Miracle-dz/UniFAR-FTUs huggingface dataset:
Detecting phase transitions in supercritical mixtures: an enabling tool for greener chemical reactions

Detecting phase transitions in high-pressure CO2 and supercritical fluids was first attempted in the nineteenth century. By contrast, Green Chemistry, the design and implementation of cleaner methods of manufacturing and processing chemicals, is barely 20 years old. Now, the use of CO2 as an environmentally more acceptable replacement for traditional solvents for greener chemical reactions is creating the need for new, more rapid methods for elucidating high-pressure phase behaviour. This paper describes the advantages and limitations of a number of approaches, developed in Nottingham, to meet this need, including acoustic measurements, shear-mode quartz sensors, the fibre-optic reflectometer, the use of holey fibres, attenuated total reflectance infrared spectroscopy and pressure drop measurements.
Selective dry etching of attenuated phase-shift mask materials for extreme ultraviolet lithography using inductively coupled plasmas

Among the core extreme ultraviolet lithography (EUVL) technologies, mask fabrication is of considerable importance due to the use of new reflective optics having a completely different configuration from that of conventional photolithography. This study investigated the etching properties of attenuated phase-shift mask materials for EUVL, such as TaN (attenuator layer), Al2O3 (spacer), Mo (phase shifting layer), Ru (buffer/capping/etch-stop layer), and Mo–Si multilayer (reflective layer) by varying the Cl2∕Ar gas flow ratio, dc self-bias voltage (Vdc), and etch time in inductively coupled plasmas. For the fabrication of the attenuated EUVL mask structure proposed herein, the TaN, Al2O3, and Mo layers need to be etched with no loss of the Ru layer on the Mo–Si multilayer. The TaN and Al2O3 layers were able to be etched in BCl3∕Cl2∕Ar plasmas with a Vdc of −100V and the Mo layer was etched with an infinitely high etch selectivity over the Ru etch-stop layer in a Cl2∕Ar plasma with a Vdc of −25V even with in.
X‐ray dielectric, and optical study of ferroelectric lead metatantalate and related compounds

BLOW, D. M. (1958). Proc. Roy. Soc. A, 247, 302. BODO, G. , DINTZIS, H. M. , KENDREW, J. C. , WYCKOFF, H. W. (1959). Proc. Roy. Soc. A. 253, 70. BRAGG, W. L. (1958). Acta Cryst. 11, 70. CULLIS, A. F. , Di~rzis, H. M. & PERUTZ, M. F. (1957). Conference on Haemoglobin, p. 50. NAS-NRC Publication 557, Washington. GREELY, D. W. , INGRAM, V. M. & PERUTZ, M. F. (1954). Proc. Roy. Soc. A, 225, 287. HARKER, D. (1956). Acta Cryst. 9, 1. KENDREW, J. C. , BODO, G. , DINTZIS, H. M. , PAI~RISH, R. G. , WYCKOFF, H. & PHILLIPS, D. C. (1958). Nature, Lond. 181, 662. PERUTZ, M. F. (1956). Acta Cryst. 9, 867. ROSSMANN, M. G. , JACOBSOI~, R. A. , HII~SHFELD, F. L. & LIPSCOMB, W. N. (1959). Acta Cryst. 12, 530.
Effect of Defatted Maize Germ Addition on the Functional and Textural Properties Of Wheat Flour

The objective of this study was to assess functional properties of wheat flour blends with defatted maize germ flour (DMGF), a byproduct of the corn oil industry, at 5–25% levels. The bulk density, oil, and water absorption capacities, emulsion/foaming capacity and stability, objective color, least gelation concentration, and rheological properties (apparent viscosity and dough compression) were determined in control and flour blends. With DMGF addition, bulk density and foaming capacity decreased from 0.62 g/mL to 0.55 g/mL and 33.7% to 25.7%, respectively, both at 25% level. In general, when compared to control, oil and water absorption and emulsion capacities increased significantly in flour blends with >10% DMGF. Overall, regardless of the DMGF level, complete or partial gelling was observed at ≥ 8% gelation concentration. The apparent viscosity increased with increasing DMGF levels (0–25%) in all flour blends and also at all 4 concentrations from 5% to 20%. The control flour dough had a hardness value of 7.56 N, which increased significantly to 84.6N, when the DMGF level increased to 25% in the flour blend. These results indicate that most of the functional properties of wheat flour blends improved with DMGF addition, thus DMGF has a great potential to be used in a variety of food products.
ACUMULACIÓN DE ARSÉNICO Y METALES PESADOS EN MAÍZ EN SUELOS CERCANOS A JALES O RESIDUOS MINEROS

Arsenic and metals Pb, Zn, Cu, Fe, Cd concentrations were determined in four substrates near mine tailings. After 70 days growth, accumulation of those elements and effects in the development of young maize ( Zea mays L.) H-515, raised in greenhouse under controlled conditions (temperature, relative humidity and solar radiation) were also evaluated. Maize planted in substrates (S3 and S4) with higher concentrations of As and metals (Toxic metals and metalloids TMM) showed visible affectations such as: chlorosis, thinner leaves and growth inhibition. Zinc and Pb reached the highest contents among the studied elements in substrates and plants. In substrates, Zn concentrations ranged from 175.2 to 16193 mg/kg, and Pb from 66.5 to 6166 mg/kg. After 70 days growth, Zn concentrations in roots ranged from 54.7 to 3555.4 mg/kg, and Pb from 11.1 to 320.3 mg/kg. In the aerial part Zn contents varied from 30.8 to 519.8 mg/kg and Pb ranged from 3.7 to 38.5 mg/kg. Metal concentrations were also evaluated in 30 days growth maize plants. Zinc contents in roots ranged from 88.9 to 504.8 mg/kg, and Pb from 25.2 to 300.9 mg/kg; in the aerial part concentration ranges were 15.5 to 555.6 mg/kg for Zn, and 2.2 to 10.8 mg/kg for Pb. Generally low translocation (TF) and bioconcentration factors (BF) were determined for all elements. However, TF for Zn and Cd were slightly higher in plants after 30 and 70 days growth, with 0.86 and 0.85 for Cd and 0.82 for Zn in agricultural soils; arsenic had higher TF in all substrates for 70 days growth plants. Differences were also observed in maize development; plants grown in agricultural soils far from tailings showed better growth (46 cm on average) while those grown in tailings had lower growth (24 cm on average). Anatomic characteristics, fresh and dry weight, biomass and number of leaves also presented a similar behavior showing significant differences (p<0.05) among experimental units with S1 presenting the highest values, followed by S2, S3 and S4. Results suggest that TMM in zones close to tailings accumulate and affect young maize plants development, disturb their growth and cause phytotoxic effects that are shown in their appearance.
THE CALCULATION OF FREE-ENERGY DIFFERENCES BY CONSTRAINED MOLECULAR-DYNAMICS SIMULATIONS

In this paper we set out to derive a relation between the constraint force and the derivative of the free energy for a system in which only the reaction coordinate is constrained. Our result differs from the expression by Mulders et al. [J. Chem. Phys. 104, 4869 (1996)] because we take into account the effect of the constraint on the sampled phase-space distribution. The method is illustrated with two prototypical numerical examples.
Properties of Fatty-Acid Esters of Starch and Their Blends with LDPE

In the present study, starch octanoates OCST1.8 and OCST2.7 with degrees of substitution (d.s.) of 1.8 and 2.7, respectively, and dodecanoate DODST2.7 (d.s. A 2.7), were prepared by esterification of native starch with fatty acid chlorides. Our analyses, including elemental analysis, FTIR, contact angle, DSC, and TGA measure- ments confirmed the esterification reaction of starch and the degree of substitution. The ester group was found to act like an internal plasticizer, with an increase in the number and the size of fatty acyl chains grafted onto starch. These starch esters were mixed with low density polyethylene (LDPE) at various proportions in a Haake Rheo- mixer. Water and moisture absorption, thermal and mechanical properties, and biodeg- radation were investigated as a function of blend composition. The DODST2.7/LDPE blends showed, in general, better thermal stability and higher elongation, but lower tensile strength and water absorption, than did corresponding OCST/LDPE blends. The addition of starch esters to LDPE led to a very slow rate of biodegradation of these blends. q 1997 John Wiley & Sons, Inc. J Appl Polym Sci 65: 705-721, 1997
Deposition of intact tetrairon(III) single molecule magnet monolayers on gold: an STM, XPS, and ToF-SIMS investigation

The ability of a tetranuclear iron(III) single-molecule magnet functionalized with thioacetyl-terminated ligands to form monolayers on gold has been investigated by a multitechnique approach based on STM, XPS and ToF-SIMS. We discuss in detail several aspects, which are relevant to the reported observation of a memory effect on the monolayer prepared from dichloromethane (Mannini et al., Nat. Mater., 2009, 8, 194). In particular we show that the adsorbate comprises intact surface-bound Fe4 clusters as opposed to microcrystals or multilayers. The influence of the solvent used for the self-assembly process on the morphology, composition and structure of the adsorbate is also studied for four different solvents (dichloromethane, n-hexane, toluene, 1,4-dioxane).
Effects of solvents on electrospun polymeric fibers: preliminary study on polystyrene

Six solvents [acetic acid, acetonitrile, m-cresol, toluene, tetrahydrofuran (THF) and dimethylformamide (DMF)] with different properties (eg density, boiling point, solubility parameter, dipole moment and dielectric constant) were used to prepare electrospun polystyrene (PS) fibers. Fiber diameters were found to decrease with increasing density and boiling point of the solvents. A large difference between the solubility parameters of PS and the solvent was responsible for the bead-on-string morphology observed. Productivity of the fibers (the numbers of fiber webs per unit area per unit time) increased with increasing dielectric constant and dipole moment of the solvents. Among the solvents studied, DMF was the best solvent that provided PS fibers with highest productivity and optimal morphological characteristics. The beadless, well-aligned PS fibers with a diameter of ca 0.7 µm were produced from the solution of 10 % (w/v) of PS in DMF at an applied electrostatic field of 15 kV/10 cm, a nitrogen flow rate of 101 ml min−1 and a rotational speed of the collector of 1500 rev min−1. Copyright © 2004 Society of Chemical Industry
A Modified Random Phase Approximation of Polyelectrolyte Solutions

We compute the phase diagram of salt-free polyelectrolyte solutions using a modified Debye-Huckel Approach. We introduce the chain connectivity via the Random Phase Approximation with two important modifications. We modify the electrostatic potential at short distances to include a bound on the electrostatic attractions at the distance of closest approach between charges. This modification is shown to act as a hard core in the phase diagram of electrolyte solutions. We also introduce a cut-off on the integration of the modes of wave length smaller than the size over which the chains are strongly perturbed by the electrostatic interactions. This cut-off is shown to be essential to predict physical phase diagram in long chain solutions.
Characterization of Selected Egyptian Oil Shales from the Red Sea Area: Composition of Inorganic Matrix and Potential of Organic Matters

Nine Egyptian oil shale samples were assembled from the main producing mines (Abu-Shigeili, El-Beida, El-Nakheil, and Abu-Tundub) in the Red Sea area. The oil shale rocks were analyzed by powder X-ray diffraction and optical microscopic techniques in order to identify minerals of the oil shales. It was found that montmorillonite, quartz, gypsum, kaolinite, calcite, and dolomite constitute the main bulk composition of the inorganic matrix. In addition, photomicrographs of the oil shales indicated that pyrite crystals may also be present. Bitumen and kerogen concentrates were extracted from the studied oil rocks. Genetic potential of organic matters in the oil shales was studied by means of Rock-Eval pyrolysis and FTIR spectroscopy. It was suggested that Abu-Shigeili oil shales are moderate source rocks with some potential for gas, whereas the other oil shales showing high values of S1 + S2 are good sources for oil.
RHEOLOGICAL BEHAVIOR OF KAPPA‐CARRAGEENAN/ LOCUST BEAN GUM MIXED GELS

Etude de la resistance au cisaillement et de la compressibilite des gels de carraghenanes ainsi que du durcissement lors de l'incorporation de gomme de caroube et d'ions potassium. Comportement des gels dans les milieux de fermentation. On cherche a definir la composition du gel donnant les meilleures proprietes mecaniques. Il existe un minimum de concentration en gomme de caroube, voisin de 5 %, permettant d'obtenir un gel suffisamment ferme
Strongly oriented Co3O4 thin films on MgO(100) and MgAl2O4(100) substrates by PE-CVD

Co3O4 thin films were grown on MgO(100) and MgAl2O4(100) by plasma enhanced-chemical vapor deposition (PE-CVD) from the [Co(dpm)2] precursor. Depositions on both single crystal substrates were performed from Ar/O2 plasmas at temperatures between 100 and 400 °C in order to tailor the chemical and physical properties of the synthesized films. The composition, morphology and structure of the Co3O4 systems were thoroughly analyzed by XPS, SIMS, FE-SEM and bidimensional XRD. The obtained results evidenced the formation of high-purity and strongly oriented Co3O4 thin films, with features dependent on the used substrate and the adopted growth temperature.
INFLUENCE OF THE POOL SIZE OF THE XANTHOPHYLL CYCLE ON THE EFFECTS OF LIGHT STRESS IN A DIATOM: COMPETITION BETWEEN PHOTOPROTECI'ION AND PHOTOINHIBITION

Abstract In a study of the relationship between nonphotochemical quenching of fluorescence and the xanthophyll cycle, we show that the diatom Phaeodactylum tricornutum exhibits several interesting characteristics. This xanthophyll cycle consists of only one reversible epoxidating/deepoxidating step (diadinoxanthiddiatoxanthin). Diadinoxan‐thin, which increases from 8 to 17 molecules/100 chlorophyll a (Chl a) during the ageing of the culture, was present as two separate pools, with a portion (of about 5 molecules/100 Chl a) which was never deepoxidated. Under a defined irradiance, the time necessary to abolish net photosynthesis increases with the pool size of diadinoxanthin available for deepoxidation. A close correlation is found between nonphotochemical quenching and the relative ratio of diatoxanthin until the photosytem II center is inactivated. The photoprotective effect of diadinoxanthin deepoxidation is limited to the phase during which quenching of the minimum fluorescence (F0) develops.
Determination of near-coincident cells for hexagonal crystals. Related DSC lattices

Crystallographic data concerning geometric properties of hexagonal lattices of Cα, Zn, Beα, Tiα, Zrα, Mg and Cd are obtained from two different computation techniques. These properties are related to the relative orientations of identical hexagonal lattices 1 and 2 which superimpose two multiple cells M1 and M2 within a given small deformation. These orientations are listed for ratios Σ = | volume of cells M1 (or M2)/volume of the unit cell | varying from 1 to 25. Their number are limited by choosing all the principal strains transforming M1 into M2 less than or equal to 1%.
Disorder diffuse scattering of X‐rays and neutrons

The scope of this chapter is outlined in Section 4.2. 1. The next section, Section 4.2. 2, presents a summary of basic scattering theory containing general scattering formulae and formulae for cross sections. Section 4.2. 3 discusses a general treatment of disorder diffuse scattering and describes the basic mathematics and general qualitative formulation of disorder. Occupational disorder, displacive disorder, domain disorder and lamellar disorder are discussed and guidelines for solving a disorder problem are given. Section 4.2. 4 describes quantitative interpretation and covers quantitative solutions and methods for treating disorder problems in layered structures (one-dimensional stacking disorder), structures with chain-like elements (two-dimensional disorder), defect structures, short-range ordering, clustering, molecular crystals and orientational disorder. The last section, Section 4.2. 5, describes experimental methods for measuring diffuse scattering.
Studies on the Syntheses of Multilayered [2. 2] Paracyclophanes

Abstract It is well-known that a number of double-layered compounds such as [2. 2]paracyclophane show anomalous physical and chemical properties due to the transannular π-electronic interaction between the stacked aromatic rings.2) Moreover, the interaction significantly increases with an increase of the layers as observed in a series of multilayered [2. 2]paracyclophanes3) and thereby it is of great interest to search a possibility of an organic semiconductor or its suitable model in them or their derivatives. However, such a study has been severely limited by great difficulty on the syntheses of the layered cyclophanes. While a number of synthetic methods have been developed for cyclophanes,2) only 1,6-Hofmann elimination method has so far been adopted to the preparation of multilayered [2.2]paracyclophanes.3) In practice, however, the yield is very low and becomes markedly poor with the increasing layers. Now we have studied some practical improvements on the preparation of multilayered [2.2]paracyclop.
Nanoparticle-based crystal growth via multistep self-assembly

Metal crystals are assumed to form through a combined process of Ostwald ripening and oriented attachment. Our experiments and simulations, however, indicate that metal crystals are grown in a multistep self-assembly process with metal nanoparticles as basic building blocks. The shapes of the intermediate dendritic structures are determined by the geometric and energetic features of the nanoparticles.
A Semi-Empirical Two Step Carbon Corrosion Reaction Model in PEM Fuel Cells

The cathode CL of a polymer electrolyte membrane fuel cell (PEMFC) was exposed to high potentials, 1.0 to 1.4 V versus a reversible hydrogen electrode (RHE), that are typically encountered during start up/shut down operation. While both platinum dissolution and carbon corrosion occurred, the carbon corrosion effects were isolated and modeled. The presented model separates the carbon corrosion process into two reaction steps; (1) oxidation of the carbon surface to carbon-oxygen groups, and (2) further corrosion of the oxidized surface to carbon dioxide/monoxide. To oxidize and corrode the cathode catalyst carbon support, the CL was subjected to an accelerated stress test cycled the potential from 0.6 V RHE to an upper potential limit (UPL) ranging from 0.9 to 1.4 V RHE at varying dwell times. The reaction rate constants and speciﬁc capacitances of carbon and platinum were ﬁtted by evaluating the double layer capacitance (Cdl) trends. Carbon surface oxidation increased the Cdl due to increased speciﬁc capacitance for carbon surfaces with carbon-oxygen groups, while the second corrosion reaction decreased the Cdl due to loss of the overall carbon surface area. The ﬁrst oxidation step differed between carbon types, while both reaction rate constants were found to have a dependency on UPL, temperature, and gas relative humidity. © 2013 The Electrochemical Society.
SOLID-FLUID EQUILIBRIUM IN A NONLINEAR HARD-SPHERE TRIATOMIC MODEL OF PROPANE

We describe a study of the phase diagram of a nonlinear triatomic molecule with hard sphere interactions between the sites using isobaric ensemble Monte Carlo simulations. The model is constructed so as to serve as a hard sphere interaction site model of propane. Several different crystal structures were used to initialize the solid phase simulations. An apparently optimum crystal geometry was located by allowing the Monte Carlo simulation cell shape to fluctuate. The fluid phase was found to be stable over a range of volume fractions, which is 35% greater than for a system of hard spheres with the same molecular volume. The fractional density change on freezing is about 4%. When the free energy for the model is used in a generalized van der Waals theory of solid–fluid equilibrium it predicts low values of the triple point temperature and fractional density change on freezing which are qualitatively similar to those for propane.
Energetics and formation kinetics of helium bubbles in metals

Abstract Recent theoretical work on the energetics and formation kinetics of helium bubbles in metals is reviewed. The energetics are discussed in particular for bubbles with radii between 10 and 1000 A containing helium under very high pressures (nonideal gas bubbles). For this size range, the bubble formation free energy is split into three parts: a helium bulk free energy which is considered for solid and fluid helium (high-density equation of state), a bubble-matrix interface free energy for which curvature corrections are introduced, and a relaxation energy which is treated within the elastic continuum approach. The formation kinetics are considered for two extreme cases. For high helium production rates and low temperatures, helium clustering is associated with athermal processes such as metal interstitial emission and dislocation loop punching. For dislocation loop punching, an interpolation between computer simulation and continuum-theory results is discussed. For low helium production rates and h.
Microencapsulation of Electrophoretic TiO2 Nanoparticles for Electronic Ink

ABSTRACT Microencapsulation of electrophoretic dispersion is one of the key steps in realizing the portable electrophoretic display technique, electronic paper. In this study, electrophoretic TiO2 nanoparticles were uniformly dispersed in a dielectric medium of halocarbon oil and the TiO2 based core material was emulsified using a polymeric surfactant of poly(sodium 4-styrene sulfonic acid) (PSSA). After the colloid particles were stabilized, the microencapsulation of the core materials was accomplished by the polycondensation of melamine/urea-formldehyde prepolymer. Average diameter of the microcapsules obtained was about 50 μm and their thermal stability was measured by TGA. The surface morphology of the microcapsule was dependent on the molar ratio of melamine/urea to formaldehyde and the water content.
Oxide Films for Integrated Capacitors in Thin Film Functional Modules

Single oxide films as well as complex oxide films are intensively studied for multi-chip modules with integrated passive functions. In this paper the processing and properties of oxide films such as Ta 2 O 5 , TiO 2 , Nb 2 O5, Ta 2 O 5 -Al 2 O 3 , Ta 2 O 5 –Nb 2 O 5 as well as complex oxide films such as BiNbO 4 and Ba 1划x Sr x TiO 3 films will be discussed with respect to their integration into thin film functional modules.
Spectral interferences in the analysis of cadmium in human blood by ICP-MS: comparison between high resolution sector field ICP-MS and quadrupole ICP-MS

Both high resolution sector field ICP-MS (ICP-SFMS) and quadrupole ICP-MS (ICP-QMS), with and without the collision cell technology, were used to investigate interferences observed in the analysis of cadmium in whole blood. Interference tests were performed, in which blood samples were spiked with K, Na2EDTA and Mo. Significant interferences were observed on the 111Cd isotope, especially in K-spiked samples. Interferences were more pronounced on the ICP-SFMS than on the ICP-QMS. Accurate Cd analysis in blood samples can be performed on both instruments using the 114Cd isotope after mathematical corrections for 114Sn and 98Mo16O.