Miracle-dz/UniFAR-FTUs huggingface dataset:
Temperature-Induced Phase Transition of Well-Defined Cyclic Poly(N-isopropylacrylamide)s in Aqueous Solution

Department of Chemistry and Faculty of Pharmacy,UniVersity of Montreal, CP6128 Succursale Centre Ville,Montreal, QC, Canada H3C 3J7, and Department ofPolymer Chemistry, Graduate School of Engineering, KyotoUniVersity, Katsura, Kyoto 615-8510, JapanReceiVed June 19, 2007ReVised Manuscript ReceiVed August 15, 2007The thermosensitivity of aqueous polymer solutions is thedriving force at work in various soft “intelligent” devices usedin biotechnology and nanotechnology.
Field validation of a decision support system for the control of pests and diseases in cereals in denmark

The decision in 1986, on an action plan to reduce pesticide use in Denmark by 50% led to increased research on the potential of reducing dosages. A decision support system (PC-Plant Protection), developed by The Danish Institute for Plant and Soil Science, implements this research. It combines a detailed use of threshold values to support decisions on treatment need, choice of pesticides and the appropriate dosage for actual problems in cereals. The pest and disease module within the system has been available commercially since 1993 and up to the end of April 1995, 2000 licences have been issued for its use at agricultural schools and by advisers and farmers. The recommendation model for pest and disease control has been validated in field trials since 1990. The validation has shown that the model is able to provide recommendations for the control of pests and diseases to a satisfactory level, without affecting farmers' gross margins. The model was able to adjust pesticide use to large yearly variations and the average amount of pesticides in the plots treated according to the model was well below that in the reference plots and in the commonly used strategies in Denmark.
Interfacial Tensions of the Crude Oil + Reservoir Brine + CO2 Systems at Pressures up to 31 MPa and Temperatures of 27 °C and 58 °C

An experimental technique is developed to measure the interfacial tensions of the crude oil + reservoir brine + CO2 systems at pressures from (0.1 to 31.4) MPa and two temperatures (27 and 58) °C using the axisymmetric drop shape analysis (ADSA) technique for the pendant drop case. The measured dynamic interfacial tension is gradually reduced to an equilibrium value. For both the reservoir brine + CO2 system and the crude oil + CO2 system, the equilibrium interfacial tension decreases as the pressure increases, whereas it increases as the temperature increases. For the reservoir brine + CO2 system, the interfacial tension data are not available at P ≥ 12.238 MPa and 58 °C because the pendant brine drop cannot be formed in the CO2 phase. However, for the crude oil + CO2 system, the equilibrium interfacial tension remains almost constant at P ≥ 8.879 MPa and 27 °C or at P ≥ 13.362 MPa and 58 °C. Under the same conditions, nevertheless, the equilibrium interfacial tension of the crude oil + reservoir brine +.
Stressed Corrosion of an Austenitic Stainless Steel Studied by Scanning Kelvin Probe Force Microscopy

Under the ambient temperature (25°C) and pressure (one Standard Atmospheric Pressure) conditions, surface Volta potential of an austenitic stainless steel was measured using the Scanning Kelvin Probe Force Microscopy (SKPFM) to study its stressed-related corrosion behavior in a 0.5 M chloride solution. In an oxygen and water regulated environment (using a glovebox), the steel shows a map of Volta potentials with high contrasts among the different grains and grain boundaries, which was then linked to the actual corrosion potential (w.r.t. a saturated calomel electrode) based on a rigorous calibration procedure. Corrosion behavior of the steel under tensile stress was then compared to that of the same sample under no tensile stress in light of the measured Volta potential, which was found to be sensitive to the level of applied tensile stress, although the tested stainless steel in general is known for its high corrosion-resident capability. According to this study, surface Volta potential measured by SKPFM can be used as a high-accuracy indicator for localized corrosion of steels.
Design of biodegradable nanoparticles: a novel approach to encapsulating poorly soluble phytochemical ellagic acid

Nanosizing of poorly water soluble drugs or incorporating them into nanoparticles to increase their solubility and thereby the bioavailability has become a favoured approach today. This work describes a novel method for encapsulating poorly water soluble phytochemical ellagic acid that is also sparingly soluble/insoluble in routine solvents used to prepare nanoparticles.
Characterization of silicon oxynitride thin films by x-ray photoelectron spectroscopy

There has been a considerable effort in the past decade to incorporate nitrogen into SiO2 in order to improve the electrical properties of ultrathin (2–10 nm) gate oxides. Process conditions affect the nitrogen concentration, coordination, and depth distribution which, in turn, affect the electrical properties. X-ray photoelectron spectroscopy (XPS) is particularly well suited to obtaining the nitrogen coordination and, to a lesser extent, the nitrogen concentration in thin oxynitride films. To date, at least four different nitrogen coordinations have been reported in the XPS literature, all having the general formula: N(–SixOyHz), where x+y+z=3 and x⩽3, y⩽1, z⩽2. In this article we review the XPS literature and report on a fifth nitrogen coordination, (O)2=N–Si, with a nitrogen 1s binding energy of 402.8±0.1 eV. Next nearest neighbor oxygen atoms shifted the N(–Si)3 peak roughly 0.1 eV per oxygen atom. We also discuss results from a novel approach of determining the nitrogen areal density by XPS, the acc.
Flavour characteristics of peanut cultivars developed for southwestern United States

Summary The main focus of many of the peanut breeding programs is to achieve agronomic improvements over existing cultivars. However, it is also important that desirable sensory characteristics of the peanut varieties are at least maintained during this process. The main objective of this study is to examine flavour characteristics of peanut cultivars developed through traditional breeding. Flavour and aroma evaluations were performed by a trained descriptive sensory panel and a gas chromatograph/mass spectrometer (GC/MS) equipped with an olfactory detector. The peanut samples were also analysed for their moisture, ash, protein, sugar and oil composition. Sensory analysis carried out by trained panellists showed that there were only minor differences among the peanut cultivars examined in this study. Florunner had high roasted peanut (5.13) and low total off-flavour (0.88) scores when rated on a zero to fifteen intensity scale. Results of the olfactory evaluation of the peanut cultivars support the sensory tests conducted on the same samples by trained panellists.
A review of the chemical, biochemical and antimicrobial aspects of Turkish Otlu (herby) cheese

Otlu (herby) cheese, a traditional Turkish dairy product, is commonly made in Eastern Anatolia in Turkey. It is consumed in the various parts of Turkey, especially in the eastern and southeastern parts. Its popularity has been increasing because of industrialization of its production. It is manufactured from raw milk, is salty in taste and has a herby intense aroma because of the added herbs. The unusual processing steps of the cheese are that it is firmly filled in a plastic cheese container and stored under the soil during ripening. The flavour becomes highly acceptable after 3 months of ripening. The most common herbs used in the cheese are wild garlic (Allium sp.) but other herbs (Ferula sp., Prangos sp., Thymus sp., Mentha sp., Chaerophyllum macropodum and Silene vulgaris) are also used individually or as appropriate mixtures. The herbs give the cheese its flavour, but also extend the shelf life of the cheese. The aim of this review was to outline the manufacture and chemical, biochemical and antimicrobial properties of Otlu herby cheese.
Substituent effects on 1H and 13C NMR chemical shifts in α‐monosubstituted ethyl acetates: principal component analysis and 1H chemical shift calculations

A principal component analysis is applied to α‐monosubstituted ethyl acetates (YCH2CO2Et), where the observed chemical shifts for the α‐carbon atom, the carbonyl carbon, and the α‐hydrogen atoms are correlated with theoretically derived molecular properties, i.e. the partial charges on the same atoms and the electronegativity and hardness. The effects on 1H and 13C NMR chemical shifts of 12 α‐substituents: F, Cl, Br, I, OMe, OEt, SMe, SEt, NMe2, NEt2, Me, and Et were investigated. A strong grouping of the same heteroatom substituents is observed, showing the chemical shift dependence on the type of substituent. Halogenated compounds represent a heterogeneous group, where the large effect of the fluorine substituent is similar to that of the oxygen derivatives (OMe and OEt). Theoretical calculations show that fluorine and oxygen derivatives exhibit similar energy curves with respect to the YCCO dihedral angle and the same conformational equilibrium between cis and trans rotamers. Sulfur, neutral substituents and halogen derivatives (Cl, Br and I) give an equilibrium between cis and gauche rotamers, with a predominance of the gauche conformers. The rotational equilibrium in solution was confirmed by 1H chemical shift calculations utilizing the CHARGE 7H program. The calculated α‐hydrogen atom chemical shifts are in very good agreement with the measured values. Copyright © 2002 John Wiley & Sons, Ltd.
24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses

It is known that ideal metallic glasses fully complying with the Hume-Rothery stabilization mechanism can be expressed by a universal cluster formula of the form [cluster](glue atom)1 or 3. In the present work, it is shown, after a re-examination of the cluster-resonance model, that the number of electrons per unit cluster formula, e/u, is universally 24. The cluster formulas are then the atomic as well as the electronic structural units, mimicking the ‘molecular’ formulas for chemical substances. The origin of different electron number per atom ratios e/a is related to the total number of atoms Z in unit cluster formula, e/a = 24/Z. The 24 electron formulas are well confirmed in typical binary and ternary bulk metallic glasses.
Grapevine productivity and yield components: A case study using field vines of Zante currant

Yield components of the parthenocarpic cultivar Zante were analysed for five vineyards of diverse age and management. The data was obtained as part of an experiment to improve fruit set and yield by applying combinations of gibberellin and 2-chloroethyltrimethyl ammonium chloride or 4-chlorophenoxyacetic acid. Four of the vineyards were located in the Brockman valley north of Perth, Western Australia, two of these were irrigated, one was rain fed and one received supplementary flood irrigation. The fifth lay in an adjacent area of coastal sand plain, at the foot of the Darling scarp, and was irrigated. The vines were aged from 6 to 50 years. Principal component analysis showed that vine age was negatively correlated with vigour (pruning weight) and with berry number per bunch. Vine age however was not strongly related to either yield or yield components (bunch number and berry volume). Sugar concentration was negatively correlated with all yield components but imprecisely modelled based on any combination of the measured variables. Berry number per vine appeared to be the underlying factor determining 'sink' strength though this was inextricably confounded with bunch number per vine. Interpretation of the data leads to the conclusion that increased berry volume is an inefficient means of increasing dried yield. This conclusion argues for caution in the application of plant growth regulators that act primarily to increase berry volume. Yield of sugar per vine was accurately modelled based on second order relationships with bunch number per vine, berry number per bunch, berry volume and pruning weight. Vine age also showed a second order relationship to yield although the range was relatively small. The observations are considered in terms of developing strategies for maximising dried yield and devising mathematical models to account for photoassimilate (dry matter) partitioning in Vitis.
Changes in sorption of imidacloprid with incubation time

Changes in sorption of the insecticide imidacloprid (1-[(6-chloro-3-pyridinyl)-methyl]-N-nitro-2-imidazolidinimine) with aging in three soils have been determined. Soil moisture was adjusted to -33 kPa and 14 C- and analytical-grade imidacloprid added to the soil at a rate of 1.0 mg kg -1 . Imidacloprid-spiked soils were incubated at 25°C for 16 wk. Replicate soil samples were periodically extracted successively with 0.01 M CaCl 2 , acetonitrile, and 1 M HCl. Sorption, as indicated by the sorption coefficient (K d ) values, was highest in the soil with highest organic C content, and increased by an average factor of 2.8 in the three soils during the incubation period. This increase was the result of a decrease in the imidacloprid extractable with CaCl 2 (solution phase) and the increase in the amount of imidadoprid extractable with acetonitrile and HCI (sorbed phase) with incubation time. It is not known whether the increase in sorption was the result of imidacloprid diffusion to less accessible or stronger binding sites with time, a rate of degradation in solution and on labile sites that is faster than the rate of desorption, or a combination of the two processes. These results are, however, further evidence that increases in sorption during pesticide aging should be taken into account during characterization of the sorption process for mathematical models of pesticide leaching.
Application of systematic sequences of wave functions to the water dimer

A systematic series of calculations encompassing a wide range of basis sets and correlated methods has been used to estimate the complete basis set, full CI hydrogen bond strength in the water dimer system. The largest basis set included up through h polarization functions on oxygen and g functions on hydrogen. The complete basis set limit for the self‐consistent‐field (SCF) interaction energy is estimated to be −3.55 kcal/mol with an accompanying correlation contribution of ∼−1.5 kcal/mol. This leads to an interaction energy of −5.1 kcal/mol, exclusive of vibrational zero‐point considerations, and is in good agreement with experimental measurements of −5.4±0.7 kcal/mol. Inclusion of an approximate adjustment for the basis set superposition error via the Boys/Bernardi counterpoise correction was found to substantially improve agreement with ΔE∞, our estimate of the complete basis set interaction energy, at the both the SCF and correlated levels for basis sets that were lacking in sufficient near‐valence d.
Evidence of Polymolecular Film Formation During the Adsorption of Water and Ethylene Dibromide on Glass Spheres1, 2

The importance of adsorptive forces in monodispersed glass bead systems, at high relative pressures, was studied during the adsorption of water and ethylene dibromide by microscopic Pyrex and alkali glass beads, i.e., ideal soil. The analysis of the adsorption data by the Frenkel-Halsey-Hill isotherm equation, applicable at high surface coverages, allowed differentiation between capillary condensation and multilayer adsorption. Polymolecular adsorption accounted for all adsorption of water up to P/P₀ = 0.98 with no indication of condensation. The type of glass had a marked effect on the nature of water interaction. Evidence is presented which indicates that both ethylene dibromide and ethyl alcohol (data from literature) exhibit phase transitions in the multilayer region of adsorption.
EFFECTS OF SUPPLEMENTARY POTASSIUM AND PHOSPHORUS ON PHYSIOLOGICAL DEVELOPMENT AND MINERAL NUTRITION OF CUCUMBER AND PEPPER CULTIVARS GROWN AT HIGH SALINITY (NaCl)

Two cucumber (Cucumis sativus) cultivars, Seraset F1 and Rabina F1, and two pepper (Capsicum annuum) cultivars, California Wonder and Charliston 52, were grown hydroponically for six weeks to investigate the effectiveness of supplementary potassium (K) and phosphorus (P) applied to the root zone of plants grown at high (60 mM) NaCl concentration. Treatments used in this experiment were (i) control: nutrient solution alone, (ii) high salt: nutrient solution plus 60 mM NaCl, and (iii) high salt with supplementary P and K: nutrient solution plus 60 mM NaCl, 1 mM KH2PO4, and 2 mM K2SO4. Supplementary 1 mM KH2PO4 and 2 mM K2SO4 was added to nutrient solution for four weeks. Plants grown at high salt produced less dry matter and chlorophyll than those in normal nutrient solution for both cucumber and pepper cultivars. Reductions in both dry matter and chlorophyll concentrations were greater for pepper than cucumber. Supplementary K and P restored dry matter and chlorophyll concentrations for both species to levels similar to the control. Membrane permeability increased with high salt application and these increases were greater for pepper. Supplementary K and P restored membrane permeability in both species to levels similar to the control. Plant daily water use was decreased by high salt but it was restored with supplementary K and P to levels similar to the control. Sodium (Na) concentration in plant tissues increased for both species in the high salt treatment. Concentrations of P and K were in the deficient range in the plants grown at high salt and supplementary K and P application corrected these deficiencies.
Direct inelastic scattering of oriented NO from Ag(111) and Pt(111)

A pulsed supersonic and cold oriented beam of NO molecules is incident upon the (111) face of clean Ag and Pt single crystal surfaces. The steric effect in the scattered density distributions is determined by a quadrupole mass spectrometer. It is found that the steric effect in the peak in the distribution of direct inelastically scattered molecules depends linearly on the reflection angle. In all circumstances O‐end collisions lead to scattering angles more inclined towards the surface than N‐end collisions. For the Pt(111) surface a much stronger steric effect is measured than for the Ag(111) surface. The steric effect seems to scale with the incident normal velocity. These strong steric effects can be explained by the larger trapping probability for the N‐end orientation and a leverage effect due to the high trapping probability.
Forced convective boiling of nonazeotropic refrigerant mixtures inside enhanced surface tubing

An experimental study on the characteristics of two phase flow boiling of pure refrigerants such as R12 and R22 as well as nonazeotropic refrigerant mixtures R22/R114 and R22/R152a inside horizontal enhanced surface tubing is presented. The enhanced surface tubing results showed a significant improvement of the heat transfer over that of an equivalent smooth tube, depending on the mixture components and their concentrations. Correlations are proposed to predict the heat transfer characteristics such as average heat transfer coefficients as well as pressure drops of nonazeotropic refrigerant mixture flow boiling inside enhanced surface tubing. In addition, it was found that the refrigerant mixtures pressure drop is a weak function of the mixture compositions.
Phase Diagrams and Thermodynamic Properties of Binary Systems of Drugs

The phase diagram data of 60 binary systems of drugs were evaluated with the aid of a computer-coupled phase diagram/thermodynamic analysis. Data for this analysis were obtained by an exhaustive literature search (110 references). Among the results of this analysis are the excess Gibbs energy of liquid and solid solution phases, and the thermodynamic properties of intermediate compounds. For each system a phase diagram was calculated; such calculated diagrams are thermodynamically consistent and are offered as the best constructions which can be deduced from available data.
Socially Responsible HRM Reporting in Russia: A Modern Practice Embedded in the Past?

Based on an analysis of CSR/sustainability reports published by Russian companies, we analyse the determinants of socially responsible human resource management (SRHRM) disclosure in Russia. By considering the historical development and contextual specifics of the country, we concentrate on the path dependence perspective. The results of our study not only confirm the expected relationship between the reported founding history before the fall of the Soviet Union and the disclosure of information about social benefits provided to employees, but also deliver evidence that company size is a relevant predictor of SRHRM reporting in Russia. Thus, this study confirms both the path-dependent nature of organisational practices in this country, as disclosed in company reports, and the importance of factors in line with those identified in developed industrialised countries.
Role of Early-Stage Atmosphere in the Dehydrogenation Reaction of the LiBH4–YH3 Composite

This article investigates the dehydrogenation behavior of the LiBH4−YH3 composite under various early-stage Ar back-pressure conditions. It is clearly observed that a minute change in early-stage atmosphere greatly affects the overall dehydrogen- ation reaction of the composite. Free boron and Li2B12H12 start to form in turn as the partial dehydrogenation products around 400 °C under static vacuum or low Ar back pressure. The formation of Li2B12H12 greatly increases the activation energy for the dehydrogenation reaction between LiBH4 and YH3 into LiH and YB4, hence significantly retarding the reaction. The formation of B just slightly increases the incubation period of the reaction. The formation of Li2B12H12 is effectively suppressed by initially applying Ar back pressure above 0.1 MPa.
Kinetics of pyrolysis of Moroccan oil shale by thermogravimetry

The kinetics of the thermal decomposition of Moroccan oil shale have been studied by isothermal and nonisothermal thermogravimetry (TG). The nonisothermal weight loss data have been analyzed by using three models, while the isothermal TG data have been correlated by using the integral method of kinetic analysis. The combined use of nonisothermal and isothermal TG measurements has shown that the thermal decomposition of Moroccan oil shale involves two consecutive reactions with bitumen as an intermediate. The pyrolysis rates of Moroccan shale are compared with those of Colorado and Jordan shale.
Flow-Injection Chemiluminescence Determination of Fluoroquinolones

ABSTRACT A new flow-injection CL method was developed for the determination of fluoroquinolones including ofloxacin, norfloxacin, ciprofloxacin and lomefloxacin in pharmaceutical preparations, based on the chemiluminescence reaction of sulphite with cerium(IV) sensitized by these compounds. The linear ranges are 0.04 to 4.0 μg ml−1 for ofloxacin and 0.4 to 40.0 μg ml−1 for norfloxacin, ciprofloxacin and lomefloxacin, respectively. The detection limits are 0.016 μg ml−1 for ofloxacin and 0.16 μg ml −1 for norfloxacin, ciprofloxacin and lomefloxacin, respectively. The relative standard deviations (RSD) are 2.1 to 2.6% (n=10) for these fluoroquinolones. The analytical procedure has been applied to the determination of the fluoroquinolones in pharmaceutical commercial formulations. The results are in agreement with those obtained by the official methods.