gebhart/patrepeval huggingface dataset:
Many Simple Molecular Cavitands Are Intrinsically Porous (Zero-Dimensional Pore) Materials (2015)

The guest-free crystal forms of eight related small molecule cavitands (simplified nomenclature: R,R′,Y) are investigated as candidate discrete molecule microcavity materials (DMMMs). Due to their rigid bowl-like molecular structures, many cavitands are incapable of efficient crystal packing in pure form, yielding zero-dimensional porous apohost phases. By molecular modifications that eschew self-inclusion, emphasis is placed on engineering structures that exhibit uniform microcavities that are large enough to accommodate small molecules of interest (e.g., gases or volatile organic compounds). The most thermodynamically stable guest-free crystal forms of several cavitands—namely, H,H,CH2, H,Me,CH2, α-Me,H,CH2, Me,Me,CH2, Br,Me,CH2, Me,Et,CH2, Me,Et,SiMe2, and Me,i-Bu,CH2—appear to be as close packed as possible, yet they exhibit relatively large microcavities (or, zero-dimensional pores) in the range of 27–115 Å3. Where self-inclusion is ineffective, the microcavities predictably assimilate the intrinsic cavitand molecular cavity, yet the ultimate size and shape of cavities are also strongly influenced by crystal packing. It is demonstrated that some cavitand solvates, CH2Cl2@H,Me,CH2, xH2O@Me,Et,SiMe2, and CH2Cl2@Me,i-Bu,CH2 (84:16 rccc/rcct), maintain host crystal packings that are equivalent to their empty, intrinsically porous phases, and it is argued that the intrinsic pores of DMMMs are particularly suited to selective gas enclathration and/or storage. As a proof-of-concept demonstration, the porous phase of Me,Et,SiMe2 is shown to capture and temporarily hold Freon-41 (fluoromethane, bp = −78 °C) at room temperature. A single crystal of empty Me,Et,SiMe2 is shown to uptake CO2 gas at room temperature, allowing structure determination of xCO2@Me,Et,SiMe2, and single crystal-to-single crystal dehydration of xH2O@Me,Et,SiMe2 demonstrates its permeability to water.
A light-reflecting balloon catheter for atraumatic tissue defect repair (2015)

A congenital or iatrogenic tissue defect often requires closure by open surgery or metallic components that can erode tissue. Biodegradable, hydrophobic light-activated adhesives represent an attractive alternative to sutures, but lack a specifically designed minimally invasive delivery tool, which limits their clinical translation. We developed a multifunctional, catheter-based technology with no implantable rigid components that functions by unfolding an adhesive-loaded elastic patch and deploying a double-balloon design to stabilize and apply pressure to the patch against the tissue defect site. The device uses a fiber-optic system and reflective metallic coating to uniformly disperse ultraviolet light for adhesive activation. Using this device, we demonstrate closure on the distal side of a defect in porcine abdominal wall, stomach, and heart tissue ex vivo. The catheter was further evaluated as a potential tool for tissue closure in vivo in rat heart and abdomen and as a perventricular tool for closure of a challenging cardiac septal defect in a large animal (porcine) model. Patches attached to the heart and abdominal wall with the device showed similar inflammatory response as sutures, with 100% small animal survival, indicating safety. In the large animal model, a ventricular septal defect in a beating heart was reduced to <1.6 mm. This new therapeutic platform has utility in a range of clinical scenarios that warrant minimally invasive and atraumatic repair of hard-to-reach defects.
Development of a radioligand binding assay for 5‐HT<sub>4</sub> receptors in guinea‐pig and rat brain (1993)

1. The 5-HT4 receptor antagonist, GR113808, has been radiolabelled to a high specific activity with tritium. 2. Characterization of specific [3H]-GR113808 binding in homogenates of guinea-pig striatum and hippocampus revealed a single site of high affinity (Kd values 0.20 and 0.13 nM respectively). 3. [3H]-GR113808 binding was reversible and displayed rapid kinetics such that association and dissociation were complete within 3 min. 4. Specific [3H]-GR113808 binding was potently and stereoselectively inhibited by agonists and antagonists acting at the 5-HT4 receptor but not by compounds selective for other 5-HT receptors or other neurotransmitter receptors. 5. Autoradiographic analysis revealed a discrete localization in both guinea-pig and rat brain with high concentrations of binding in brain areas such as the striatum, substantia nigra and olfactory tubercle. 6. [3H]-GR113808 binding to homogenates of guinea-pig striatum meets the criteria for labelling of the 5-HT4 receptor and, as such, represents the first characterization of this receptor in a radioligand binding assay.
Morphology, Crystallization and Melting Behavior of Propylene-Ethylene Statistical Copolymers (2005)

In this work the morphology, crystallization and melting behavior of novel Dow Chemical propylene-ethylene copolymers were investigated. The incorporation of ethylene units into a polypropylene chain resulted in the decrease in crystallization, melting and glass transition temperatures and overall crystallinity. Based on the shape of heat capacity curves and the dependence of the melting temperature offset on ethylene content, it was concluded that copolymers prepared using different catalyst systems exhibited different ethylene sequence length distributions. The behavior of Dow Chemical propylene-ethylene copolymers was compared to that of copolymers prepared using traditional metallocene and Ziegler-Natta catalysts. The catalyst system used in the preparation of these new copolymers is similar to a metallocene catalyst system. It was demonstrated that ethylene defects are partially included in the polypropylene crystal. The thermodynamic heat of fusion at the equilibrium melting temperature decreased by 44% with an increase in ethylene concentration from 0 mol% to 21.2 mol%. On the basis of calorimetric and density data, the inclusion model based on the Sanchez-Eby crystallization theory was shown to be applicable for the evaluation of the degree of crystallinity. At the same time, inadequacies were found in application of the rigid amorphous fraction model to these copolymers. The formation of gamma-phase crystals was shown to be favored by both an increase in the ethylene content and a decrease in the crystallization rate. Increase in the ethylene content was shown to lead to a decrease in the density, length and thickness of alpha-phase crystals. It was also demonstrated that the cross-hatching morphology is present in all propylene-ethylene copolymers.
Neurodegeneration and Vision Loss after Mild Blunt Trauma in the C57Bl/6 and DBA/2J Mouse (2015)

Damage to the eye from blast exposure can occur as a result of the overpressure air-wave (primary injury), flying debris (secondary injury), blunt force trauma (tertiary injury), and/or chemical/thermal burns (quaternary injury). In this study, we investigated damage in the contralateral eye after a blast directed at the ipsilateral eye in the C57Bl/6J and DBA/2J mouse. Assessments of ocular health (gross pathology, electroretinogram recordings, optokinetic tracking, optical coherence tomography and histology) were performed at 3, 7, 14 and 28 days post-trauma. Olfactory epithelium and optic nerves were also examined. Anterior pathologies were more common in the DBA/2J than in the C57Bl/6 and could be prevented with non-medicated viscous eye drops. Visual acuity decreased over time in both strains, but was more rapid and severe in the DBA/2J. Retinal cell death was present in approximately 10% of the retina at 7 and 28 days post-blast in both strains. Approximately 60% of the cell death occurred in photoreceptors. Increased oxidative stress and microglial reactivity was detected in both strains, beginning at 3 days post-injury. However, there was no sign of injury to the olfactory epithelium or optic nerve in either strain. Although our model directs an overpressure air-wave at the left eye in a restrained and otherwise protected mouse, retinal damage was detected in the contralateral eye. The lack of damage to the olfactory epithelium and optic nerve, as well as the different timing of cell death as compared to the blast-exposed eye, suggests that the injuries were due to physical contact between the contralateral eye and the housing chamber of the blast device and not propagation of the blast wave through the head. Thus we describe a model of mild blunt eye trauma.
Differential Roles of Akt, Rac, and Ral in R-Ras-Mediated Cellular Transformation, Adhesion, and Survival (1999)

Multiple biological functions have been ascribed to the Ras-related G protein R-Ras. These include the ability to transform NIH 3T3 fibroblasts, the promotion of cell adhesion, and the regulation of apoptotic responses in hematopoietic cells. To investigate the signaling mechanisms responsible for these biological phenotypes, we compared three R-Ras effector loop mutants (S61, G63, and C66) for their relative biological and biochemical properties. While the S61 mutant retained the ability to cause transformation, both the G63 and the C66 mutants were defective in this biological activity. On the other hand, while both the S61 and the C66 mutants failed to promote cell adhesion and survival in 32D cells, the G63 mutant retained the ability to induce these biological activities. Thus, the ability of R-Ras to transform cells could be dissociated from its propensity to promote cell adhesion and survival. Although the transformation-competent S61 mutant bound preferentially to c-Raf, it only weakly stimulated the mitogen-activated protein kinase (MAPK) activity, and a dominant negative mutant of MEK did not significantly perturb R-Ras oncogenicity. Instead, a dominant negative mutant of phosphatidylinositol 3-kinase (PI3-K) drastically inhibited the oncogenic potential of R-Ras. Interestingly, the ability of the G63 mutant to induce cell adhesion and survival was closely associated with the PI3-K-dependent signaling cascades. To further delineate R-Ras downstream signaling events, we observed that while a dominant negative mutant of Akt/protein kinase inhibited the ability of R-Ras to promote cell survival, both dominant negative mutants of Rac and Ral suppressed cell adhesion stimulated by R-Ras. Thus, the biological actions of R-Ras are mediated by multiple effectors, with PI3-K-dependent signaling cascades being critical to its functions.
Characterization and safe handling of reactive initiator solutions (2006)

Abstract The thermal stability of initiators used in free radical polymerizations has been well documented. Initiators are often used in solutions, with relatively long feed periods to help control the heat of polymerization. In some cases, the stability of the initiator solutions is limited, especially at higher concentrations, and runaway reactions can potentially be severe. This article reviews the chemical reactivity of concentrated initiator solutions and considers PHA studies and feed tank design to help ensure safe handling and manufacture. © 2006 American Institute of Chemical Engineers Process Saf Prog, 2006
Uncertain behaviours of integrated circuits improve computational performance (2015)

Improvements to the performance of conventional computers have mainly been achieved through semiconductor scaling; however, scaling is reaching its limitations. Natural phenomena, such as quantum superposition and stochastic resonance, have been introduced into new computing paradigms to improve performance beyond these limitations. Here, we explain that the uncertain behaviours of devices due to semiconductor scaling can improve the performance of computers. We prototyped an integrated circuit by performing a ground-state search of the Ising model. The bit errors of memory cell devices holding the current state of search occur probabilistically by inserting fluctuations into dynamic device characteristics, which will be actualised in the future to the chip. As a result, we observed more improvements in solution accuracy than that without fluctuations. Although the uncertain behaviours of devices had been intended to be eliminated in conventional devices, we demonstrate that uncertain behaviours has become the key to improving computational performance.
Will the numbers add up for sub-7-nm magnetic spacings? Future metrology issues for disk drive lubricants, overcoats, and topographies (2005)

To achieve disk drive recording densities greater than one terabit per square inch, future head-media spacings (HMSs) will need to be less than 7 nm. This will place severe demands on the metrology tools used to measure the thickness and topographies of the contributors to the head-media spacing. Here, we first review some of the metrologies used for characterizing overcoats, lubricants, and topographies and discuss some of the limits that will make it difficult to achieve a sub-7-nm HMS. We next show new results for measuring lubricant redistribution on disk surfaces after contact with a small pad on the slider and present a new method for determining wear rates of these slider contact pads.
Performance Estimates of Photoneutralized Negative-Ion Beams (1984)

Recent studies have provided data that make it possible to estimate the efficiency and cost of future beamlines using a chemical oxygen-iodine laser as a neutralizes These studies indicate that a 400-keV neutral deuterium beam of more than 20 A will operate at an efficiency >60%, with the capital cost of the neutralizer at less than $2/W of neutral beam output. Beamlines of lower current and less energy will operate at poorer efficiencies and higher neutralizer costs per watt of neutral beam. These are estimates. As they are very sensitive to changes in the assumptions from which they were derived, they must be used with some caution. Additional studies are expected to provide more reliable estimates.
Treatment of inequality constraints in power system state estimation (1995)

A new formulation of the power system state estimation problem and a new solution technique are presented. The formulation allows for inequality constraints such as VAr limits on generators and transformer tap ratio limits. In addition, unmeasured loads can be modeled as unknown but bounded quantities. The solution technique is an interior point method that uses logarithmic barrier functions to treat the inequality constraints. The authors describe computational issues arising in the implementation of the algorithm. Numerical results are given for power systems ranging in size from six to 118 buses.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Short Oligonucleotides Aligned in Stretched Humid Matrix: Secondary DNA Structure in Poly(vinyl alcohol) Environment (2012)

We report that short, synthetic, double- as well as single-stranded DNA can be aligned in stretched humid poly(vinyl alcohol) (PVA) matrix, and the secondary structure (nucleobase orientation) can be characterized with linear dichroism (LD) spectroscopy. Oligonucleotides of lengths varying between 10 (3.4 nm) and 60 bases (20.4 nm) were investigated with respect to structural properties in the gel-like polymer environment. The DNA conformation as a function of relative humidity reveals a strong dependence of helical structure of DNA on PVA hydration level, results of relevance for nanotechnical studies of DNA-based supramolecular systems. Also, the PVA gel could provide possibilities to test models for nucleic acid interactions and distribution in cell contexts, including structural stability of genetic material in the cell and PVA-packaging for gene delivery. A method by which duplex oligonucleotides, with sequences designed to provide specific binding sites, become amenable to polarized-light spectroscopy opens up new possibilities for studying structure in DNA complexes with small adduct molecules as well as proteins.
Lipophilic Di‐ and Triamides as Ionophores for Alkaline Earth Metal Cations (1980)

Abstract Different electrically neutral lipophilic di‐ and triamides were prepared and their ion selectivity in membranes studied. In membranes the ionophore N , N′ ‐diheptyl‐ N , N′ ‐dimethyl‐succinamide prefers Ca 2+ over Mg 2+ by a factor of 20 but rejects Na + and K + in respect to Mg 2+ by a factor of 100 and 10, respectively. This selectivity suffices to perform useful intracellular Mg 2+ activity studies.
The Sensible Thing (1985)

On a damp afternoon in September of the following year a young man with his face burned to a deep copper glow~1 got off a train at a city in Tennessee He looked around anxiously, and seemed relieved when he found that there was no one in the station to meet him. He taxied to the best hotel in the city where he registered with some satisfaction as George O’Kelly, Cuzco, Peru. Up in his room he sat for a few minutes at the window looking down into the familiar street below.~2 Then with his hand trembling faintly he took off the
Vibration noise mechanisms in streamer arrays (2006)

Self noise in streamers could be improved significantly if careful attention is given to controlling vibration generation, transmission, and coupling mechanisms within the array. The traditional goal of streamer self noise is 2 μBar RMS. This corresponds to integration over frequency of the power spectral density output of an omni‐directional hydrophone suspended in an ocean noise environment at sea state zero and light shipping. If all vibration sources in a streamer array could be eliminated, it is theoretically possible to reduce streamer self noise at 3 knots down to 10 dB below sea state zero and light shipping ambients, thereby maximizing seismic survey profile ranges in quiet survey environments. The purpose of this study is to provide the equations controlling vibration wave speeds along the array, show data verifying the presence of these waves in the array sensor outputs, and suggest ways of mitigating these noise components.
SOURNESS–SWEETNESS INTERACTIONS IN DIFFERENT MEDIA: WHITE WINE, ETHANOL AND WATER* (2006)

ABSTRACT The aim of this work was to study the sourness–sweetness interactions in water, white wine and alcoholic environment to interpret sweet/sour perception in low concentrations within the range normally encountered in white wine. Nine trained assessors rated sweetness and sourness intensity in mixtures of fructose (11.1, 25.0 and 38.9 mM) and tartaric acid (pH 3.0, 3.4 and 3.8) in water and wine (experiment 1) or ethanol solutions at 2.0, 4.0 and 12.0% v/v (experiment 2). The range of quantitative responses was larger for sourness than for sweetness in the three media. The global sourness intensity perception in wine mixtures was significantly lower than in water and ethanol mixtures, indicating the effect of other wine components. The suppressive effect of tartaric acid on fructose sweetness was stronger than the suppressive effect of fructose on tartaric acid sourness.
Synthesis of analogs of the ergot alkaloids (2000)

Abstract A number of 3,4,5,6‐tetrahydro‐1 H ‐azepino[5,4,3‐ cd ]indole derivatives have been synthesized starting with methyl indole‐4‐carboxylate functionalized at the 3 position.
Shale Reservoir Evaluation Improved by Dual Energy X-Ray CT Imaging (2012)

Technology Update The rise of unconventional shale plays as an economically feasible oil and gas resource has created an unprecedented opportunity and challenge for laboratory core analysis providers. By some estimates, more than 80% of the core samples being extracted from North American fields are from shale formations. Core analysis has become an integral part of most unconventional exploration and development projects because the data is essential to petrophysical interpretation, reservoir modeling, and reserve estimation. A major difficulty facing operators is that shale core analysis conducted by traditional laboratories has been a slow process, with the data sometimes arriving too late for use in time-critical business decisions. Digital rock physics (DRP) analysis (Walls and Sinclair 2011) offers a faster way of obtaining the needed data for shale reservoir evaluation. DRP analysis of shales usually involves three stages, each providing visual and quantitative information to help select a smaller representative rock volume for the next analytical stage. Stage 1 analyzes whole cores or cuttings; Stage 2 analyzes samples from cuttings to plug size; and Stage 3 analyzes samples at pore scale in 3D with ultrahigh resolution. The process takes only a few weeks for most wells. In this report, we will examine the first stage of DRP for whole or slabbed core, using the CoreHD technique developed by Ingrain. The method is based on dual energy X-ray computerized tomography (CT) imaging and usually requires only a few days to complete. The technique has also been used at remote drillsites, with the core being analyzed within minutes or hours of being brought to the surface. Dual Energy X-Ray CT Imaging As X-ray CT imaging technology improves, so has the value of the data for the oil and gas industry. Beginning in the 1980s, petroleum literature on CT imaging such as “X-ray Computerized Tomography” by S.L. Wellington and H.J. Vinegar (JPT, August 1987) can be found. In the past 2 years, Ingrain has developed and refined a comprehensive workflow to analyze shale core by harnessing the value of dual energy X-ray CT imaging. From X-rays produced at different energy levels, continuous whole core scans can be calibrated to produce bulk density (RHOB) and photo electric factor (PEF) values at about half-millimeter resolution. At this resolution, 1 ft of core scanning produces around 500 CT images. The images show important geological details including fractures, bedding planes, fossils, and bioturbation. The high-resolution computed RHOB and PEF values can be used to interpret porosity, organic content, and mineralogy. When combined with other commonly available information such as core spectral gamma data, more complex analyses can be performed. For example, elastic properties and brittleness index can be determined.
NE-10 Neuroendocrine Cancer Promotes the LNCaP Xenograft Growth in Castrated Mice (2004)

Abstract Increases in neuroendocrine (NE) cells and their secretory products are closely correlated with tumor progression and androgen-independent prostate cancer. However, the mechanisms by which NE cells influence prostate cancer growth and progression, especially after androgen ablation therapy, are poorly understood. To investigate the role of NE cells on prostate cancer growth, LNCaP xenograft tumors were implanted into nude mice. After the LNCaP tumors were established, the NE mouse prostate allograft (NE-10) was implanted on the opposite flank of these nude mice to test whether NE tumor-derived systemic factors can influence LNCaP growth. Mice bearing LNCaP tumors with or without NE allografts were castrated 2 weeks after NE tumor inoculation, and changes in LNCaP tumor growth rate and gene expression were investigated. After castration, LNCaP tumor growth decreased in mice bearing LNCaP tumors alone, and this was accompanied by a loss of nuclear androgen receptor (AR) localization. In contrast, in castrated mice bearing both LNCaP and NE-10 tumors, LNCaP tumors continued to grow, had increased levels of nuclear AR, and secreted prostate-specific antigen. Therefore, in the absence of testicular androgens, NE secretions were sufficient to maintain LNCaP cell growth and androgen-regulated gene expression in vivo. Furthermore, in vitro experiments showed that NE secretions combined with low levels of androgens activated the AR, an effect that was blocked by the antiandrogen bicalutamide. Because an increase in AR level has been reported to be sufficient to account for hormone refractory prostate cancers, the NE cell population ability to increase AR level/activity can be another mechanism that allows prostate cancer to escape androgen ablation therapy.