gebhart/patrepeval huggingface dataset:
Photocontrolled Release and Uptake of a Porphyrin Guest by Dithienylethene‐Tethered β‐Cyclodextrin Host Dimers (2004)

Two photoswitchable dithienylethene-tethered beta-cyclodextrin dimers were synthesized to function as host molecules with an externally controllable binding affinity. The cyclodextrin cavities of these dimers are linked through their secondary sides by a photochromic dithienylethene unit that is connected to the secondary rim either directly (4) or through propyl spacers (9). Irradiation with light switches these dimers between a relatively flexible (open) and a rigid (closed) form. The binding properties of the dimers depend on the configuration of the dithienylethene spacer, as is shown by microcalorimetry performed with tetrakis-sulfonatophenyl porphyrin (TSPP) as a guest molecule. The differences in binding properties are most pronounced for the more rigid dimer 4, which binds TSPP 35 times more strongly in the open form (4 a) than in the closed form (4 b). The values found for the enthalpy of binding (deltaH degrees ) indicate that this difference in binding is due to the loss of cooperativity between the two beta-cyclodextrin cavities in the closed form. Molecular modeling shows that 4 b is not able to bind TSPP effectively in both cyclodextrin cavities. The open and closed forms of the more flexible dimer 9 show no substantial difference in their binding of TSPP. Thermodynamic values indicative of strong binding of TSPP by two beta-cyclodextrin cavities were measured for both forms of the dimer, and molecular modeling confirms that both are flexible enough to tightly bind TSPP. The binding differences between the forms of dimer 4 allow the photocontrolled release and uptake of TSPP, which renders control of the ratio of complexed to free TSPP in solution possible.
Frações da parede celular e digestibilidade in vitro da matéria seca de três genótipos de girassol ensilados com aditivos (2006)

Ensilaram-se três genótipos de girassol (M734, Rumbosol 91 e variedade V2000), enriquecidos no material original com: 0,5% de uréia (U); 0,5% de carbonato de cálcio (CC); 0,5% de uréia mais 0,5% de carbonato de cálcio (U+CC); inoculante bacteriano comercial (IB) comercial e sem aditivo que serviu como silagem testemunha (T). Foram utilizados silos de laboratório de PVC, abertos com 1, 3, 5, 7, 14, 28 e 56 dias de ensilados, sendo determinados fibra em detergente neutro (FDN), fibra em detergente ácido (FDA), lignina e digestibilidade in vitro da matéria seca (DIVMS). As silagens de Rumbosol 91 apresentaram valores superiores aos dos genótipos V2000 e M734 nos dias de abertura para FDN, FDA e lignina. Os aditivos não promoveram alterações nos constituintes da parede celular. A silagem T não apresentou diferenças entre os genótipos quanto à DIVMS no decorrer do processo fermentativo, sendo os valores do último dia de abertura (56) de 51,0%, 49,1% e 48,9% de DIVMS para os genótipos M734, V2000 e Rumbosol 91, respectivamente. Não houve diferença entre as silagens com aditivos e a silagem testemunha com a evolução do processo fermentativo quanto à DIVMS. Os aditivos utilizados não melhoraram as silagens de girassol quanto às características avaliadas e, apesar de os genótipos apresentarem digestibilidade in vitro semelhantes, o Rumbosol 91 apresentou maiores teores de constituintes da parede celular.
Long‐lived polymer radicals. VI. Polymerization of <i>N</i>‐methylmethacrylamide with formation of living propagation radicals (1984)

Abstract The polymerization of N ‐methylmethacrylamide (NMMAm) with azobisisobutyronitrile (AIBN) was investigated kinetically in benzene. This polymerization proceeded heterogeously with formation of the very stable poly(NMMAm) radicals. The overall activation energy of this polymerization was calculated to be 23 kcal/mol. The polymerization rate ( R p ) was expressed by: R p = k [AIBN] 0.63‐0.68 [NMMAm] 1−2.5 . Dependence of R p on the monomer concentration increased with increasing NMMAm concentration. From an ESR study, cyanopropyl radicals escaping the solvent cage were found to be converted to the living propagating radicals of NMMAm in very high yields (ca. 90%). Formation mechanism of the living polymer radicals was discussed on the basis of kinetic, ESR spectroscopic, and electron microscopic results.
The fast discrete Radon transform. I. Theory (1993)

An inversion scheme for reconstruction of images from projections based on the slope-intercept form of the discrete Radon transform is presented. A seminal algorithm for the forward and the inverse transforms proposed by G. Beylkin (1987) demonstrated poor dispersion characteristics for steep slopes and could not invert transforms based on nonlinear slope variations. By formulating the computation of a discrete computation of the continuous Radon transform formula, the authors explicitly derive fast generalized inversion methods that overcome the original shortcomings. The generalized forward (FRT) and inverse (IFRT) algorithms proposed are fast, eliminate interpolation calculations, and convert directly between a raster scan grid and a rectangular/polar grid in one step.
Social impairments in Rett syndrome: characteristics and relationship with clinical severity (2011)

Our data suggest that in RTT, autistic behaviour persists after the period of regression. It also demonstrated that neurological and behavioural impairments, including autistic features, are relatively independent of one another. Consistent with previous reports of the RTT phenotype, individual MECP2 mutations demonstrate complex associations with autistic features. Evidence of persistent autistic behaviour throughout childhood, and of a link between hand function and social skills, has important implications not only for research on the RTT behavioural phenotype, but also for the clinical management of the disorder.
A peer-to-peer architecture for distributed and reliable RDF storage (2009)

Knowledge management systems share information from multiple sources over the network and may have problems in maintaining the consistency due to node failures and data fragmentation in different locations. In this paper we present an architecture for a load balanced and reliable RDF storage system for semantic information distributed over a peer-to-peer network. Peers are self organized in a ring topology, based on a distributed hash table (DHT), where each node is assigned a segment of the key space that can dynamically change in order to maintain a uniform distribution of the data among the participating peers. Data redundancy is then used to replicate each RDF triple in multiple locations so that, in case of peer failures, neighbour nodes can act on their behalf and return consistent results. Additionally, each node provides an entry point able to resolve atomic, disjunctive and conjunctive SPARQL queries on the network semantic knowledge. The performance of this approach is evaluated by monitoring the effectiveness of the load balancing and redundancy algorithm and the overhead introduced on the network load in both a static (only join events) and dynamic scenario.
3D MnO2–graphene composites with large areal capacitance for high-performance asymmetric supercapacitors (2013)

In this paper, we reported an effective and simple strategy to prepare large areal mass loading of MnO2 on porous graphene gel/Ni foam (denoted as MnO2/G-gel/NF) for supercapacitors (SCs). The MnO2/G-gel/NF (MnO2 mass: 13.6 mg cm(-2)) delivered a large areal capacitance of 3.18 F cm(-2) (234.2 F g(-1)) and good rate capability. The prominent electrochemical properties of MnO2/G-gel/NF are attributed to the enhanced conductivities and improved accessible area for ions in electrolytes. Moreover, an asymmetric supercapacitor (ASC) based on MnO2/G-gel/NF (MnO2 mass: 6.1 mg cm(-2)) as the positive electrode and G-gel/NF as the negative electrode achieved a remarkable energy density of 0.72 mW h cm(-3). Additionally, the fabricated ASC device also exhibited excellent cycling stability, with less than 1.5% decay after 10,000 cycles. The ability to effectively develop SC electrodes with high mass loading should open up new opportunities for SCs with high areal capacitance and high energy density.
Rumen metagenome and metatranscriptome analyses of low methane yield sheep reveals a Sharpea-enriched microbiome characterised by lactic acid formation and utilisation (2016)

Our findings show that the rumen microbiome in LMY animals supports a rapid heterofermentative growth, leading to lactate production. We postulate that lactate is subsequently metabolised mainly to butyrate in LMY animals, producing 2 mol of hydrogen and 0.5 mol of methane per mol hexose, which represents 24 % less than the 0.66 mol of methane formed from the 2.66 mol of hydrogen produced if hexose fermentation was directly to acetate and butyrate. These findings are consistent with the theory that a smaller rumen size with a higher turnover rate, where rapid heterofermentative growth would be an advantage, results in lower hydrogen production and lower methane formation. Together with previous methanogen gene expression data, this builds a strong concept of how animal traits and microbial communities shape the methane phenotype in sheep.
Acoustic data transmission to collaborating smartphones &#x2014; An experimental study (2014)

The acoustic capabilities (i.e. microphone) and the fast processors of modern smartphones allow for the transmission of data to groups of such devices through the audio channel. We discuss an acoustic data transmission system for broadcast communication to a multitude of smartphones without the need of a radio access point. Acoustic data transmission is particularly attractive in scenarios that involve sound systems (e.g., movie theaters or open-air film festivals). We discuss different techniques to hide data in sound tracks and how to form a microphone array from a collection of smartphones in the same location. Collaborating smartphones share (using their radio interfaces to form an ad hoc network) the received data streams to jointly correct errors. With a testbed of up to four smartphones, we demonstrate how the robustness and reliability of a downlink broadcast via an acoustic communication system can be improved by collaboration between spatially distributed devices. With field tests in different scenarios, we investigate the potential gain of the collaboration in a real environment.
Annular-cathode electron gun for in-line injection in a racetrack microtron (1976)

A compact annular-cathode electron gun which allows direct, efficient injection into the accelerating structure of a racetrack microtron has been designed, built, and tested. The gun operates under pulsed conditions with applied high voltages of 40 kV or more and delivers an output current in excess of 1 A. Design and construction details are presented for both a basic gun and a gun with built-in output current monitor. Gun performance in a test chamber and in the multicavity racetrack microtron at the University of Western Ontario is described.
Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations (2015)

Chemokine receptor 5 (CCR5) belongs to G protein coupled receptors (GPCRs) and plays an important role in treatment of human immunodeficiency virus (HIV) infection since HIV uses CCR5 protein as a co-receptor. Recently, the crystal structure of CCR5-bound complex with an approved anti-retroviral drug (maroviroc) was resolved. During the crystallization procedure, amino acid residues (i.e., Cys224, Arg225, Asn226 and Glu227) at the third intra-cellular loop were replaced by the rubredoxin for stability reasons. In the current study, we aimed to understand the impact of the incorporated rubredoxin on the conformations of TM domains of the target protein. For this reason, rubredoxin was deleted from the crystal structure and the missing amino acids were engineered. The resultant structure was subjected to long (μs) molecular dynamics (MD) simulations to shed light into the inhibitory mechanism. The derived model structure displayed a significant deviation in the cytoplasmic domain of TM5 and IC3 in the absence of rubredoxin. The principal component analyses (PCA) and MD trajectory analyses revealed important structural and dynamical differences at apo and holo forms of the CCR5.
Context-Aware Retrieval for Ubiquitous Computing Environments (2004)

Abstract. Mobile and ubiquitous computing environments provide a challenging and exciting new domain for information retrieval. One of the challenges is to provide relevant and reliable information to users of-ten engaged in other activities or to agents acting on behalf of the user. We believe that identification of relevant information can be achieved by integration of existing methods from information retrieval and context-aware technologies. Making use of this retrieved information may be fa-cilitated by contributions from human-computer interaction studies and agent technology to determine how and when to deliver the information to the user or how best to act on the user’s behalf. 1
Synthesis of si nanoparticles from freestanding porous silicon (ps) film using ultrasonication (2010)

Porous Silicon (PS) is one of the established materials and can be used in variety of applications in its different forms. Use of monolayer PS film for synthesis of Si QDs is reported here. Nanometer-sized silicon particles are produced by ultrasonic dispersion of thin films in DI water. PS films are characterized using cross sectional scanning electron microscopy and gravimetric analysis while the Si nanopowder is characterized by Raman spectroscopy, Photoluminescence (PL), UV-visible spectroscopy (UV-vis) and FTIR spectroscopy. Sonication for hours causes breaking and oxidation in the film. This reflects as frequency downshift in Raman spectroscopy. Raman peak are resolved into two peaks to study shell type structure of Si nanopowder synthesized. PL exhibits overall red peak shift. Decreasing Tauc bandgap and sharp absorption edge in UV-vis spectra confirms the presence of oxygenated Si nanoparticles in the material tested, confirmed by FTIR. Analysis of all spectra is explained in terms of shell structured Si nanoparticles with Quantum Confinement Luminescent Centre (QCLC) model.
FNR Is a Global Regulator of Virulence and Anaerobic Metabolism in<i>Salmonella enterica</i>Serovar Typhimurium (ATCC 14028s) (2007)

Salmonella enterica serovar Typhimurium must successfully transition the broad fluctuations in oxygen concentrations encountered in the host. In Escherichia coli, FNR is one of the main regulatory proteins involved in O2 sensing. To assess the role of FNR in serovar Typhimurium, we constructed an isogenic fnr mutant in the virulent wild-type strain (ATCC 14028s) and compared their transcriptional profiles and pathogenicities in mice. Here, we report that, under anaerobic conditions, 311 genes (6.80% of the genome) are regulated directly or indirectly by FNR; of these, 87 genes (28%) are poorly characterized. Regulation by FNR in serovar Typhimurium is similar to, but distinct from, that in E. coli. Thus, genes/operons involved in aerobic metabolism, NO. detoxification, flagellar biosynthesis, motility, chemotaxis, and anaerobic carbon utilization are regulated by FNR in a fashion similar to that in E. coli. However, genes/operons existing in E. coli but regulated by FNR only in serovar Typhimurium include those coding for ethanolamine utilization, a universal stress protein, a ferritin-like protein, and a phosphotransacetylase. Interestingly, Salmonella-specific genes/operons regulated by FNR include numerous virulence genes within Salmonella pathogenicity island 1 (SPI-1), newly identified flagellar genes (mcpAC, cheV), and the virulence operon (srfABC). Furthermore, the role of FNR as a positive regulator of motility, flagellar biosynthesis, and pathogenesis was confirmed by showing that the mutant is nonmotile, lacks flagella, is attenuated in mice, and does not survive inside macrophages. The inability of the mutant to survive inside macrophages is likely due to its sensitivity to the reactive oxygen species generated by NADPH phagocyte oxidase.
Vasodilator treatment with isosorbide dinitrate and hydralazine in chronic heart failure. (1981)

Several reports have suggested that because isosorbide dinitrate and hydralazine have different and additive haemodynamic effects at rest in patients with chronic heart failure, these agents should be administered in combination. Some studies, however, indicate thay they are effective individually as well. Since most patients with heart failure are symptomatic only with activity, we examined the haemodynamic effects of these drugs given individually and in combination, at rest and during upright bicycle exercise. As has been noted previously, at rest isosorbide significantly lowered both ventricular filling pressures and did not change cardiac output; hydralazine increased cardiac output and had only a slight effect on pulmonary capillary wedge pressure; combined treatment produced both beneficial effects. In contrast, during exercise isosorbide dinitrate also raised cardiac output while hydralazine more dramatically lowered the wedge pressure. Combined treatment produced significantly greater improvement in each haemodynamic index than either drug alone, with a resulting 54 per cent increase in exercise cardiac output, and a 33 per cent reduction in exercise wedge pressure. Maximal oxygen consumption increased acutely during combined treatment. These findings suggest that isosorbide dinitrate and hydralazine may each be effective in some patients, but that they are even more beneficial in combination.
Frequency lowering processing for listeners with significant hearing loss (2003)

Many listeners with medium-severe hearing loss present audiograms with high frequency loss descending profiles. These patients can resolve spectral cues normally for lower frequency signals but they often show less ability to use high frequency information. We have presented in this paper a new processing algorithm based on a sinusoidal speech model which results is lowered and sharpened speech. Preliminary results of the processed speech material in two impaired listeners suggests that this algorithm could be implemented in digital hearing aids to be used in patients with severe and moderate-severe hearing loss.
The Measurement of Two-Dimensional Fields. Part II: Study of a Quadrupole Magnet (1954)

The characteristics of a dc quadrupole magnet have been measured using some of the techniques for measuring two-dimensional fields and gradients proposed by W. C. Elmore and M. W. Garrett in the preceding paper. Saturation curves and measurements of the flux distribution in the magnet are presented. The characteristics of the magnet have been determined both in the interior and in the fringing region at each end. It is shown that by using a pole tip of circular cross section and correctly chosen radius it is possible to produce a magnetic field with gradient constant to ±1 percent out to 0.8 of the radius of the gap.
Size Ratio Effects on Interparticle Interactions and Phase Behavior of Microsphere−Nanoparticle Mixtures (2008)

We investigate the interparticle interactions and phase behavior of microsphere−nanoparticle mixtures of high charge asymmetry and varying size ratio. In the absence of nanoparticles, negligibly charged microspheres flocculate as a result of van der Waals interactions. Upon addition of a lower critical nanoparticle volume fraction, the microspheres are stabilized by the formation of nanoparticle halos around each microsphere.(1, 2) A weak attraction between the two species leads to a pronounced enhancement of the effective nanoparticle concentration near the microsphere surface relative to the bulk solution. Above an upper critical nanoparticle volume fraction, the microspheres undergo reentrant gelation. Binary mixtures, in which the effective nanoparticle size is reduced at a fixed microsphere diameter, exhibit a narrow window of stability that ultimately disappears with increasing ionic strength. By contrast, binary mixtures of varying microsphere diameter are stabilized at similar nanoparticle volume fractions and exhibit a broader window of stability with decreasing size ratio. This unexpected observation may arise from the reduced attraction between smaller microspheres because negligible differences in nanoparticle halo formation are observed in these mixtures.
Overhang constraint in topology optimisation for additive manufacturing: a density gradient based approach (2016)

This research aims at improving the synergy between 3D printing and topology optimisation. 3D printing, more formally known as additive manufacturing, forms an object by constructing successive layers on top of each other. This procedure of manufacturing offers new possibilities due to the improved design freedom. Topology optimisation is a mathematical design tool that finds the optimal material distribution for a specified problem. Usually the generated optimal designs have a complex shape which are difficult to produce with traditional manufacturing techniques, and post-processing of the design is necessary in order to obtain a manufacturable design. Additive manufacturing makes most of this post-processing redundant due to its unprecedented manufacture abilities. However, despite the greatly improved design freedom, certain geometric restrictions are encountered in popular additive manufacturing techniques like selective laser melting (SLM). Among others, designs need to be self-supporting or overhang-free in order to guarantee a successful production. The best way to deal with this is to incorporate an overhang restriction directly into the topology optimisation, such that optimal designs are generated that also comply with this manufacturing constraint. An overhang constraint is formulated based on the gradient of the density field. The gradient of the density field is used because it is particularly suitable for incorporating the part orientation in the build chamber of the SLM machine into the optimisation. Besides this, it allows for an arbitrary critical angle and is easily extended to 3D. This constraint is implemented in an existing topology optimisation algorithm and tested on numerical examples. Various implementations are tested and compared. Furthermore, a novel method is devised to efficiently include the build orientation into the optimisation. By numerical examples it is shown that this method results in optimal structures and corresponding build directions that are free of overhang.
Purification of Citrus Peel Juice and Molasses (1999)

Citrus peel juice and molasses are extremely bitter and unpalatable byproducts of orange and grapefruit juice production. Major components of interest are soluble sugars, glucose, fructose, and sucrose, which account for 60-70% of the dry solids. Analyses indicate that the remaining components are suspended tissue fragments, proteins, organic acids, mineral ions, phenolic compounds, and polyols. A purification sequence that removed a majority of bitter limonoids and phenolic compounds by adsorption on nonionic, macroporous resins was tested. Residual phenolic compounds were removed by adsorption on activated carbon or anion-exchange resin, which also removed anions of organic and inorganic acids. Taste panel results suggested that debittered products could be acceptable for food uses.