Miracle-dz/UniFAR-FTUs huggingface dataset:
The Effects of Different Plasticizers on the Properties of Thermoplastic Starch as Solid Polymer Electrolytes

Plasticizers with amide groups (urea and formamide) and polyols (glycerol, glucose, and sorbitol) were used to prepare thermoplastic starch (TPS) containing NaCl salt as solid polymer electrolytes (SPE). Fourier Transform infrared (FT-IR) spectroscopy revealed that both plasticizers and Na + could form the interaction with starch, and plasticizers containing amide groups had stronger hydrogen bond-forming abilities with starch than polyols. These interactions prevented starch molecules from crystallizing again, indicated by X-ray diffraction (XRD). Scanning electron microscope (SEM) showed that starch granules were in a molten state and a continuous phase of TPS was formed. Among TPS as SPE, formamide-plasticized TPS (FPTPS) had the largest elongation at break and lowest tensile stress. The conductance of TPS was sensitive to water. TPS plasticized by solid plasticizers had the higher sensitivity of the conductance to water contents at the low water contents (<0.1). The relationship of the conductance and water contents was in agreement with the second-order polynomial correlation when water contents were below 0.45. FPTPS had the best conductance as a whole. At the medium water content (0.2), the conductance of FPTPS containing NaCl was about 10 -3 3 S cm -1 .
Modulation of Human Beta-Defensin 2 Expression by Pathogenic Neisseria meningitidis and Commensal Lactobacilli

Antimicrobial peptides (AMPs) play an important role in the defense against pathogens by targeting and killing invading microbes. Some pathogenic bacteria have been shown to negatively regulate AMP expression, while several commensals may induce AMP expression. ABSTRACT Antimicrobial peptides (AMPs) play an important role in the defense against pathogens by targeting and killing invading microbes. Some pathogenic bacteria have been shown to negatively regulate AMP expression, while several commensals may induce AMP expression. The expression of certain AMPs, such as human beta-defensin 2 (hBD2), can be induced via nuclear factor NF-κB, which, in turn, is negatively controlled by tumor necrosis factor alpha-induced protein 3 (TNFAIP3, or A20). In this work, we examined the expression of hBD1 and hBD2 during coincubation of pharyngeal epithelial cells with pathogenic Neisseria meningitidis and commensal lactobacilli. The Lactobacillus strains induced hBD2 expression in human pharyngeal cells, while the pathogen N. meningitidis did not. In coincubation experiments, meningococci were able to dampen the AMP expression induced by lactobacilli. We found that N. meningitidis induced the NF-κB inhibitor A20. Further, RNA silencing of A20 resulted in increased hBD2 expression after meningococcal infection. Since it is known that induction of A20 reduces NF-κB activity and thus hBD2 levels, meningococcal-mediated A20 induction could be a way for the pathogen to dampen AMP expression. Finally, treatment of N. meningitidis and lactobacilli with synthetic hBD2 reduced N. meningitidis viability more efficiently than Lactobacillus reuteri, explaining why maintaining low AMP levels is important for the survival of the pathogen.
Synthesis, Crystal Structure, and Luminescence Properties of a New Calcium(II) Coordination Polymer Based on L-Malic Acid

A new calcium coordination polymer [Ca(HL-MA)]n (H3L-MA = L-malic acid) has been solvothermally synthesized. The structure of the newly synthesized complex has been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, reflectance UV-Vis & IR spectra, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The single crystal structure analysis showed that the complex forms three-dimensional framework. The new Ca(II) complex has displayed very high thermal stability which was inferred from TGA and PXRD results. As far as the optical property of the new complex is concerned, the complex emitted its own characteristic sensitized luminescence.
Lewis-Base Adduct of Iodo-Bridged Lead(II) Compound Constructed From Phenanthroline Derivative: Structure and Properties

A new Lewis-base adduct of the iodo-bridged lead(II) compound {[PbI2(DPP)]·DMF} n (1) (DPP = 4,7-diphenyl-1,10-phentheanthroline) has been synthesized and structurally determined. The compound 1 crystallizes in the monoclinic system, space group P21/a, with unit cell parameters a = 9.1129(3), b = 24.0033(5), c = 24.4016(6) Å, β = 95.9460(9)°, V = 5308.9(2) Å3, Z = 8, M r = 866.48, D c = 2.168g/cm3, F(000) = 3216, μ(MoKα) = 8.706, and the final R = 0.0373 and wR = 0.0902 for 9408 observed reflections with I ≥ 2σ(I). In 1, the lead centers are in a distorted octahedral environment with stereochemical active 6s2 lone pair, and a one-dimensional chain via edge-sharing of PbI4N2 octahedra can be observed. Furthermore, π···π interaction and hydrogen bonds contribute to the formation of a three-dimensional (3-D) network. The optical band gap of 1 is 2.66 eV, judged from the absorption spectrum. Its fluorescence has also been discussed. Density function theory (DFT) calculation was executed for its electronic structure.
Efficient evaluation of the Coulomb force in density-functional theory calculations

The Coulomb force in density-functional theory calculations is efficiently evaluated based on a partitioning into near-field (NF) and far-field (FF) interactions. For the NF contributions, a J force engine method is developed based on our previous J matrix engine methods, and offers a significant speedup over derivative electron repulsion integral evaluation, without any approximation. In test calculations on water clusters and linear alkanes, the computer time for the NF force is reduced by a factor of 5–7 with a 3-21G basis set and 6–8 with a 6-31G** basis set. The FF force is treated by a generalization of the continuous fast multipole method, and the FF computational cost is found to be comparable to that of an energy evaluation.
Thermally driven tall cavity flows in porous media

Thermally driven flows in a two-dimensional rectangular cavity filled with a fluid-saturated porous medium are considered when the applied temperature difference is perpendicular to the gravity vector. The flow depends on two non-dimensional parameters, the Darcy–Rayleigh number A and the cavity aspect ratio h (height/length). Steady motion is generated by maintaining the vertical sidewalls at different constant temperatures and the present study is concerned with the limit of large aspect ratio, h –> ∞, where nonlinear convective flow occurs near each end of the cavity. This flow is analysed by asymptotic methods for small and large values of A and is computed numerically for other values of A. Predictions of the heat transfer across the cavity are obtained and are compared with the results of full numerical simulations.
A fast plasma analyser for the study of the solar wind interaction with Mars

This thesis describes the design and development of the FONEMA instrument to be flown aboard the Russian mission to Mars in 1996. Many probes have flown to Mars yet despite this many mysteries still remain, among them the nature of the interaction of the solar wind with the planetary obstacle. In this thesis I will present some of the results from earlier spacecraft and the models of the interaction that they suggest paying particular attention to the contribution of ion analysers. From these results it will become clear that a fast ion sensor is needed to resolve many of the questions about the magnetosphere of Mars. The FONEMA instrument was designed for this job making use of a novel electrostatic mirror and particle collimator combined with parallel magnetic and electrostatic fields to resolve the ions into mass and energy bins. Development and production of the individual elements is discussed in detail.
Superstructural model for small-angle x-ray scattering: application to nylon 6 fiber

Presentation d'un modele de superstructure de fibres permettant d'interpreter les donnees de SAXS, modele combinant la theorie paracristalline de Hosemann au modele structural lamellaire propose par Keller. Application au diagramme de SAXS de fibres de nylon 6, pour lesquelles des valeurs correctes sont obtenues pour les dimensions du macroreseau, les fluctuations et les distributions d'orientation
Analysis of wood tissues by time-of-flight secondary ion mass spectrometry

Abstract The distribution of lignin, carbohydrates, and metal ions on the surface of spruce and aspen wood tissue sections was investigated by time-of-flight secondary ion mass spectrometry (ToF-SIMS). The distribution patterns of metals and lignin in ray cells, vessels, and fibres were different, whereas carbohydrates were uniformly distributed across the sections of all morphological regions. In spruce sapwood, Ca, Mg, Na, K, Fe locations was more pronounced in the bordered pit tori and inner layer of ray parenchyma cells. Little lignin was detected in these regions. In spruce heartwood, the degree of lignification was low on the surfaces of bordered pit tori; however, Na and K were not detected here. In compression wood from spruce, the locations of p-hydroxyphenyl and guaiacyl units was different in cell wall layers. In aspen sapwood, the main locations of Ca, Mg, Na, K were in lumina of longitudinal parenchyma cells and in pits between vessels and ray cells. Low-intensity signals of the secondary ions assigned to lignin were found in the same morphological regions.
High-temperature surface enhanced Raman spectroscopy for in situ study of solid oxide fuel cell materials

In situ probing of surface species and incipient phases is vital to unraveling the mechanisms of chemical and energy transformation processes. Here we report Ag nanoparticles coated with a thin-film SiO2 shell that demonstrate excellent thermal robustness and chemical stability for surface enhanced Raman spectroscopy (SERS) study of solid oxide fuel cell materials under in situ conditions (at ∼400 °C).
Microscopic Protonation/Deprotonation Equilibria of the Anti‐Inflammatory Agent Piroxicam

The microscopic ionization behavior of piroxicam was investigated using two different approaches, i.e., direct UV spectroscopy and an indirect analogue approach (deductive method). The best microscopic pK(a) values (PKa12 = 4.60, pK(a21) = 5.40, pK(a22) = 2.72, and pK(a11) = 1.92) were obtained by the deductive method using as pK(a22) the pK(a) of the enolic O-methylated piroxicam 2. The results show remarkable electrostatic effects in the protonation/deprotonation equilibria, a marked increase in the acidity of the enolic function (2.68 pK(a) units) being caused by the pyridinium group. The electronic structure of piroxicam was studied based on H-1-NMR chemical shifts at various ionization states, indicating an extended electron conjugation through the molecule. The partition measurements in octan-1-ol/H2O of zwitterionic compound 3 (the pyridyl N-methyl derivative of piroxicam (1)) suggest that the two opposite charges in zwitterionic piroxicam are indeed in a close intramolecular proximity
Generációs gondolkodás - A Z és az Y generáció életstílus csoportjai

The relationship between current generations and the ones that grow up has always been ambivalent. The environment including the scientific-technical conditions and cultural- economic relations which surrounds the generations is changing significantly. Thus the socialization of new generations takes place under these altered circumstances, which means that they are not the same as the former young generations. Acceptance of new values and understanding of new behavioral patterns are difficult for parents, teachers and also for decision makers. In this article, a generational approach is applied to analyze today’s emerging young generation. The study presents the results of the research conducted with questionnaires and it highlights the lifestyle characteristics of today’s 15-24-year-old young people in Hungary, who are members of either Generation Z or the late Generation Y. This topic appears in the research of several academic fields, and the conclusion of the research can not only support the development of the theory, but the practical decisions as well.
Ni/Au hybrid nanoparticle arrays as a highly efficient, cost-effective and stable SERS substrate†

A large-area cost-effective Ni/Au hybrid nanoparticle array is synthesized with a proposed versatile and simple process by depositing Au on the pre-prepared arrays of Ni particles with ultra-thin alumina membranes as shadow mask during the deposition. A highly efficient and stable surface enhancement Raman scattering (SERS) substrate could be obtained from utilizing the resulting regular pattern of Ni/Au NP arrays. As compared with the single Au NP arrays, a largely decreased Au evaporation thickness and much lesser Au is needed for achieving the same Raman enhancement factor for the Ni/Au NP arrays. Subsequent SERS spectra measurement of the crystal violet (CV) molecule detection indicate a good SERS-active sensitivity with a detection limit of 10−10 M concentration, a large Raman enhancement factor at 108 was obtained, excellent SERS signal reproducibility with a relative standard deviation (RSD) as low as 6–7% as well as a great long term stability at 10 months.
Elasticity of Biomolecules: probing, pushing and pulling using atomic force microscopy

To study the structure, function and interactions of proteins a plethora of techniques is available. Many techniques sample such parameters in non-physiological environments (e.g. in air, ice or vacuum). Atomic Force Microscopy (AFM), however, is a powerful biophysical technique that can probe these parameters under physiological buffer conditions. With the AFM in these conditions it is possible to obtain images of biological structures without requiring labeling as well as following dynamic processes in real-time. Furthermore, by operating in force spectroscopy mode, it can probe intra-molecular interactions and binding strengths. In structural biology it has proven its ability to image proteins and protein conformational changes at sub-molecular resolution and in proteomics it is developing as a tool to map surface proteomes and to study protein function by force spectroscopy methods. The power of AFM to combine studies of protein form and of protein function enables bridging various research fields to come to a comprehensive, molecular level picture of biological processes. We review the use of AFM imaging and force spectroscopy techniques and discuss the major advances of these experiments in further understanding form and function of proteins at the nano-scale in physiologically relevant environments.
Prevention of cadmium-induced alteration in rat testes and prostate lipid patterns by -tocopherol

1 body wt was administered subcutaneously, 24 hr to the termination of the study. Relative to the Cd - free control rats, cadmium significantly (P < 0.05) increased total cholesterol (CHL) levels in the testes and prostate but did not change its level in plasma. It also decreased TPL/CHL and phosphatidylcholine (PC) / phosphatidylethanolamine (PE) ratios in testes and increased sphingomyeline (SPM) / phosphatidylethanolamine (PE) ratios in the testes. However, cadmium administration increased the PC/PE and SPM/PE ratio but reduced the TPL/CHL ratio in the prostate. It appears that increased cholesterol levels within the testes and prostate and attendant membrane rigidity may be one mechanism by which cadmium causes damage to the testes and prostate. It also appears that low - medium doses of �-tocopherol can effectively protect the testes and prostate against Cd - induced damage.
Determination of thallium in environmental samples by inductively coupled plasma mass spectrometry: comparison and validation of isotope dilution and external calibration methods

Two methods of thallium quantification by inductively coupled plasma mass spectrometry were validated: isotope dilution (ID) after spiking by 203Tl and external calibration (EC) where the sum of 205Tl + 203Tl was measured. Both methods are almost specific. The results are significantly influenced only by 1000-fold excess of tungsten due to the interference of 186W17O. The limits of detection of both techniques are 0.15 ng g−1 and 0.20 ng g−1 for ID and EC, respectively. The ID technique is robust with respect to instrument parameters settings (rf power, nebulizer Ar flow and lens voltage). The results of EC analysis can be slightly affected by alteration of rf power. For the verification of accuracy of results, three approaches were applied. (1) The analysis of samples prepared from standard thallium solution gave results in agreement with theoretical values. (2) The analysis of spiked plant samples with a very low (wheat flour) and high (defatted rape-seed meal) thallium content proved the accuracy of the ID method (recovery values of 99.5 and 99.8%, respectively do not differ significantly from 100%). On the other hand, EC analysis gave recovery values of 99.2 and 101.6%, respectively, which are more than satisfactory for routine trace analysis, but owing to high precision of measurement these values are statistically different from 100%. (3) Analysis of several CRMs by ID gave results in agreement with certified values except for SRM NIST 2709 San Joaquin Soil. Results of EC analysis can be affected by the choice of internal standard. The usage of rhodium was the best choice. The repeatabilities of both analytical procedures are comparable; relative standard deviations ranged from 0.4 to 1.0%.
A Standard Procedure for the Selection of Solvents for Natural Plant Extraction in the Early Stages of Process Development

The standard procedure for the selection of solvents for natural plant extraction is a hybrid approach of solubility estimation and experimental investigations to reduce the time of solvent screening to a minimum. The focus is on the selection of a suitable solvent for natural product extraction in the early stages of process development when thermodynamic data are not yet available and solid-liquid extraction is still an alternative to other techniques. The standard procedure is implemented in Microsoft® Excel™, provides the necessary information, creates experimental test plans, performs calculations and supports the user by structured descriptions to select the most desirable solvent for extraction. In this study, its application to the natural products rebaudioside A from Stevia rebaudiana Bertoni leaves, caffeine from guarana seeds, and artemisinin from Artemisia annua leaves is demonstrated. The standard procedure predicted solvents that were found in the literature, plus solvents with even better extraction performance than the ones described in the literature.
Striated Morphology during Electrodeposition

Comparative study of striated morphologies obtained during the electrodeposition of various metals is performed using rotating electrodes. The formation of striation during electrodeposition of zinc, copper, and silver follows the streamlines of the fluid, and is observed to be accompanied by small or negative polarization resistance. The spacings between striae depends strongly on the applied current density. The spacing decreases with current density in the case of zinc and silver, however, a reverse trend is observed in the case of copper. Linear stability analysis shows that spatial multiplicity occurs when ({partial_derivative}i/{partial_derivative}C){sub {eta}} < 0. The experimentally observed spacings between striae (0.1 {approximately} 1 mm) are in agreement with the wavelength obtained from the linear stability analysis. The analysis of polarization and striation data shows fairly good qualitative agreement with respect to the effects of current density, diffusion layer thickness, and electrolyte concentration on striation.
Modelling the deep‐fat frying of beef meatballs

Mathematical models describing heat, moisture and fat transfers during deep-fat frying of beef meatballs were developed and validated against experimental data consisting of temperatures at two locations in the product, and average moisture and fat contents. Fat diffusivity in the product was 0.287×10 -7 m 2 s -1 , while fat conductivity followed Eyring's model with frequency factor of 0.137×10 -6 m s -1 K -1 and activation energy of 2.70 kJ mol -1
Surviving radicals: Promises of a microwave effect on miniemulsion polymerization for technical processes

Rapid heating in a microwave oven has unexpected effects on free radical miniemulsion polymerization: After a temperature pulse of less than 20 s, ultra-high molecular weight polystyrene was yielded at a conversion larger than 40%. These results may be explained with the model of "surviving radicals" according to which single radicals remain active inside the confined reaction space of latex particles even after the emulsion has left the microwave oven. In the pure environment of a 100 nm droplet, they cannot terminate and will polymerize all the monomer within a droplet. In this contribution, we summarize the concept of "surviving radical polymerization" and present recent results on the effects of radical-active additives and the development of a tube reactor for continuous microwave-assisted processing. These investigations highlight the potential of this method for industrial applications.
Estimation of phosphate adsorption by Acrisols of western Spain from electrical conductivity of potassium dihydrogen phosphate extracts of soil

Estimation of the phosphate adsorption capacity in highly weathered acid soils is crucial for adopting appropriate phosphate fertilization practices. In this work, the salt sorption effect was used to develop a method for estimating phosphate adsorption capacity from the decrease in electrical conductivity of a potassium dihydrogen phosphate solution brought in contact with acidic soil samples from surface and subsurface horizons of Acrisols. The method is fast and simple and requires only the use of a conductimeter.
Biodegradation of some organic flotation reagents by bacillus polymyxa

Abstract The soil bacterium Bacillus polymyxa is shown to effectively remove organic flotation collectors such as dodecyl amine, diamine, sodium isopropyl xanthate, and sodium oleate from alkaline solutions. Adsorption and bacterial growth studies indicated enhanced surface affinity of the amine collectors toward the bacterial cells. All the above organic reagents could be efficiently removed from alkaline solutions through bacterial interaction. Ultraviolet (UV)‐visible and Fourier transform infrared (FTIR) spectra during biodegradation of these reagents revealed the stages in biodegradation. Possible mechanisms are outlined.
2-Acetyl-4-methylphenyl methacrylate

The title compound, C13H14O3, was synthesized by the reaction of 2-hydr­oxy-5-methyl­acetophenone with methacryl­oyl chloride. The mol­ecular structure is stabilized by a weak C—H⋯O intra­molecular inter­action and the crystal packing is stabilized by a weak C—H⋯π inter­action and a π–π inter­action; the centroid–centroid separation and the inter­planar distance are 5.048 (2) and 3.421 A, respectively.