Miracle-dz/UniFAR-FTUs huggingface dataset:
Fine Structure of Polymer Networks As Revealed by Solvent Swelling

Measurements are reported of small-angle neutron scattering (SANS) from lightly cross-linked poly(vinyl acetate) gels swollen in good and ϑ solvents. In all the solvent conditions investigated the scattering response can be described satisfactorily by two characteristic length scales: a thermodynamic correlation length ξ that is related to the osmotic swelling pressure and a larger distance Ξ that is governed by the range of the random elastic forces exerted by the cross-links. ξ decreases significantly as the overall polymer concentration increases; the static correlation length Ξ, however, decreases only weakly as the gels shrink. For samples in a good solvent undergoing uniaxial stretching, a butterfly pattern is observed which is also well described in terms of two length scales. In ϑ conditions, however, this effect is masked by incipient phase separation in the gel in which the precipitated regions are elongated along the stretching direction.
Overview of recent developments in the flame retardancy of polycarbonates

This paper presents an overview of the recent literature on flame retardancy of polycarbonate (PC) and polycarbonate-based resins. A brief survey of the major mechanisms of thermal decomposition of PC is also presented because it gives insight in the mechanisms of flame retardant action. Mostly industrial laboratories are involved in the development of new flame retardants for PC and, to a much lesser extent, academic laboratories are doing research on the mechanistic aspects of flame retardancy. The number of patents published annually on the flame retardancy of PC and its blends significantly exceeds the number of patents on flame retardancy of any other polymer. Because PC is a naturally high charring polymer, the condensed phase active flame retardants, in particular phosphorus-based ones, are widely used in PC-based blends. Plain PC can pass stringent flame retardant tests with very low additions of some sulfur- or silicone-based flame retardants. Copyright © 2005 Society of Chemical Industry
Hawk-Eye: holistic detection of APT command and control domains

The high complexity and low volume of APT attacks has lead to limited insight into their behavior and to a scarcity of data, hindering research on effective detection techniques. In this paper we present a comprehensive study of the usage of domains in the context of the Command and Control (C&C) infrastructure of APTs, covering 63 APT campaigns spanning the last 13 years. We discuss the APT threat model, focusing in particular on evasion techniques, and collect an extensive dataset for studying APT C&C domains. Based on the gained insight, we propose a number of novel features to detect APTs, leveraging both semantic properties of the domains themselves and structural properties of their DNS infrastructure. We build Hawk-Eye, a system to classify domain names extracted from PCAP files, and use it to evaluate the performance of the various features we studied, and compare them to malicious domain detection features from the literature. We find that a holistic approach combining selected orthogonal features achieves the best performance, with an F1-score of 98.53% and a FPR of 0.35%.
Housing, Distribution and Welfare

Housing is a long‐lived asset whose value is sensitive to variations in expectations of long‐run growth rates and interest rates. When a large fraction of households has leverage, housing price fluctuations cause large‐scale redistribution and consumption volatility. We find that a practical way to insure the young and the poor from the housing market fluctuations is through a well‐functioning rental market. In practice, homeownership subsidies keep the rental market small and the housing cycle affects aggregate consumption. Removing homeownership subsidies hurts old homeowners, while leverage limits hurt young homeowners.
X-ray powder diffraction study of cesium ammonium hexachlorotellurate [Cs0.86(NH4)0.14]2TeCl6

The crystal structure of cesium ammonium hexachlorotellurate [Cs0.86(NH4)0.14]2TeCl6, has been determined using X-ray powder diffraction techniques. At room temperature, the title compound crystallizes in the cubic space group Fm3m, with a lattice parameter a=10.470(17) Å. The Rietveld refinement of the structure led to final confidence factors Rp=0.0338 and Rwp=0.0487. The structure of [Cs0.86(NH4)0.14]2TeCl6 belongs to the large family of K2PtCl6-related structures. The H atoms of the ammonium group are orientated with its apex toward Te atoms as seen in the related compound (NH4)2SiF6. An IR spectroscopic study was performed to confirm the results of the diffraction method, notably concerning the presence of the ammonium group.
Salinity Effect in Cloud Point Phenomena by Nonionic Surfactants Used in Enhanced Oil Recovery Tests

The cloud point phenomenon for solutions of polyoxyethylene (POE)-type nonionic surfactants (B, C, D, and E) in different salt concentrations was investigated. The cloud point temperature, T c , increased with elongation of the POE chain. This demonstrated that the solvophilicity of the surfactants comes from POE chain. Thus, the cloud point decreased with increase of salt concentration. Surfactants D and E were the only ones that showed cloud point temperatures above the average temperature of oil wells (~70°C), even at high concentrations of salt, and surfactant E was most suitable for enhanced oil recovery operations.
Automated Fluorescence Rejection Using Shifted Excitation Raman Difference Spectroscopy

Sample fluorescence is detrimental to Raman spectroscopic analysis. Several algorithms are proposed to achieve automatic fluorescence rejection (AFR) based on shifted excitation Raman difference spectroscopy. The algorithms are mathematically linear and can be automated. The methods are based on a wavelength-tunable laser and the measurement and calibration of both the Raman and the excitation spectra. Applying the AFR methods to highly fluorescent samples significantly reduces the fluorescence background and reveals weak Raman features unidentifiable using traditional methods. Fixed pattern “noise” associated with the background can be completely removed. The merits of each algorithm are discussed and the best excitation frequency shift to perform the analysis is found to be comparable to the widths of major Raman peaks.
Simple Holographic Patterning for High‐Aspect‐Ratio Three‐Dimensional Nanostructures with Large Coverage Area

Using the vertical standing wave phenomena commonly regarded as a deterrent in holographic lithography, multifaceted three‐dimensional (3D) nanostructures are fabricated on polymeric photoresist materials using a simple two‐beam interferometer. Large‐area 3D nanostructures with high aspect ratios (greater than 10) are readily produced using this methodology, including grating, pillar and pore patterns. Furthermore, manipulation of the lithography process conditions results in unique sidewall profiles of the nanostructures. Such 3D holographic control even produces highly porous polymer membranes composed of 3D interconnected pore networks, which resembles the 3D photonic crystal compound nanostructures that were previously attainable only with limited pattern coverage area using complex multibeam holographic lithography processes. Such well‐tailored high‐aspect‐ratio 3D nanostructures with large pattern coverage area further enable the fabrication of novel nanostructures for functionalized materials via various additive and subtractive pattern transfer techniques such as etching, deposition, and molding. In particular, direct molding followed by thermal decomposition process leads to the synthesis of hierarchical titanium oxide nanostructures of tunable 3D geometry, which would be of great significance in applications of photonic crystals, photovoltaic solar cells, and photocatalyst in water decontamination.
Possible chemical forms of cadmium and varietal differences in cadmium concentrations in the phloem sap of rice plants (Oryza sativa L.)

Abstract In rice (Oryza sativa L.), cadmium (Cd), a toxic heavy metal, is found in phloem sap and eventually accumulates in the grains. To further characterize phloem-transported Cd, the chemical forms of Cd and other metals and varietal differences in phloem sap Cd concentrations were investigated in young rice plants. The size-exclusion chromatography elution times for Cd-bound compounds indicated that phloem Cd in cv. Nipponbare exists mainly as an approximately 13 kDa complex. Protease digestion of rice phloem sap reduced the bound Cd content from 92 to 19%. The remaining Cd may bind to low-molecule SH compounds. An experiment examining in vitro addition of Cd2+ to phloem sap from non-Cd-treated plants revealed that rice phloem sap constitutively contains Cd chelators. The major Cd peak is distinguishable from those of Fe, Zn, Cu, Mn, Ni and Co, which probably bind to nicotianamine, 2′-deoxymugineic acid, citrate and histidine. The Cd concentrations of the phloem saps in three varieties (Milyang 23, LAC 23 and Koshihikari) grown under the same soil conditions were correlated with their grain Cd concentrations, which had been reported previously, whereas the concentrations of the xylem saps were not. In conclusion, rice phloem sap Cd differs from other metals as it may bind to a novel approximately 13 kDa protein and SH compounds, and the concentration of Cd in rice phloem sap may be a key determinant of its grain content.
Density Functional Study of Some Germylene Insertion Reactions

Complete geometry optimizations were carried out using density functional theory to study potential energy surfaces for the insertion of germylene into C−H bonds of methane. The GeXY + CH4 (GeXY = GeH2, GeCH2, GeH(CH3), Ge(CH3)2, GeHF, GeF2, GeHCl, GeCl2, GeHBr, and GeBr2) systems are the subject of the present study. All the stationary points were determined at the B3LYP/6-311G* level of theory. Our theoretical findings suggest that the computed structures of germylenes are in good agreement with the available experimental results, with the bond lengths and angles in agreement to within 0.04 A and 1.0°, respectively. A configuration mixing model based on the theory of Pross and Shaik has been used to develop an explanation for the barrier height as well as the reaction enthalpy. Our theoretical findings suggest that the singlet−triplet splitting (ΔEst = Etriplet − Esinglet) of the GeXY species can be used as a guide to predict its activity for insertion reactions. Thus, the major conclusion that can be d.
Model-based Policy Search for Partially Measurable Systems

In this paper, we propose a Model-Based Reinforcement Learning (MBRL) algorithm for Partially Measurable Systems (PMS), i.e., systems where the state can not be directly measured, but must be estimated through proper state observers. The proposed algorithm, named Monte Carlo Probabilistic Inference for Learning COntrol for Partially Measurable Systems (MC-PILCO4PMS), relies on Gaussian Processes (GPs) to model the system dynamics, and on a Monte Carlo approach to update the policy parameters. W.r. t. previous GP-based MBRL algorithms, MC-PILCO4PMS models explicitly the presence of state observers during policy optimization, allowing to deal PMS. The effectiveness of the proposed algorithm has been tested both in simulation and in two real systems.
Influence of Supplemental Acetate on Bioremediation for Dissolved Polycyclic Aromatic Hydrocarbons

The influence of supplemental acetate on in situ bioremediation for the removal of dissolved polycyclic aromatic hydrocarbons (PAHs) in groundwater was evaluated in laboratory sand columns. Sand columns, inoculated with a soil enrichment culture, were fed with dissolved PAHs (9 mg/L naphthalene, 0.8 mg/L phenanthrene, 0.09 mg/L pyrene), nutrients, and hydrogen peroxide to sustain aerobic microbial growth. Pore water PAH concentration profiles were obtained during the study. Determinations of viable biomass, carbohydrate, and PAH sorption capacity were obtained at the conclusion of the experimental runs. Pore water profiles indicated that PAH biodegradation capability became more quickly established after 45 days in sand columns amended with acetate versus the unamended control. The endpoint pore water PAH concentration profiles were similar for both acetate-amended and unamended columns. Higher biomass in acetate-amended columns increased the overall sorption capacity of the sand medium for PAHs by 24–47%.
Resonance enhanced electron stimulated desorption

A theory is presented which accounts for ‘‘giant’’ enhancements in electron stimulated desorption (ESD) yields from adsorbate‐covered surfaces if the incident electrons become trapped in a shape or Feshbach resonance associated with the adsorbate. The resulting temporary negative ion is displaced inwards towards the surface as a result of the force provided by the image screening charge. Upon reneutralization, the ‘‘desorbate’’ can be returned high on the dissociative repulsive wall of the neutral‐surface potential curve. This process has been modeled within the context of semiclassical Gaussian wave packet dynamics. Recent observations of such giant enhancements in the ESD yields for the system O(a)/Pd(111) are explained in terms of this model, and an atomic physics basis for the resonance in atomic oxygen is proposed.
Organic solar cells on indium tin oxide and aluminum doped zinc oxide anodes

The authors compare organic solar cells using two different transparent conductive oxides as anode: indium tin oxide (ITO) and three kinds of aluminum doped zinc oxide (ZAO). These anodes with different work functions are used for small molecule photovoltaic devices based on an oligothiophene derivative as donor and fullerene C60 as acceptor molecule. It turns out that cells on ITO and ZAO have virtually identical properties. In particular, the authors demonstrate that the work function of the anode does not influence the Voc of the photovoltaic device due to the use of doped transport layers.
Modeling of reactive sputtering of compound materials

An experimentally verified useful new model for reactive sputtering is presented. By considering the total system (target erosion, gas injection, chamber wall deposition, reactive gas gettering at all surfaces, etc.) during deposition it is possible to evaluate quite simple relationships between processing parameters. We have expanded earlier treatments to include these phenomena. The model involves that gettering of the reactive gas takes place at the target and at the walls opposite to the target. Arguments are also presented for how the sputtered materials (elemental target atoms and the formed compound) contribute to the formation of the surface composition of the walls opposite to the sputtering electrode. The mass flow of the reactive gas has been chosen as the independent parameter in this presentation. Results for partial pressure and sputter rate are presented. The theoretical values are compared with experimental results from reactive sputtering of TiN. It is also pointed out that the calculated.
Effects of ionizing radiation in ethylene‐vinyl alcohol copolymers and in composites containing microfibrillated cellulose

This study reports on the effect of gamma radiation on morphological, thermal, and water barrier properties of pure ethylene vinyl alcohol copolymers (EVOH29 and EVOH44) and its biocomposites with the nanofiller microfibrillated cellulose (2 wt %). Added microfibrillated cellulose (MFC) preserved the transparency of EVOH films but led to a decrease in water barrier properties. Gamma irradiation at low (30 kGy) and high doses (60 kGy) caused some irreversible changes in the phase morphology of EVOH29 and EVOH44 copolymers that could be associated to crosslinking and other chemical alterations. Additionally, the EVOH copolymers and the EVOH composites reduced the number of hygroscopic hydroxyl functionalities during the irradiation processing and novel carbonyl based chemistry was, in turn, detected. As a result of the above alterations, the water barrier properties of both neat materials and composites irradiated at low doses were notably enhanced, counteracting the detrimental effect on water barrier of adding MFC to the EVOH matrix. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Catalytic growth of carbon microtubules with fullerene structure

A method to grow carbon microtubules with fullerene structure (buckytubes) has been identified. The method consists of the catalytic decomposition of acetylene over iron particles at 700 °C. Carbon microtubules of up to 50 μm in length are synthesized by this method. Electron diffraction and high resolution electron microscopy studies demonstrate that the structure of these microtubules corresponds to the helical structure recently reported by S. Iijima, Nature 354, 56(1991), prepared using an arc‐discharge evaporation method.
Ultrastructural and Molecular Characterization of Sarcocystis Species Derived from Macroscopic Sarcocysts of Domestic Sheep and Goats in Soran City, Erbil, Iraq

This study aimed to identify Sarcocystis species isolated from macroscopic sarcocysts from naturally infected domestic sheep and goats using the molecular method, as well as investigating the morphological and the ultrastructural characteristics of the isolated species. A total of 1000 esophagi were collected from sheep and goats and examined for the presence of sarcocysts. Macroscopic sarcocysts were isolated from the infected esophagi, and Sarcosystis species were identified molecularly by 18S rRNA gene sequence analysis. Moreover, the ultrastructure of the sarcocysts was investigated by both scanning and transmission electron microscopy. The macroscopic sarcocysts were detected in 9.1% (91/1000) of the esophagi. The results of electron microscopy indicated the characteristic features of the macroscopic sarcocysts. The cysts contained numerous merozoites and banana-shaped bradyzoites. The bradyzoites were characterized by possessing a double-membrane pellicle and consisted of a conoid in one of the apices, numerous micronemes, two rhoptries, as well as a long, convoluted mitochondrion, subterminal nucleus, and several amylopectin granules. The partial analysis of the 18S rRNA gene presented that all isolates produced bands of expected sizes on gel electrophoresis. The findings from the phylogenetic analysis revealed that the identified Sarcocystis species were most closely related to S. gigantea, S. moulei, and S. medusiformis. To the authors’ knowledge, this is the first time S. medusiformis has been recorded in goats. Goats and sheep can be proposed as alternative intermediate hosts for S. gigantea and S. moulei, respectively, cross-infection may also occur between them and the host specificity of these species of Sarcocystis is questionable.
SOLUBILITY OF CO2 AND H2S IN A HINDERED AMINE SOLUTION

The solubility of H2S and CO2 in aqueous solutions of the sterically hindered amine, 2-amino-2-methyl-1-propanol (AMP), was determined at 40 and 100°C. Partial pressures of C)2 ranged from approximately 2 to 6000 kPa and of H2S from 2 to 2200 kPa. The solubility results were compared with previously reported acid gas solubilities in aqueous monoethanolamine (MEA) solutions.
Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Volatile compounds were isolated from fresh papaya fruit by simultaneous steam distillation-solvent extraction according to Likens–Nickerson. Compounds were identiﬁed by capillary GC–MS and sensorially characterized by snifﬁng GC. One hundred and sixty-six compounds were identiﬁed in the aroma concentrate, of which 77 were identiﬁed for the ﬁrst time as papaya volatiles. Among the identiﬁed compounds, methyl butanoate, ethyl butanoate, 3-methyl-1-butanol and 1-butanol were found to be the major components. The esters of lower fatty acids were considered to contribute much to the typical papaya ﬂavour. Copyright © 2003 John Wiley & Sons, Ltd.
Chiral Polysiloxane‐Fixed Metal 1,3‐Diketonates (Chirasil‐Metals) as Catalytic Lewis Acids for a Hetero Diels‐Alder Reaction ‐Inversion of Enantioselectivity Upon Catalyst ‐Polymer Binding

A dimethylpolysiloxane chain is covalently bound to the monomeric Lewis acid catalyst (1R)-(+)-oxovanadium(1V) bis[3- heptafluorobutanoylcamphorate] [(+)-5a] at the C-10 position of the camphor moiety yielding the novel chiral polymeric (1S)-( +)-oxovanadium(1V) bis[3-heptafluorobutanoylcamphorate] -dimethylpolysiloxane [( +)-6a][1]. The Lewis acid promoted hetero Diels-Alder reaction of trans-l-methoxy-3-(trimethylsilyloxy)- 1,3-butadiene (1) and benzaldehyde (2) is studied in the presence of the enantiomerically pure monomeric (5a, 5b) and polymeric (6a, 6b) catalysts. The monomeric and polymeric catalysts of identical chirality[1] invoke opposite enantioselectivities toward the formation of 2-phenyl- 2,3-dihydro-4H-pyrone (4). This remarkable result is corroborated by numerous control experiments. Thus, it is demonstrated that the environment of the active site of the catalyst is changed when the complex is fixed to a polymeric chain. In contrast to 5 and 6, the monomeric 12 and polymeric 13 europium(III) tris[3-heptafluorobutanoylcamphorates] of identical chirality invoke the same enantioselectivity toward the formation of 4. The concept of polymer attachment is utilized to recover the catalyst from the reaction mixture by precipitation and to recycle it for subsequent catalytic runs.
Hot-wire chemical vapor deposition of chalcogenide materials for phase change memory applications

A new simple method combining hot-wire CVD and pulsed liquid injection of metal-organic precursor solutions was developed for production of various chalcogenide films. The grown thin Ge2Sb2Te5 films exhibit electrically and optically induced reversible phase change behavior, showing the potential of deposition method for phase change memory applications.
Mathematical modeling and experimental characterization of polymer dissolution

A new polymer dissolution model was developed by incorporating the polymer chain disentanglement mechanism into the relevant transport equations. The disentanglement time was used as a dissolution characteristic time controlling the moving position of the solvent-polymer boundary. A dimensionless dissolution number was defined as the ratio of the characteristic polymer disentanglement time to the characteristic solvent diffusion time. The dissolution number was shown to be proportional to the square of the gel layer thickness. Scaling law expressions for the dependence of the gel layer thickness and the polymer dissolution rate on polymer molecular weight were also derived
Modeling and Molecular Dynamics of the 3D Structure of the HPV16 E7 Protein and Its Variants

The oncogenic potential of high-risk human papillomavirus (HPV) is predicated on the production of the E6 and E7 oncoproteins, which are responsible for disrupting the control of the cell cycle. Epidemiological studies have proposed that the presence of the N29S and H51N variants of the HPV16 E7 protein is significantly associated with cervical cancer. It has been suggested that changes in the amino acid sequence of E7 variants may affect the oncoprotein 3D structure; however, this remains uncertain. An analysis of the structural differences of the HPV16 E7 protein and its variants (N29S and H51N) was performed through homology modeling and structural refinement by molecular dynamics simulation. We propose, for the first time, a 3D structure of the E7 reference protein and two of Its variants (N29S and H51N), and conclude that the mutations induced by the variants in N29S and H51N have a significant influence on the 3D structure of the E7 protein of HPV16, which could be related to the oncogenic capacity of this protein.