Miracle-dz/UniFAR-FTUs huggingface dataset:
Simulating and evaluating small-angle X-ray scattering of micro-voids in polypropylene during mechanical deformation

Micro-voids that evolve during mechanical deformation in polypropylene have been characterized by small-angle X-ray scattering. Such voids can be modelled as randomly distributed cylinders which are oriented along the stretching direction, showing a log-normal size distribution. The model and simulation results are presented here. Advantages and disadvantages of the approach, the validity of the model, and important considerations for data evaluation are discussed. Data analysis of two-dimensional scattering images has been performed using a fully automated MATLAB routine by direct model fitting to scattering images.
Seizure localisation with attention-based graph neural networks

In this paper, we introduce a machine learning methodology for localising the seizure onset zone in subjects with epilepsy. We represent brain states as functional networks obtained from intracranial electroen-cephalography recordings, using correlation and the phase locking value to quantify the coupling between different brain areas. Our method is based on graph neural networks (GNNs) and the attention mechanism, two of the most significant advances in artificial intelligence in recent years. Specifically, we train a GNN to distinguish between functional networks associated with interictal and ictal phases. The GNN is equipped with an attention-based layer that automatically learns to identify those regions of the brain (associated with individual electrodes) that are most important for a correct classification. The localisation of these regions does not require any prior information regarding the seizure onset zone. We show that the regions of interest identified by the GNN strongly correlate with the localisation of the seizure onset zone reported by electroencephalographers. We report results both for human patients and for simulators of brain activity. We also show that our GNN exhibits uncertainty on those patients for which the clinical localisation was unsuccessful, highlighting the robustness of the proposed approach.
Computing Narrative

Presuming it is possible to produce an analytic model of narrative representable in the architecture of computation, other affordances of digital media should be adaptable to empirical, quantitative inquiry of stories and their structure. Computing Narrative is a brief description of some projects attempting those representations and the implications thereof for critical inquiry of stories and their structure.
Glycosyl Phosphatidylinositol (GPI) Anchor Synthesis Based on Versatile Building Blocks – Total Synthesis of a GPI Anchor of Yeast

For the design of a synthesis of target molecule 1 the retrosynthetic analysis yielded building blocks 2–5, of which ceramide 2-phosphite derivative 2 and aminoethyl phosphite derivative 5 are known. The generation of α-glucosaminyl (16)inositol building block 3 was based on pseudodisaccharide 6 which was selectively benzoylated at 6b-O and then selectively benzylated at 3b-O to give 3. The synthesis of tetramannosyl building block 4 started from known ortho ester derivative 8 which was transformed into versatile mannosyl donors 13 and 18 and into acceptor 22. Reaction of 13 with 22 gave α-disaccharide 23, deacetylation and then mannosylation with 18 gave trisaccharide 25; ensuing deacetylation and mannosylation with 13 gave tetrasaccharide 27; deallylation, acetylation, regioselective removal of the anomeric O-acetyl group and treatment with CCl3CN/DBU afforded 4. Glycosylation of 3 with donor 4 led to pseudohexasaccharide 31 in high yield. Replacement of the O-acyl groups by O-benzyl groups and then exchange of the menthyloxycarbonyl group by an O-acetyl group gave 36 which enabled regioselective attachment of 2 and 5. To this end, the 6e-O-silyl group was removed and then the aminoethyl phosphate residue was attached with reagent 5 to give 38 in high yield. 1a-O-Deacetylation and then reaction with 2 afforded 40 as fully protected 1 which was liberated in two steps; treatment with acid removed all acid labile protective groups and finally catalytic hydrogenation afforded the desired GPI anchor 1 which could be fully structurally assigned.
Fundamental boron–oxygen‐related carrier lifetime limit in mono‐ and multicrystalline silicon

Boron‐doped crystalline silicon is the most relevant material in today's solar cell production. Following the trend towards higher efficiencies, silicon substrate materials with high carrier lifetimes are becoming more and more important. In silicon with sufficiently low metal impurity concentrations, the carrier lifetime is ultimately limited by a metastable boron–oxygen‐related defect, which forms under minority‐carrier injection. We have analysed 49 different Czochralski‐grown silicon materials of numerous suppliers with various boron and oxygen concentrations. On the basis of our measured lifetime data, we have derived a universal empirical parameterisation predicting the stable carrier lifetime from the boron and oxygen content in the crystalline silicon material. For multicrystalline silicon it is shown that the predicted carrier lifetime can be regarded as a fundamental upper limit. Copyright © 2005 John Wiley & Sons, Ltd.
Study of Harmonic Suppression of Ship Electric Propulsion Systems

This paper studies the harmonic characteristics of ship electric propulsion systems and their treatment methods. It also adopts effective measures to suppress and prevent ship power systems from affecting ship operation due to the serious damage caused by harmonics. Firstly, the harmonic characteristics of a ship electric propulsion system are reviewed and discussed. Secondly, aiming at problems such as resonant frequency and filter characteristics variations, resonance point migration, and unstable filtering performances in conventional passive filters, a method for fully tuning of a passive dynamic tunable filter (PDTF) is proposed to realize harmonic suppression. Thirdly, to address the problems of the uncontrollable inductance L of traditional air gap iron core reactors and the harmonics of power electronic impedance converters (PEICs), this paper proposes an electromagnetic coupling reactor with impedance transformation and harmonic suppression characteristics (ECRITHS), with the internal filter (IF) designed to suppress the harmonics generated by PEICs. The ECRITHS is characterized by both harmonic suppression and impedance change. Fourthly, the ECRITHS is investigated. This investigation includes the harmonic suppression characteristics and impedance transformation characteristics of the ECRITHS at the fundamental frequency, which shows the good performance of the ECRITHS. Simulation and experimental evaluations of the PDTF are carried out. Multiple PDTFs can be configured to realize multi-order simultaneous dynamic filtering, and can effectively eliminate the current harmonics of ship electric propulsion systems. This is done to reduce the total harmonic distortion (THD) of the supply currents to well below the 5% limit imposed by the IEEE-519 standard. The PDTF also can eliminate harmonic currents in different geographic places by using a low voltage distribution system. Finally, a detailed discussion is presented, with challenges and future implications discussed. The research results are intended to effectively eliminate the harmonics of ship electric power propulsion systems and to improve the power quality of ship power systems. This is of theoretical and practical significance for improving the power quality and power savings of ship power systems.
Intramolecular oxygen-18 isotopic exchange in the gas phase observed during the tandem mass spectrometric analysis of peptides

Fast atom bombardment/tandem mass spectrometry of protonated and metal cationized peptides has revealed evidence for novel intramolecular rearrangements in the gas phase. Second generation product ion scanning (MS/MS/MS) analyses of the protonated ({sup 18}O{sub 2}) analogues established that both isotope labels are located at the new C-terminus formed via the rearrangement. The kinetic energies released during the formation of the ({sup 18}O{sub 1})-and ({sup 18}O{sub 2})-labeled rearrangement products are indistinguishable, consistent with the involvement of a common intermediate. First generation product ion spectra (MS/MS) of protonated ({sup 18}O{sub 2})-peptides include fragments arising from simple peptide bond cleavage which show isotope enrichments consistent with immediate precursor ions which incorporate ({sup 18}O) at the peptide bond between the penultimate and C-terminal amino acid residues. Several lines of evidence eliminate the possibility of such incorporation of label during solution-phase preparation of the ({sup 18}O{sub 2})-labeled analogues. Thus, the combined data are in accord with an isotope exchange process occurring in the gas phase, most likely through a mechanism involving the reversible formation of a cyclic intermediate. These studies, combined with previous data, emphasize the importance of the conformations adopted by gas-phase peptide ions in influencing fragmentation pathways. 30 refs., 8 figs.
PLATELET-LIKE PARTICLES RELEASED BY INHIBITION OF DNA SYNTHESIS IN THE HUMAN-MEGAKARYOBLASTIC LEUKEMIA CELL LINE, MEG-01s

The human megakaryoblastic cell line, MEG-01s, released particles identified by a characteristic marginal microtubule bundle and by the localization of platelet-specific glycoprotein (GPIlb/Illa) in the plasma membrane, detected by an immunofluorescence method. The fluorescence image and size of these particles were similar to these features in human blood platelets. To analyze the regulation of particle release by MEG-01s, the effects of DNA synthesis inhibitors, tumor promoters, and protein kinase inhibitors on these cells were examined by an immunofluorescence method. The release of particles from MEG-Ols cells was enhanced by inhibitors of DNA synthesis : aphidicolin, 5-bromodeoxyuridine, 5-fluorodeoxyuridine, hydroxyurea, etoposide, and camptothecin. The particle release was specific to the MEG-01s cells, and did not occur in the myeloid leukemic cells, HL-60. These results suggest that the cessation of DNA synthesis may trigger terminal differentiation by synthesis of factors involving particle release by MEG-01s.
Small‐angle scattering by fractal systems

Fractal structures are characterized by self similarity within some spatial range. The mass distribution in a fractal object varies with a power D of the length R, smaller than the dimension d of the space. When the range of physical interest falls below 1000 A, scattering techniques are the most appropriate way to study fractal structures and determine their fractal dimension D. Small-angle neutron scattering (SANS) is particularly useful when advantage can be taken of isotopic substitution. It is easy to show that the scattering law for a fractal object is given by S(Q), ~ Q−D, where Q is the magnitude of the scattering vector. However, in practice some precautions must be taken because, near the limits of the fractal range, there are important deviations from this simple law. Some relations are derived which can be applied in relatively general situations, such as aggregation and gelation. The effects of polydispersity, important, in particular, in situations described by percolation models, are also shown.
The E(k) Relation for a Two‐Band Scheme of Semiconductors and the Application to the Metal‐Semiconductor Contact

The E(k) behaviour is calculated for a two-band scheme as an approximation for the vicinity of the forbidden gap of a semiconductor. An estimate is given for the validity of the effective mass approximation in the forbidden gap. Application is made to the metal-semiconductor contact and it is shown that this model describes the experiments for semiconductors ranging from covalent to the ionic type. Der E(k)-Verlauf wird berechnet fur das Zweibandmodell eines Halbleiters als Naherung fur die Umgebung der verbotenen Zone. Eine Abschatzung fur die Gultigkeit der Effektivmassen-Approximation in der verbotenen Zone wird angegeben. Die Anwendung auf den Metall-Halbleiter-Kontakt zeigt, das durch dieses Modell die Experimente fur Halbleiter vom kovalenten bis zum ionischen Typ gut wiedergegeben werden.
Response of Si and GaP p‐n Junctions to a 5‐ to 40‐keV Electron Beam

This paper reports the use of the scanning electron beam technique for a determination of diffusion lengths in Si and GaP p‐n junctions and of the recombination cross section of dislocations in n‐type Si. This determination is based on the measurement of the current generated in reverse‐biased Si and GaP p‐n junctions by an electron beam of 5–40 keV energy. After applying corrections for backscattered and secondary emitted electrons the junction current determined experimentally is compared with calculated values using known principles of charge collection in p‐n junctions. Diffusion lengths on both sides of the depletion region enter the calculations as free parameters which are adjusted to fit the experimental data. The experiments described are directly related to the display of lattice defects previously investigated by the same technique.Si p‐n junctions: The experiments lead to a diffusion length profile in the phosphorus diffused n region which qualitatively can be understood from the concentration.
Temperature Effects of Trickle-Bed Biofilter for Treating BTEX Vapors

Effects of temperature change in the range of 15–50°C on the performance of a trickle-bed biofilter for treating benzene, toluene, ethylbenzene and o-xylene (BTEX) vapors in air streams were investigated. In the steady-state condition, the BTEX removal efficiency increased as the operating temperature increased in the range of 15–30°C. However, an opposite trend was observed between 30 and 50°C. The trickle-bed biofilter appears to be an effective treatment process in the temperature range of 25–35°C. The microscopic observations showed that the morphologies of the leading microorganisms within the first-stage biofilm were rod-shaped bacteria in association with filaments, bacilli, and cocci at 15, 30, and 50°C, respectively. A theoretical evaluation on the temperature coefficient (θ) indicated that the temperature effects on the performance of a trickle-bed biofilter are more significant under lower BTEX loading rates. Furthermore, the mean θ value for a trickle-bed biofilter was equal to 1.021, which is.
Characterization of Aroma Active Compounds of Cumin (Cuminum cyminum L.) by GC-MS, E-Nose, and Sensory Techniques

Profiling of cumin (Cuminum cyminum L.) essential oils, from eight samples (S1–S8) grown in different regions of India, was carried out by gas chromatography-mass spectroscopy, gas chromotography-olfactometry, sensory profiling, and electronic nose techniques. GC-MS analysis showed that the major compounds present in cumin were cuminal (8–17%), β-pinene (22–27%), β-myrcene (1.3–1.75%), ρ-cymene (23–39%), γ-terpinene (11–27%), and ρ-mentha-1,4-dien-7-ol (1.0–5.5%). γ-Terpinene content was 26.36 and 27.73% in S7 and S8 samples, which were collected from the northern region of India, respectively. Sensory odour profiling indicated that samples S7 and S8 had significantly (p ≤ 0.05) higher intensity of floral, cumin-like, and citrussy aroma notes. Principal component analysis revealed that samples S7 and S8 were associated more with floral, citrussy, and cumin-like aroma notes. An electronic nose was found useful to differentiate odour pattern. This study revealed the differences in odour profile of cumin samples of different regions. Thus, these results are useful in the development of designer flavours foods containing spice essential oil.
The Anelastic Approximation: Magnetic Buoyancy and Magnetoconvection

In this thesis I discuss a series of anelastic approximations and detail the assumptions used in the derivation. I derive an entropy and temperature formulation of the anelastic approximation along with a simplification to the entropy formulation introduced by Lantz (1992) and independently by Braginsky & Roberts (1995). I assess range of applicability of the anelastic approximation, which is often used in describing the dynamics of geophysical and astrophysical flows. I consider two linear problems: magnetoconvection and magnetic buoyancy and compare the fully compressible solutions with those determined by solving the anelastic problem. I further compare the Lantz-Braginsky simplification with the full anelastic formulation which I find to work well if and only if the atmosphere is nearly adiabatic. I find that for the magnetoconvection problem the anelastic approximation works well if the departure from adiabaticity is small (as expected) and determine where the approximation breaks down. When the magnetic field is large then the anelastic approximation produces results which are markedly different from the fully compressible results. I also investigate the effects of altering the boundary conditions from isothermal to isentropic and the effect of stratification on how some of the parameters scale with the Chandrasekhar number. The results for magnetic buoyancy are less straight-forward, with the accuracy of the approximation being determined by the growth rate of the instability. I argue that these results make it difficult to assess a priori whether the anelastic approximation will provide an accurate approximation to the fully compressible system for stably stratified problems. Thus, unlike the magnetoconvection problem, for magnetic buoyancy it is difficult to provide general rules as to when the anelastic approximation can be used. When the instability grows quickly or the magnetic field is large the results do not compare well with the fully compressible equations. I outline a method for a two-dimensional non-linear time-stepping computer program and explain some problems with current non-linear programs.
Vanadium oxide thin films for bolometric applications deposited by reactive pulsed dc sputtering

Vanadium oxide (VOx) thin films were deposited by reactive pulse dc magnetron sputtering process using a pure vanadium metal target. The structural, microstructure, and electrical properties were correlated as a function of processing parameters such as substrate temperature, Ar:O partial pressures ratios, and pulsed dc power to fabricate these films. The VOx films deposited at various substrate temperatures between 30 and 300°C using a range of oxygen to argon partial pressure ratios exhibited huge variation in their microstructure even though most of them are amorphous to x-ray diffraction technique. In addition, the electrical properties such as temperature coefficient of resistance (TCR), resistivity, and noise levels were influenced by film microstructure. The TCRs of the VOx films were in the range of −1.1%to−2.4%K−1 having resistivity values of 0.1–100Ωcm. In particular, films grown at lower substrate temperatures with higher oxygen partial pressures have shown finer columnar grain structure and ex.
Photocatalytic mineralization of methylene blue from water by a heterogeneous copper-titania nanocomposite film

Abstract Copper-doped nanostructure titania film was successfully prepared using the sol–gel method. The phase structure, thermal, microstructure, and surface properties were characterized by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy, scanning electron microscopy, reflectance spectroscopy (Ultraviolet Diffuse Reflectance [UV-DRS]), and thermal analysis (Thermal gravimetric differential thermogravimetry [TG-DTG]). XRD showed that titania consisted of 92% anatase and 8% rutile crystalline phases. The results obtained have shown that these systems can degrade methylene blue (MB) as a model environmental pollutant in wastewater. The degradation rate of MB in the presence of copper-doped titania at optimized conditions was higher than that for bare titania. MB is almost completely mineralized to carbon dioxide, nitrate, and sulfate ion by the photocatalytic method. The results showed that no significant fraction of copper-titania residues was released from the film in water. This investigat.
UV-curable pressure sensitive adhesive films: effects of biocompatible plasticizers on mechanical and adhesion properties

We developed a new approach to fabricate pressure sensitive adhesive (PSA) hydrogel films for dermatological applications. These hydrogel films were fabricated using polyvinylpyrrolidone (PVP), poly(ethylene glycol) diacrylate (PEGDA) and polyethylene glycol (PEG) with/without propylene glycol (PG) via photo-polymerization. Hydrogel films with a thickness ranging from 130 to 1190 μm were obtained. The surface morphology and drug distribution within the films were found to be uniform. The effects of different factors (polymeric composition, i.e., PEG/PG presence and film thickness) on the functional properties (i.e., rheological and mechanical properties, adhesion performance and drug distribution) of the films were investigated. The addition of plasticizers, namely PEG and PG, resulted in a simultaneous increase in elasticity and adhesiveness of these hydrogels, via the formation of hydrogen bonds, which has a direct correlation with their adhesion properties. The new approach is potentially useful for industrial applications, due to the simple procedure, precise control over film thickness, minimal usage of solvents and adjustable mechanical, rheological and adhesive properties.
Selected Ion Flow Tube Studies of Air Plasma Cations Reacting with Alkylbenzenes

Rate constants and product branching fractions are reported for reactions of the air plasma cations NO{sup +}, O{sub 2}{sup +}, O{sup +}, N{sup +}, and N{sub 2}{sup +} with several alkylbenzenes: toluene, ethylbenzene, n-propylbenzene, and m-xylene. The measurements were made using a selected ion flow tube (SIFT) apparatus at 300 K. All reactions were found to proceed at the collision rate. NO{sup +} reactions yield exclusively nondissociative charge-transfer products. C{sub 7}H{sub 7}{sup +} is the dominant product ion observed in all the O{sup +}, N{sup +}, and N{sub 2}{sup +} reactions. Charge transfer and formation of C{sub 7}H{sub 7}{sup +} are the major product channels in the O{sub 2}{sup +} reactions. Product distributions were converted to crude breakdown diagrams, showing the relative abundance of each product ion as a function of the reactant ion recombination energy. The flow tube results exhibit a shift in the product ion threshold energies, an effect attributed to a kinetic shift resulting from slow fragmentation of the excited charge-transfer complex combined with collisional stabilization of the complex by the He buffer gas. Two isomeric forms of the C{sub 7}H{sub 7}{sup +} product ion are produced in these reactions: the benzyl (Bz{sup +}) and tropylium (Tr{supmore » +}) cations. The Bz{sup +}/Tr{sup +} isomeric mixture ratio was quantified as a function of energy for all four alkylbenzenes. Changes in the Bz{sup +}/Tr{sup +} mixture suggest that ethylbenzene has a relatively larger reverse activation barrier compared with toluene for forming Tr{sup +} from the charge-transfer complex, while formation of Tr{sup +} from the larger alkylbenzenes probably proceeds via a different mechanism altogether. For m-xylene, the formation of both Bz{sup +} and Tr{sup +} isomers likely proceeds via a different mechanism than for the n-alkylbenzenes. « less