Miracle-dz/UniFAR-FTUs huggingface dataset:
OSMOTIC PRESSURE, MOLECULAR WEIGHT, AND VISCOSITY OF SODIUM ALGINATE

This work shows how the molecular weight of sodium alginate can be determined by measuring the values of the osmotic pressure, P, in the presence of low concentrations of sodium chloride, and extrapolation of P/C to C = 0, where C is the concentration of sodium alginate. For different samples of sodium alginate the slope of the curve P/C against C was independent of the molecular weight. Molecular weight values from 48,000 to 186,000 were obtained. The intrinsic viscosity of the different samples were linearly related to the degree of polymerization.
Short-range order in ferroelectric triglycine sulphate

The short-range order in triglycine sulphate (TGS) was investigated using x-ray and neutron diffraction techniques. Complete deuteration of TGS was required for the neutron diffraction experiments and a new method was developed to grow single crystals of fully deuterated TGS by vapour diffusion crystallisation. The long-range structure of fully deuterated TGS was refined at several temperatures from single crystal neutron diffraction data and found to be consistent with the published structure of hydrogenous TGS. The phase transition temperature was found to increase from about 322 K to about 334 K with complete deuteration. The evolution of the long-range structure with temperature was investigated using x-ray and neutron powder diffraction. All of the lattice parameters had a single cusp at the phase transition, except for the b lattice parameter, which also had a second cusp about 34 K below TC . In contrast to the lattice parameter behaviour, the unit cell volume was found to increase monotonically with temperature. The length of the hydrogen bonds between the disordered N atom on glycine 1 (G1) and the surrounding molecules was found to increase with temperature, whereas the length of the short hydrogen bond between G2 and G3 decreased slightly with temperature. This supports the suggestion that weakening of the hydrogen bonds decouples G1 from G2 and G3, allowing the system to become disordered. Except around the ferroelectric to paraelectric phase transition temperature, no abnormalities in the behaviour of any of the refined parameters were observed, suggesting that TGS only has a single phase transition. The short-range order in TGS was investigated by collecting single crystal x-ray and neutron diffuse scattering at several temperatures from well below to well above TC . Well below TC , the diffuse scattering was purely thermal diffuse scattering due to correlations of the atomic displacements. Close to the phase
Monolayer and multilayer assemblies of spherically and cubic-shaped iron oxide nanoparticles

Nowadays, nanoparticles are considered as the building blocks of the future nanotechnological devices and the development of strategies for processing nanoparticles into thin films has become a strategic challenge. In this context, the assembling of spherically shaped iron oxide nanoparticles displaying various sizes and of cubic-shaped nanoparticles has been investigated using the Langmuir–Blodgett technique. Homogeneous and dense monolayer and multilayer films have been obtained on large areas. The organisation in films has been studied by combining GISAXS and image analysis of SEM micrographs. The quality of the film has been determined to be mainly dependent on the chemical nature of the substrate and the amount of surfactant molecules at the surface of the nanoparticles (i.e. the organic coating).
Investigation of solvent effects on pericyclic reactions by computer simulations

A combination of quantum and statistical mechanics is being used to probe the origins of solvent effects on the kinetics of organic reactions. Ab initio molecular orbital calculations provide gas-phase reaction paths and partial charges for the reacting systems. The reaction paths are then followed by Monte Carlo simulations in periodic cells containing hundreds of solvent molecules, and the changes in Gibbs free energies of solvation are obtained. Results are provided for several prototypical pericyclic reactions : Diels–Alder cycloadditions for methyl vinyl ketone with cyclopentadiene and the dimerization of cyclopentadiene, the Claisen rearrangement of allyl vinyl ether, and the electrocyclic ring opening of cyclopropanones to oxyallyls. Detailed insights are obtained on issues such as the acceleration of the Diels–Alder reactions and Claisen rearrangement in water, and the electronic nature of oxyallyls.
Dependence of the Brillouin Frequency Shift on Temperature in a Tellurite Glass Fiber and a Bismuth-Oxide Highly-Nonlinear Fiber

We investigate the temperature-dependences of the Brillouin frequency shift in a tellurite glass fiber and a bismuth-oxide highly-nonlinear fiber using a Brillouin optical correlation-domain reflectometry system for sensing applications. Negative dependences of -1.14 and -0.88 MHz/K are demonstrated, respectively, in contrast to the positive dependence of +1.18 MHz/K in a standard silica fiber.
Scanning capacitance microscopy measurement of two-dimensional dopant profiles across junctions

Cross-sectioned p+/p and p–n junction test structures were imaged with a scanning capacitance microscope (SCM). To maintain a constant difference capacitance, our SCM utilizes an electronic attenuator circuit with a dynamic range of 20 V to less than 1 mV. Dopant profiles are extracted from SCM images using a formalism, which rapidly determines the theoretical SCM response from a database of calculated C–V curves. A dopant profile from a p+/p junction determined via constant difference capacitance SCM is compared to a secondary ion mass spectroscopy profile from similar structures.
Cytotoxic and Antimycotic Activities of Essential Oil of Artemisia turanica Krasch from Iran

Abstract The cytotoxic and anti-fungal activities of Artemisia turanica essential oil were investigated. Also the composition of the essential oil of the plant was determined. For cytotoxic activity tests, a potato disc tumor inhibition method was exploited. For antifungal activity tests, a poisoned food technique against standard strains of Trichophyton rubrum, Trichoderma reesei, Microsporum gypseum and Aspergillus niger was adopted. The essential oils of A. turanica exhibited tumor growth inhibition (100 % ) inhibition at concentrations equal to 0.02 % (w/v) and higher. Thirteen components were identified in the essential oil of Artemisia turania. The main compounds consisted of 1,8-cineol (40.9 %), cis-verbenyl actate (19.0 %) and camphor (11.0 %). A dose activity relationship between the essential oil concentrations with inhibition of tumor growth on potato discs, and between the essential oil concentrations with antifungal activities was observed.
Complexation of Fluorinated Amino Acid Derivatives by β- and γ-Cyclodextrin in Aqueous Solution. A 19F Nuclear Magnetic Resonance Study

A 19F n.m. r. study shows that the β-cyclodextrin complexes of deprotonated α-(p- fluorophenyl ) glycine, N-acetyl-α-(p- fluorophenyl ) glycine , deprotonated N-acetyl-α-(p- fluorophenyl ) glycine , and N-(p- fluorobenzoyl ) valine are characterized by stability constants KR/dm3 mol-1 and Ks/dm3 mol-1 =13±2 and 21±3, 34±1 and 35±2, 12±1 and 12± 1, and 84±2 and 93±2, respectively, where the first and second of each pair of values refers to the complex formed by the R and S enantiomers of the fluorinated amino acid derivatives, respectively, in 10% aqueous D2O solution at 295.5 K and I = 0.10 mol dm-3. A comparison of these data and the associated 19F chemical shift data with those for the analogous α- and γ- cyclodextrin complexes provides an insight into the factors affecting the stabilities and structures of these complexes.
Electrokinetic Characterization of Oligo- and Poly(ethylene glycol)-Terminated Self-Assembled Monolayers on Gold and Glass Surfaces

Force−distance studies suggest that electrostatic forces play a dominant role in the resistance of oligo(ethylene glycol) (OEG) terminated self-assembled monolayers (SAMs) to adsorption from aqueous solution, whereas for end grafted poly(ethylene glycol) (PEG) coated surfaces inertness is explained by a steric repulsion effect. To study the role of electrostatics in the repulsive forces measured on methoxytri(ethylene glycol) (EG3OMe) terminated alkanethiolate SAMs on gold surfaces, their electrokinetic potentials and charging properties were determined with the microslit electrokinetic setup (MES) using rectangular microchannels formed by SAM-covered sample carriers. The zeta potentials measured on the (EG3OMe) SAMs, both on gold and on glass substrate, indicate preferential hydroxide ion adsorption from the aqueous phase resulting in a net negative surface charge at pH >4. Calculated charge densities agree well with the results from force−distance studies. We also studied the electrokinetic properties o.
Atomic force microscopy of polymeric liquid films

We demonstrate the use of the atomic force microscope (AFM) for studying perfluoropolyether polymer liquid films as thin as ∼20 A. With the AFM we are able to measure three distinct properties of the liquid film: (1) its thickness when the thickness of liquid on the AFM tip is taken into account, (2) the meniscus force acting on the AFM tip as a function of depth into the liquid film, and (3) the topography of the liquid/air interface. All three of these measurements can be done with a very high lateral resolution, ∼1000 A, demonstrating the unique capability of AFM for studying liquid films. With AFM we have observed several interesting properties of these polymeric liquid films. First films thinner than ∼300 A are fairly uniformly distributed, while films thicker than ∼300 A slowly dewet the surface. Second, by measuring the meniscus radius of liquid in a micron sized hole on the surface, we can determine the disjoining pressure in a thin liquid film.
Avoidance of advertising on social networking sites : the teenage perspective

Technology has provided consumers with the means to control and edit the information that they receive and share effectively, especially in the online environment. Although previous studies have investigated advertising avoidance in traditional media and on the Internet, there has been little investigation of advertising on social networking sites. This exploratory study examines the antecedents of advertising avoidance on online social networking sites, leading to the development of a model. The model suggests that advertising in the online social networking environment is more likely to be avoided if the user has expectations of a negative experience, the advertising is not relevant to the user, the user is skeptical toward the advertising message, or the consumer is skeptical toward the advertising medium.
Fluid-gel interphase line tension and density fluctuations in dipalmitoylphosphatidylcholine multilamellar vesicles: an ultrasonic study

Temperature dependence of sound velocity and absorption in dilute suspensions of dipalmitoylphosphatidylcholine multilamellar vesicles have been measured at 7.2 MHz in the temperature range 20-55 o C. Relaxational characteristics of heterophase fluctuations of density in the vicinity of the main phase transition have been determined, i.e. relaxational sound velocity, absorption, and effective relaxation time. Fluid-gel interphase line tension in the fluid bilayer has been evaluated for the first time from the acoustic data by means of a simple model based on Frenkel's theory of heterophase fluctuations in the vicinity of first-order phase transitions. The theory focuses on the formation of clusters of a new phase inside the parent phase
EFFECTS OF GYPSUM ENHANCED COMPOSTS ON YIELDS AND MINERAL COMPOSITIONS OF BROCCOLI AND TALL FESCUE

Gypsum (CaSO4·2H2O) addition during composting of manure or biosolids can reduce ammonia nitrogen losses and represents a new method for controlling odors. Additional work is needed, however, to test the ability of the gypsum-containing composts to support plant growth and affect uptake of nutrients and heavy metals. A field study using broccoli (Brassica oleracea L. var. italica) and a growth chamber study using tall fescue (Festuca arundinacea) were conducted by application of composts at 10 Mg ha−1 for broccoli and 10 and 25 Mg ha−1 for tall fescue. Compared to composts without gypsum, at 10 Mg ha−1, gypsum composts significantly increased or had a strong trend to increase yields of broccoli and tall fescue. Gypsum composts affected concentrations of nutrient elements but did not increase concentrations of environmental concern elements in broccoli flowers and tall fescue tissue. Thus gypsum composts can be safely applied to soils to enhance crop growth.
Surface modification of poly(ethylene-co-acrylic acid) with amino-functionalized silica nanoparticles

In this work we studied the possibility to achieve a hybrid-surface through the modification, via a facile wet chemical process, of the surface of films of poly(ethylene-co-acrylic acid) (EAA) with amino-modified silica nanoparticles. Films of EAA were preliminarily activated by the introduction of –COCl groups on their surface. Silica nanoparticles were thereafter covalently bound on the polymeric surface as confirmed by FTIR, ATR-FTIR, XPS, NMR and SEM determinations. The nanoparticles formed a multilayer on the film surface and covered almost uniformly the whole film surface. Direct measurements of superficial amino groups by titration allowed us to detect a concentration of about 18 nmol cm−2. The presence of this uniform layer of nanoparticles bearing polar groups strongly changed the wettability of the material as confirmed by static contact angle measurements that passed from 87° of the neat EAA to about 30° of the amino-functionalized silica nanoparticles modified material.
Chemical Constituents of Alnus sieboldiana (BETULACEAE). III. The Synthesis and Stereochemistry of Yashabushiketols

Dihydroyashabushiketol (2), isolated previously from the male flower of Alnus sieboldiana, has been synthesized by the condensation of benzaldehyde with acetylacetone, followed by hydrogenation. The absolute configuration at C5 of yashabushiketol (1) and 2 has been identified as S. The geometry between the trans double bond and the carbonyl group in 1 was established to be s-cis. Eleven more minor components of a known aromatic compound were identified at the same time.
Enhanced Ferroelectric Properties of Intragranular‐Porous Pb(Zr0.95Ti0.05)O3 Ceramic Fabricated with Carbon Nanotubes

The intragranular-porous ferroelectric ceramic was fabricated for the first time with carbon nanotubes as pore formers and the effects of intragranular pores on the ferroelectric and dielectric properties were investigated. It was found that compared with dense ceramic the introduction of a small amount of intragranular pores led to an enhanced remnant polarization, an improved bulk resistivity, higher dielectric breakdown strength, a lower dielectric constant, and thus an enhanced energy storage density by 20%. Plus, a shift of the Curie temperature of ceramics was found in intragranular-porous ferroelectric ceramic and possible reasons for these effects were interpreted.
PRODUCTION AND CHARACTERIZATION OF POROUS CARBON FROM DATE PALM SEEDS BY CHEMICAL ACTIVATION WITH H3PO4: PROCESS OPTIMIZATION FOR MAXIMIZING ADSORPTION OF METHYLENE BLUE

The potential of date palm pits to be a suitable precursor for preparation of porous carbon was explored in the present work, utilizing phosphoric acid as the activating agent. Experimental methods reported in the literature were chosen with certain modifications in order to simplify the process. Process optimization was performed using the popular response surface methodology (RSM) adopting a Box-Behnken design. Process optimization was intended to maximize the porous carbon yield and the methylene blue (MB) adsorption capacity, with the process variables being the activation temperature, impregnation ratio (IR), and activation time. The structural characteristics were assessed based on nitrogen adsorption isotherms, SEM, and FT-IR, while the adsorption capacity was estimated using MB adsorption. The optimized experimental conditions were identified to be an activation temperature of 400°C, IR of 3, and activation time of 58 min, with the resultant porous carbon having a yield of 44% and MB adsorption capacity of 345 mg/g. The structural characteristics of the porous carbon reveal the BET surface area to be 725 m2/g, with pore volume of 1.26 cc/g, an average pore diameter of 2.91 nm, and total micropore volume of 0.391 cc/g. The popular Langmuir and Freundlich adsorption isotherm models were tested, and a maximum monolayer adsorption capacity of MB was estimated to be 455 mg/g, which compares with the highest for MB reported in literature, evidencing the suitability of porous carbon for adsorption of macromolecular compounds. The low activation temperature and activation time with highest yield render the process technically and economically attractive for commercial use.
Tiamulin–hydrogen fumarate–methanol (1/1/1)

The structure of the title complex, 6-ethenyl­deca­hydro-5-hydroxy-4,6,9,10-tetra­methyl-1-oxo-3a,9-propano-3aH-cyclopenta­cyclo­octen-8-yl [2-(diethyl­ammonio)­ethyl­sulfanyl]­acet­ate (E)-3-carboxy­prop-2-enoate methanol solvate, C28H48NO4S+·C4H3O4−·CH4O, is presented. The cation of the complex consists of an eight-membered ring with boat–chair conformation, a six-membered ring with a chair conformation and a five-membered ring with a twisted conformation. The fumarate anion adopts an E configuration. The methanol mol­ecule is linked to the cation and the anion by O—H⋯O hydrogen bonds. A network of O—H⋯O, N—H⋯O and C—H⋯O intermolecular hydrogen bonds links the mol­ecules, forming a layered structure.
Magnetism of organic radical molecules confined in nanospace of single-wall carbon nanohorn

The temperature and magnetic field dependences of magnetic characteristics of an organic radical (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPOL)) adsorbed on oxidized single-wall carbon nanohorn (ox-NH) were studied with a SQUID magnetometer and an electron spin resonance (ESR) spectrometer. TEMPOL molecules adsorbed on ox-NH do not form any ordered structures, but the formation of disordered clusters was suggested because of intensive restriction by nanoconfinement. Exchange interaction of TEMPOL adsorbed on ox-NH was weaker than that of bulk TEMPOL. Slow relaxation phenomena of magnetization and paramagnetic behaviors were observed by confinement of TEMPOL in nanospace.
Collision of hydrogen atom with single-walled carbon nanotube: Adsorption, insertion, and healing

Interaction of hydrogen atom with (5, 5) single-walled carbon nanotube (SWNT) has been studied over the collision energy range from 1 to 30 eV using a molecular dynamics simulation method. In the energy interval of 1–3 eV, the hydrogen atom can be chemisorbed on the outer wall of the SWNT, provided the impact point is near a vertex carbon atom of a hexagon. The lowest incident energy needed for a hydrogen atom to pass through a hexagon ring on the SWNT is estimated to be 14 eV. Hydrogen atoms that enter into the SWNT would either be encapsulated in it to form endohedral H@tube complex, or escape out of it. The hole on the sidewall of the nanotube induced by the collision of hydrogen atom can be healed after relaxation for several picoseconds.
Ester Formation by Alcohol Acetyltransferase from Brewers’ Yeast

Alcohol acetyltransferase responsible for the formation of acetate esters during beer fermentation was found to be localized at the cell membrane of brewers’ yeast. This cell membrane-bound enzyme was purified 120-fold by solubilization with Triton X-100, gel filtration on a Sepharose 6B column and chromatography on a DEAE-Sephadex A-50 column. The enzyme was most active at 30°C at pH 7 ˜ 8. It was least active against C3 alcohol among C1 ˜ C6 alcohols, and slightly more active against straight-chain alcohols than against branched-chain alcohols with the same carbon number. The enzyme was strongly inhibited by unsaturated fatty acids, heavy metal ions and sulfhydryl reagents.
The complementary use of X-ray and neutron diffraction in the study of crystals

Neutrons and X-rays interact differently with atoms in crystals. While X-rays primarily give information on electron distributions, neutrons report on nuclear positions, and, through the spin interaction, are sensitive to magnetic structure. These and other differences have been exploited for many years in, for example, X-N difference studies and in determining magnetic structure. The major differences in available X-ray and neutron incident-beam intensities have also influenced the ways in which the two probes are exploited; not only are neutron sources inherently weaker, but this disadvantage is heightened by the weaker neutron-nucleus interaction. Advances in sources of both types, coupled with developments in instrumentation, have enabled not only the relative strengths to be exploited more effectively, but also some of the respective weaknesses in both techniques to be at least partially overcome. After outlining the main relevant advantages of X-rays and neutrons, and specifically of pulsed spallation neutron sources, this paper will discuss some of the scientific areas in which these various advantages are being increasingly exploited with advanced sources and instrumentation. Although the examples focus in particular on studies of structure and disorder in powder samples, including work at high pressures, some attention is given to hydrogen location in, and diffuse scattering from, single crystals. Finally, a personal forward look towards possible future developments is offered.
Synthesis of gallium phosphide nanowires via sublimation method

Gallium phosphide nanowires were synthesized by sublimation of ball-milled powders and are straight, cylindrical, and smooth in surface, with mean diameter of 40 nm and length up to 300 μm; they have a single-crystalline zinc blende structure with [111] growth direction; X-ray diffraction and Raman spectroscopy reveal a high degree of crystallinity of the nanowires; photoluminescence, exciting with a 458 nm laser line, shows a broad donor–acceptor pair peak and its replicas in the energy range 2.05–2.20 eV.
Fluidized‐Bed reactor model verification on a reactor of industrial scale

Previous published comparisons between fluidized-bed reactor models and experimental data have almost exclusively been in laboratory and pilot-plant scale equipment. This paper compares data obtained in an industrial phthalic anhydride reactor of 2. 13 m dia. using naphthalene as the feedstock with three models, the Kato and Wen bubble-assemblage model, the Kunii and Levenspiel three-phase bubbling-bed model, and Grace's two-phase bubbling-bed model. For the conditions of operation (U = 0.43 m/s, dp = 53 μm, H = 7.9 m, T = 636 K), all three models give similar predictions and each gives a good overall prediction of the conversion and selectivity if the reaction kinetics are based on the early study of DeMaria et al. (1961). Hydrodynamic parameters needed for the models are calculated from equations available in the literature. Grid and freeboard effects appear to play relatively minor roles in determining the overall conversion and yields for the reactor in question.