Miracle-dz/UniFAR-FTUs huggingface dataset:
A simplified incubation method using chip‐trays as incubation vessels to identify sulphidic materials in acid sulphate soils

Acid sulphate soils (ASS) can pose a significant hazard to natural ecosystems and developed areas situated within ASS landscapes. Management techniques used to minimize these hazards rely on methods that can classify ASS materials. These methods have traditionally required complex and time‐consuming techniques. A new simplified incubation method, modified from existing ones, was therefore developed to classify ASS materials in a timely manner. The simplified incubation method was found to be a viable alternative where samples cannot be incubated to a stable pH because of logistical or time constraints, but where there is still a need to classify slowly acidifying sulphidic materials. The use of chip‐trays as incubation vessels was also examined. Chip‐trays offer many advantages in terms of transport, storage and analysis of soil samples compared with soil‐slabs. This study establishes an acceptable level of precision ( ± 0.1 pH units with 95% confidence) for pH measurements in the incubation method and confirms that an acceptable level of precision is obtainable when using chip‐trays in the pH incubation method.
Rejection of nutrients contained in an anaerobic digestion effluent using a forward osmosis membrane

AbstractThe possibility of applying a forward osmosis (FO) membrane filtration process for the post-treatment of an anaerobic membrane bioreactor (AnMBR) was investigated in this study. The FO membrane filtration test, using a surrogate AnMBR effluent prepared by supernatant obtained from a real anaerobic digester, demonstrated excellent rejection of phosphate ions. On the other hand, the rejection of ammonium ions was moderately effective and depended heavily on the operating conditions of the FO membrane (e.g. orientation of the FO membrane) solute concentration in the draw solution (DS) and ammonium ion concentration in the feed solution (FS). The flux of ammonium ions across the FO membrane decreased as the solute concentration in the FS increased. The reverse solute flux from the DS to FS also increased as the solute concentration in the DS increased. The above-mentioned trend was particularly remarkable in the FO filtration with an active layer facing DS (AL-DS) orientation, in which the reverse sol.
Effect of hydration of the TiO2 anatase (101) substrate on the atomic layer deposition of alumina films

We have studied the initial processes of atomic layer deposition (ALD) of Al2O3 on TiO2 anatase (101) with density functional theory (DFT) calculations. Our ab initio thermodynamics results predict that, at typical ALD conditions, the initial substrate is almost completely dehydrated, with water being adsorbed only near defects. We show that the first ALD half-reaction, i.e. the adsorption of trimethylaluminium (Al(CH3)3, TMA), presents a positive Gibbs free energy. The proximity of water at defect sites can considerably stabilise the interaction by elimination of one or two methyl groups. Water molecules thus serve as nucleation seeds for the growth of the overcoating. The island growth mode found in experiments is then attributed to an incomplete hydration of the substrate.
Gastrointestinal magnification : the mechanism of biomagnification and food chain accumulation of organic chemicals

Dietary bioaccumulation experiments with chlorobenzenes, PCBs, and mirex in guppies and goldfish are presented. The results demonstrate that, in the gastrointestinal tract of fish, the fugacity of very hydrophobic, nonmetabolizable chemicals (log Kow > 6) is elevated above the fugacity in the consumed food as a result of food digestion and absorption. Observed fugacities in fecal matter were up to 4.6-fold greater than the fugacity in the administered food. Fecal to food fugacity ratio ranged between 0.07 and 4.6 in guppies and between 0.014 and 4.5 in goldfish and increased with increasing Kow. Food digestion in the gastrointestinal tract was found to increase the chemical fugacity in the food 5-fold by altering the fugacity capacity of the food. An additional 2-3-fold increase in the chemical concentration and fugacity in the gastrointestinal tract is due to food absorption from the gastrointestinal tract. The findings support the “digestion” hypothesis as being the driving force of the biomagnification and food chain accumulation of hydrophobic organic chemicals. The study further illustrates the application of static head-space analysis to measure chemical fugacities in food and fecal samples.
Reinvestigation of the tautomerism of some substituted 2-hydroxypyridines

The tautomerism of some substituted 2-hydroxypyridines is investigated by UV/Vis- and 1 H-, and 13 C- NMR spectroscopic methods, with the aid of the N-Me and O-Me fixed parents. NMR spectroscopic data do not allow discrimination between the two tautomeric forms (with the exception of the unsubstituted 2-hydroxypyridine), while UV/Vis- data permit the quantitative determination, in different solvents, of the amounts of the two forms. The electronic substituent effect and the change of solvent are discussed. An X-Ray diffraction study carried out on a crystal of 2-hydroxy-5-nitropyridine (7) reveals that this compound, in the solid state, is in the oxo-form.
Error in 2π from single-crystal diffractometers due to sample absorption in a divergent primary beam

The primary-beam divergence of an X-ray four-circle diffractometer is the source of an error in the measured scattering angles from absorbing single crystals. A correction for this error is included in a least-squares program for lattice-constant determination. It is shown with ~-LilO3 as an example that both accuracy and precision are enhanced. The 20 corrections are typically as large as 0.03 ~ for a spherical crystal with pR = 1-5 and R = 0" 15 mm. The results indicate an obtainable accuracy of about 0.02% in lattice constants even if/~R > 1.
DEVELOPMENT OF MATRIX DIFFUSION CONTROLLED DRUG DELIVERY SYSTEM OF PENTOXIFYLLINE

Background: P entoxifylline, a theobromine derivative is used in the treatment of patients with intermittent claudification due to chronic peripheral artery disease at usual dose of 400mg, thrice a day. Objective: In the present paper, controlled release matrix formulations of pentoxifylline were prepared with an objective to achieve development of less expensive once a day formulation using natural polymers with better control of release. Materials and methods: Diffusion controlled matrix system of Pentoxifylline was prepared by using swellable polymers like Hydroxypropyl methyl cellulose (HPMC), Eudragit (Eudragit RS30D) as synthetic and Sodium alginate, Guar gum (Dealca P‐225) as natural polymers using wet granulation technique. Combination formulations of these polymers were also tried. Results: HPMC formulations showed very high dissolution rate releasing 70% of drug within 2 hrs but its combination formulation with Eudragit showed low dissolution rate of 0.14 hr ‐1. Sodium alginate did not show controlled drug release pattern. Eudragit and Guar gum formulations showed low dissolution rates indicating controlled release pattern of drug but their combination formulation showed high dissolution rate of 0.73 hr ‐1. Taking into consideration all the parameters, Eudragit and Gu ar gum (Dealca) individually were found to be the most suitable polymers for pentoxifylline controlled release formulations. Their release profile followed first order release kinetics in Higuchian diffusion fashion. Conclusion: The developed matrix diffusion controlled Pentoxifylline tablet using either Eudragit or Guar gum can be administered once a day with better control of drug release. Guar gum formulation was relatively inexpensive due to use of natural polymers.
Hierarchical vertically oriented graphene as a catalytic counter electrode in dye-sensitized solar cells

Vertically oriented graphene (VG) nanosheets are synthesized for counter electrodes (CEs) of dye-sensitized solar cells (DSSCs). The VG electrode exhibits charge transfer resistance about 1% of the Pt electrode and improves power conversion efficiency of DSSCs from 4.68% (for Pt CEs) to 5.36%.
Structures and Stabilities of Adsorbed Proteins

Structural perturbations and thermodynamic-stability changes in two similar-sized globular proteins, hen egg-white lysozyme and bovine milk α-lactalbumin, upon physical adsorption to either microspheres of a negatively charged polystyrene (PS-) latex or a dispersion of variably charged hematite (α-Fe2O3) are determined from differential scanning microcalorimetry (micro-DSC), isothermal titration microcalorimetry, and more conventional electrophoretic-mobility and adsorption-isotherm data. Heat of adsorption data at pH 7 for α-lactalbumin on PS- indicate that adsorption is driven by entropic forces. Differential heat capacity data indicate that sorbent and protein-surface dehydration provide a substantial entropic driving force for adsorption. Both proteins are largely denatured on the hydrophobic PS- surface. In contrast, lysozyme loses only a fraction of its ordered secondary structure when adsorbed to α-Fe2O3 while α-lactalbumin denatures almost completely upon adsorption to this hydrophilic surface. This latter difference in adsorbed-state structures is consistent with the significantly larger native-state structural stability of lysozyme as measured by micro-DSC. Kinetic analysis of adsorbed-protein micro-DSC data suggests that adsorbed lysozyme maintains a relatively high internal cohesion.
High Precision Method for the Determination of Ethyl Carbamate in Cachaça by HRGC-MS

HRGC-MS-SIM was used for determination of ethyl carbamate in commercial cachaca by a simple, fast and reliable technique for direct analysis, without the previous stage of extraction of the analyte of interest. The quantification technique used was the internal standardization with ethyl carbamate-d5. The following validation parameters were evaluated: Limit of Detection, Limit of Quantification, Linearity, Repeatability, Reproducibility, Accuracy and Uncertainty. The contributions that influenced the uncertainty in a great extent came from the repeatability and the accuracy. The characterization of the uncertainty sources and the ethyl carbamate determination, allowed Inmetro to certify its Certified Reference Material (CRM) for contaminants in cachaca.
On non-ergodic versions of limit theorems

Summery. The autho r investigates non e r godic ve r sions of seve r al well known limit theo r ems fo r st r ictly stationa r y p r ocesses. In some cases, the assumptions which a r e given with respect to general invariant measu r e, gua r antee the validity of the theo r em with respect to ergodic components of the measure. In other cases, the limit theo r em can fail fo r all ergodic components, while for the original invariant measu r e it holds.
Stability & Fluorescent Studies of the Coloring Content of Flowers of

Crocin is important commercially significant constituent of saffron, which is a Carotenoid glycoside (coloring compound). Crocin present in Nyctanthes arbor-tristis flowers will be of great significance. Herein, we studies to elucidate the stability and fluorescence property of Crocin by using different solvents including water extract of the flowers by spectroscopy and fluorimetry methods respectively. The compound seems to be fairly sensitive to sunlight, and ethanol /methanol extracts are more stable.
Factors Associated with Under Corrected Refractive Errors in an Older Population

Background: Recent studies have shown severe impact of visual impairment in elderly population in the form of falls, fractures, poor mobility, general health, morbidity and mortality. Visual acuity can be improved by correcting the refractive errors. Therefore, the present study was designed to study the demographic and visual acuity related factors associated with undercorrected refractive error. Subjects and Methods: The present study included 1236 randomly selected subjects of 50 years and above age group. Among them 1000 subjects were included in the study. Logarithm of the minimum angle of resolution chart was used for measuring visual activity. The chart was read at 8 feet and retro illuminated with automatic calibration to 85 cd/m 2 . Initially visual acuity was assessed with the subject’s current glasses, if worn . Then using a Humphrey 530 Automatic Refractor an objective refraction was performed on all participants. Results: Among all the study participants 230 patients showed visual acuity <45 letters (6/9 or worse) while there were 110 participants with under corrected refractive error (using the two line criterion). Hyperopia was very common among undercorrected refractive error subjects with p value <0.05. In contrast, no association was found between undercorrected refractive error and myopia (p>0.05). Time duration since last examination was directly relation between incidence of undercorrected refractive error in our study population with p value >0.05. Subjects who stated that they had worn distance glasses in the past were less likely to have undercorrected refractive error (OR 0.20; 95% CI 0.19 to 0.38; p>0.05). Conclusion: Findings of the present study demonstrated that prevalence of undercorrected refractive error is high in elderly population. Further, results of our study showed that aging, hyperopia, socioeconomic status and isolation were directly related to the undercorrected refractive error in elderly population. These undercorrected refractive errors can be corrected to some extent by using distance glasses in elderly population. These findings of our study might be helpful for the ophthalmologist recognising the risk factors and their consequences on visual acuity of elderly population.
Extra‐Large‐Pore Zeolites with UTL Topology: Control of the Catalytic Activity by Variation in the Nature of the Active Sites

The catalytic behavior of isomorphously substituted B‐, Al‐, Ga‐, and Fe‐containing extra‐large‐pore UTL zeolites was investigated in the acylation of p‐xylene with benzoyl chloride and Beckmann rearrangement of 1‐indanone oxime. The clear synergism between the Brønsted acidity (i.e., the concentration and the strength of protonic acid sites) of UTL catalysts and their activity in benzoylation was established. (Ga)UTL zeolite containing the Brønsted acid sites of medium strength is characterized by the optimum activity and selectivity in the benzoylation of p‐xylene. Because of a higher accessibility of active centers, (Al)UTL zeolite appears to be a more active and selective catalyst than (Al)BEA in the benzoylation of p‐xylene. In contrast to (B), (Ga), and (Al)UTL, the leaching of active sites occurs in the benzoylation over (Fe)UTL. All UTL zeolites showed 100 % selectivity in the Beckmann rearrangement of 1‐indanone oxime, which provides the target 3,4‐dihydroquinolin‐2(1H)‐one. (B) and (Fe)UTL zeolites containing the weakest acid centers were found to be more active in the Beckmann rearrangement of 1‐indanone oxime than (Ga) and (Al)UTL: 100 % yield of the target amide was achieved in 240 min of the reaction time over (B) and (Fe)UTL.
MONOMER STILBENOID GLUCOSIDES FROM Vatica pauciflora AND Vatica lowii (DIPTEROCARPACEAE)

Phytochemical studies on the woods of Vatica pauciflora and Vatica lowii have been conducted. The woods of V. pauciflora were extracted with methanol by using Soxhlet apparatus while the woods of V. lowii were extracted with acetone at room temperature. The methanolic extract of V. pauciflora was semi-purified by using vacuum liquid chromatography (VLC) and further purified by high performance liquid chromatography (HPLC) to obtain a pure compound (1) . The same technique of semi-purification has been employed on V. lowii acetone extract which was further purified by radial chromatography to give a pure compound (2) . Based on the UV, IR, NMR and mass spectral data, the isolated compounds were characterized as (-)- cis -resveratrol-10- C -b-D-glucopyranoside and (-)-piceid respectively.
Water-medium isomerization of homoallylic alcohol over a Ru(II) organometallic complex immobilized on FDU-12 support

A novel Ru(II) organometallic catalyst with highly ordered cage-like mesoporous structure was prepared by coordinating the Ru(II) with the PPh2-ligand incorporated into the FDU-12 support (Ru–PPh2-FDU-12). During water-medium isomerization of 1-phenyl-3-buten-1-ol, the Ru–PPh2-FDU-12 exhibited almost the same activity and selectivity as the corresponding RuCl2(PPh3)3 homogenous catalyst and could be used for at least 5 repetitions, showing good potential for industrial application. The excellent performance of the Ru–PPh2-FDU-12 could be attributed to the high and uniform dispersion of the Ru(II) active sites on the FDU-12 support, the large size of both the pore entrance and pore cages, which facilitated the diffusion, the adsorption and the transformation of organic substrates on the catalyst surface. The decrease in the activity of the Ru–PPh2-FDU-12 after being used for 5 times could be mainly attributed to the decrease in the pore entrance size and the pore cage size rather than the leaching of the Ru(II) active species from the FDU-12 support.
An accurate semi‐empirical equation for sputtering yields I: for argon ions

An analysis has been made of the historical data for argon ion sputtering yields of 28 mono‐elemental solids in the energy range 250–10 000 eV to develop an improved semi‐empirical formula based on Matsunami et al.'s and Yamamura and Tawara's formulations. The best result is found if an essential component involving the target density is included in Matsunami et al.'s approach. The scatter between the predictions and the experimental data is reduced to 9.0% by generating an analytical expression for the term Q that requires none of the target‐specific numbers from special look‐up tables of the type used by Matsunami et al. and Yamamura and Tawara. For elements other than the 34 elements for which Q values are tabulated, the new Q values range up to a factor of 5 from the default value that they recommend.
DEVELOPMENT AND CHARACTERIZATION OF KETOROLAC TROMETHAMINE (KT) OROBUCCAL FILMS

Ketorolac Tromethamine (KT) is a potent non steroidal anti-inflammatory analgesic drug is characterized by gastrointestinal (GI) side effects. KT orobuccal films (OBFs) were developed to either chew (oro) or to be localized delivery of medicinal agent to a specific site in the buccal cavity (buccal), thus reduce GI side effects and improve the drug bioavailability. Twenty seven KTOBFs were prepared by solvent casting technique using hydroxy propyl methyl cellulose (HPMC), sodium carboxy methyl cellulose (SCMC), Ethyl cellulose (EC), Eudragit RL100, Lutrol F127, and Carbopol 934 in combinations of these polymers (9:1 to 5:5) using HPMC as a basic polymer. Drug polymer interactions were investigated using Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). KTOBFs were evaluated for film appearance, thickness, weight, drug content, surface pH, tensile strength, percent elongation, moisture absorption capacity, mucoadhesion force, in vitro drug release and stability study. FTIR and DSC patterns showed no interaction between drug and polymers which were used. KTOBFs showed acceptable film thickness, weight, surface pH, moisture absorption capacity, elasticity, mucoadhesion and drug content. HPMC appeared to improve the properties of the films, affecting the bioadhesiveness and increasing elasticity. SCMC, Eudragit RL 100, and Lutrol F127 as co-polymers with HPMC improved the properties of KTOBFs rather than EC and Carbopol 934 in terms of elasticity, mucoadhesion, and in vitro drug release. Stability study for KTOBFs showed no change in properties during 10 months storage at room temperature. This study is a promising issue for developing KTOBFs. KTOBFs have rapid onset of action and improve patient compliance due to their small size and reduced thickness compared to lozenges and tablets.
Contribution of leaf orientation and leaf physiology to the maximization of plant carbon gain

(1) Center for Forest Research (CFR), Biology Department, Université du Québec à Montréal, Montreal, QC, Canada, posada.juan@courrier.uqam. ca (2) The Finnish Forest Research Institute, Vantaa Research Unit, Vantaa Unit, PL 18, FI-01301, Vantaa, Finland, (3) Sciences Biologiques, Université du Québec à Montréal, 141 Président Kennedy, C.P. 8888, Montréal, QC H3C3P8, Canada, Department of Forest Ecology, University of Helsinki, Latokartanonkaari 7, (P.O. BOX 27), FIN-00014 University of Helsinki, Helsinki, Finland
Band offsets and work function control in field effect transistors

The article summarizes the development of metal gate materials and the control of the effective work function on high dielectric constant (high K) oxides for use in advanced Si field effect transistors. The Schottky barrier heights of metals on HfO2 are calculated accurately for ideal interfaces of various stoichiometries and for interfaces with defects.
ENHANCED SUPERCAPACITIVE PERFORMANCE OF NANOCRYSTALLINE Mn3O4 SYNTHESIZED BY HYDROTHERMAL METHOD

Mn 3 O 4 nanoparticles have been successfully synthesized by a simple hydrothermal method at low temperatures. The processing conditions such as reaction temperature and time were optimized to synthesized phase pure nanocrystalline Mn 3 O 4 with good electrochemical properties. The particles synthesized at a reaction temperature of 150°C for 12 h exhibited different characteristic peaks along with (211) predominant orientation which corresponds to tetragonal structure of Mn 3 O 4 with space group I4 1 /amd (141) and estimated crystallite size of 32 nm. The SEM analysis reveals that the octahedral shape of grains with an average grain size of 180 nm. The vibrational studies from Raman and FTIR measurements confirmed the microstructure and presence of Mn-O bonding. The conductivity of the product was increased with increasing temperature following the Arrhenius behavior with estimated activation energy of 0.37 eV. The supercapacitive performance of nanocrystalline Mn 3 O 4 octahedrons in 1M Na 2 SO 4 aqueous electrolyte exhibited a high specific capacitance of 348 Fg -1 at current density of 0.5 mAcm -2 and 70% capacitive retention even after 4000 cycles.
Physicochemical Properties of Indomethacin and Related Compounds Co-Spray Dried with Polyvinylpyrrolidone

AbstractThe spray drying of indomethacin produced a viscous liquid phase which then solidified to an amorphous glassy solid mass. This amorphous phase was physically unstable and converted on storage to crystalline indomethacin forms II and I. Co -spray drying indomethacin with up to 20% PVP also gave a fused amorphous solid. Apparent solubility and dissolution studies illustrated the higher energy of indomethacin in these systems. The presence of PVP in the solid retarded conversion of indomethacin to a crystalline phase, the effect increasing with increasing PVP content. Scanning electron microscopy revealed the growth, with time, of needle-like whiskers on the surface of the amorphous products. Co-spray drying indomethacin with more than 20% PVP resulted firstly in products composed of a fused network of spherical particles, then partially coalesced spheres and ultimately, above 25% PVP, in individual agglomerated microspherical particles. The spray drying of either naproxen, ketoprofen or ibuprofen di.
Nanostructured carbon electrodes

In its conducting form, carbon has proven to be a versatile, robust and high performing electrode material in areas such as energy conversion, energy storage and even medical bionics. In our laboratories we have been interested in the fabrication and utilization of nanostructured electrodes based on more recently discovered forms of carbon. These include carbon nanotubes and graphene.