embedded in CO-rich mantles which sublimate when the dust is warmer than 25 K. Finally, the present day H2CO and D2CO abundances very probably reflect the mantle composition. We argue that mantles have likely formed in an onion-like structure with the innermost ice layers more enriched in H2CO molecules and we give estimates of the CO hydrogenation eciency across the envelope and/or in dierent ices.
Antioxidant diffusion in polyethylene hot‐water pipes

This paper presents oxidation induction time (OIT) data for samples taken from a range of polyethylene hot-water pipes before and after hydrostatic pressure testing with internal stagnant water and external air. Linear relationships between OIT and antioxidant concentration were established for the antioxidants/polymers used. A model assuming Fickian diffusion of the antioxidant to the surrounding media and chemical consumption of the antioxidant (Regime B model) was applied to the OIT-profile data. The Regime B model was successfully applied to OIT-profile data except for in the case of a pipe with a substantial scatter in the OIT data, indicative of compositional heterogeneity. The choice of initial conditions for the modeling was critical. The use of initial conditions based on insufficiently exposed pipes led to an overestimate of the diffusivities caused by the combined action of Regimes A (internal precipitation) and B loss mechanisms. The time period associated with Regime A constituted up to 25% of the lifetime for the pipes studied. Antioxidants with sterically accessible polar groups showed a higher melting point and greater interaction with dissolved water and carbon black. Obtained radial dependences of the antioxidant diffusivities (D) indicate that the water concentration in the polymer influenced D primarily through cluster formation involving water and antioxidant molecules and by competition between water and antioxidant molecules about adsorption sites on carbon black particles and to a much lesser extent by plasticization. Antioxidant concentration profiles calculated for the failure time interval in pressure testing appeared in the same concentration range, and fracture initiation occurs in the regions in the pipe wall first reaching depletion of the antioxidant system.
Thermal, Spectral, Fluorescence, and Antimicrobial Studies of Cobalt, Nickel, Copper, and Zinc Complexes Derived from 4-[(5-Bromo-thiophen-2-ylmethylene)-amino]-3-mercapto-6-methyl-5-oxo-[1,2,4]triazine

A new series of cobalt, nickel, copper, and zinc complexes of bidentate Schiff base derived from the condensation of 5-bromothiophene-2-carboxaldehyde with 4-amino-3-mercapto-6-methyl-5-oxo-[1,2,4]triazine were synthesized. Physical (magnetic measurements, molar conductance, TG), spectral (UV-Vis, IR, 1HNMR, fluorescence, ESR), and analytical data have established the structures of synthesized Schiff base and its metal complexes. The presence of coordinated water in metal complexes was confirmed by IR and TG studies. The Schiff base exhibits a strong fluorescence emission, contrast to this partial fluorescence quenching phenomena is observed in its metal complexes. A square planar geometry for Cu(II) and octahedral geometry for Co(II), Ni(II) and Zn(II) complexes have been proposed. The Schiff base and its metal complexes have been screened for antibacterial (Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa) and antifungal activities (Aspergillus niger, A. flavus).
Environmental fate of nonylphenol ethoxylates: Differential adsorption of homologs to components of river sediment

Nonylphenol ethoxylate (NPEOx) homologs present in commercial mixtures were rapidly adsorbed to and desorbed from native river sediment. Adsorption isotherms, established using high‐performance liquid chromatography analysis to monitor individual homologs NPEO3 to NPEO13 simultaneously, were linear for each component adsorbing to native sediment, organic‐free sediment, and kaolinite, usually with small positive intercepts on the isotherms indicating an additional low‐capacity, high‐affinity binding site. The adsorption partition coefficients (Kd) for the native sediment decreased progressively from 1,460 L/kg for NPEO3 to 450 L/kg for NPEO10, then increased again slightly for higher homologs. In contrast, Kd values for organic‐free sediment (range 230–590 L/kg) or kaolinite (190–490 L/kg) increased steadily from NPEO3 to NPEO13. Adsorptions to silica and alumina were very weak, but to sewage sludge all components adsorbed strongly (Kd values 12,000–33,000, with a maximum at NPEO7). The adsorption to sewage sludge was related to the low‐capacity, high‐affinity sites observed for native sediment. Dependence of Kd values on ethoxylate chain length was analyzed, in terms of both possible adsorption mechanisms, and the environmental fate and impact of NPEOxs as endocrine disruptors.