gebhart/patrepeval huggingface dataset:
Lewis-base adducts of Group 11 metal(I) compounds. 49. Structural characterization of hexameric and pentameric (triphenylphosphine)copper(I) hydrides (1989)

Red and orange 1: 1 adducts of copper(1) hydride with triphenylphosphine have been isolated from tetrahydrofuran as hexameric and pentameric cluster species that have been characterized crystallographically. The red hexameric species [ (PPh3)CuH],.0.5thf crystallizes in the monoclinic space group P2, with a = 14.464 (IO) A, b = 16.252 (9) A, c = 21.487 ( 5 ) A, 0 = 91.38 (3)O, Z = 2, and R = 0.052 for 5932 observed (I 1 30(1)) reflections. Cu-P distances are 2.200 (3)-2.246 (3) A. Hydrogen atoms have been located by refinement at the centers of six triangular faces equatorial about a quasi-6 axis of the octahedral copper skelton. A crystalline "hydrolysis" product of this compound, tentatively formulated as [(PPh,),CU&amp;O]*thf, has also been structurally characterized, crystallizing in the orthorhombic space group Pbca with a = 40.19 (2) A, b = 22.78 (2) A, c = 21.72 (2) A, Z = 8, and R = 0.071 for 5041 observed reflections in a lattice isomorphous with the previously recorded [(PPh3)CuHI6.dmf compound. An orange pentameric species, formulated as [(PPh,)CuH],.thf, crystallizes in the monoclinic space group P21/c with a = 12.827 (6) A, b = 12.952 (8) A, c = 54.226 (14) A, @ = 95.96 (4)", Z = 4, and R = 0.095 for 2393 observed reflections. The copper atoms are disposed in a distorted-trigonal-bipyramidal array with Cu,,-.Cu, distances ranging between 2.431 (7) and 2.582 (7) 8, and Cu,--Cu, distances between 2.493 (8) and 2.608 (7) A. The Cu-P distances range between 2.16 (1) and 2.21 ( I ) A. Hydride positions were not found
Takagi–Sugeno–Kang type probabilistic fuzzy neural network control for grid‐connected LiFePO 4 battery storage system (2013)

A Takagi–Sugeno–Kang type probabilistic fuzzy neural network (TSKPFNN) control is proposed to control a grid‐connected LiFePO 4 battery storage system in this study. First, the modelling of the battery and bidirectional AC–DC converter are described in detail. Then, the active and reactive power controls using phase‐lock loop are briefly introduced. Moreover, to improve the control performance of the grid‐connected LiFePO 4 battery storage system, the TSKPFNN control, which combines the advantages of Takagi–Sugeno–Kang type fuzzy logic system and three‐dimensional membership function, is developed. The network structure, online learning algorithm using delta adaptation law and convergence analysis of the TSKPFNN are described in detail. Furthermore, a 32‐bit fixed‐point digital signal processor, TMS320F28035, is adopted for the implementation of the proposed intelligent controlled battery storage system. Finally, some experimental results are illustrated to show the validity of the proposed TSKPFNN control for the grid‐connected LiFePO 4 battery storage system.
Nanopatterning and selective area epitaxy of GaN on Si substrate (2008)

Due to lack of suitable lattice matched substrates, III-Nitride materials are usually grown on sapphire, SiC, and silicon. The heteroepitaxy of GaN on these substrates often incorporates a high density of dislocation and point defects due to lattice and thermal mismatch. It is desirable to reduce the defect density in III-Nitrides in order to fabricate longer lifetime and high brightness light emitting diodes, lasers, and high-electron mobility transistors. In this context, nano-scale epitaxy on patterned Si substrates allows lateral growth, which eventually leads to a reduction of defect density and strain in the overgrown GaN films. Large area nano-patterning with dielectric masks would also be useful to fabricate highly-ordered and dense nitride nanostructures by selective area homo- and hetero-epitaxy.
Beta Frequency Oscillations in the Subthalamic Nucleus Are Not Sufficient for the Development of Symptoms of Parkinsonian Bradykinesia/Akinesia in Rats (2019)

Substantial correlative evidence links the synchronized, oscillatory patterns of neural activity that emerge in Parkinson's disease (PD) in the beta (β) frequency range (13-30 Hz) with bradykinesia in PD. However, conflicting evidence exists, and whether these changes in neural activity are causal of motor symptoms in PD remains unclear. We tested the hypothesis that the synchronized β oscillations that emerge in PD are causal of symptoms of bradykinesia/akinesia. We designed patterns of stimulation that mimicked the temporal characteristics of single unit β bursting activity seen in PD animals and humans. We applied these β-patterned stimulation patterns along with continuous low-frequency and high-frequency controls to the subthalamic nucleus (STN) of intact and 6-OHDA-lesioned female Long-Evans and Sprague-Dawley rats. β-Patterned paradigms were superior to low-frequency controls at induction of β power in downstream substantia nigra reticulata (SNr) neurons and in ipsilateral motor cortex. However, we did not detect deleterious effects on motor performance across a wide battery of validated behavioral tasks. Our results suggest that β frequency oscillations (BFOs) may not be sufficient for the generation of bradykinesia/akinesia in PD.
Long QT, alteration of calcium-phosphate product, prevalence of ventricular arrhythmias and sudden death in peritoneal dialysis patients: a Holter study (2011)

We studied 79 patients on peritoneal dialysis. Each underwent 24-h electrocardiography (Holter monitoring) and measurement of the rate-corrected QT interval (QTc). We analyzed the correlation between QTc and plasma levels of Ca++, PO4−, K+, Na+, Mg++, and parathyroid hormone (PTH). The mean QTc was 0.445 ± 0.04 s. In 55 patients, the QTc was prolonged (> 0.45 s). Mean laboratory values for the group were: PTH 344 ± 25 pg/mL, Ca++ 9.27 ± 0.11 mg/dL, PO4− 5.5 ± 1.5 mg/dL, Na+ 139.6 ± 3.4 mmol/L, K+ 4.04 ± 0.64 mmol/L, and Mg++ 2.52 ± 0.43 mg/dL. Holter monitoring revealed complex premature ventricular contractions in 44 patients, monomorphic premature ventricular contractions in 16, and nonsustained ventricular tachycardia (NSVT) in 10. The QTc was significantly correlated with plasma levels of PO4− (r = 0.045, p < 0.05), PTH (r = 0.077, p < 0.02), and Ca++ (r = 0.076, p < 0.02). Eleven patients had Lown class 4a or 4b ventricular arrhythmias, and their mean QTc was 465 ± 0.02 ms. Ten had NSVT and their QTc was 464 ± 0.03 ms. Eleven patients died suddenly (mean QTc 465 ± 0.03 ms); all 11 had either NSTV or Lown class 4 ventricular arrhythmias. Long QTc seems to be associated with an increased prevalence of ventricular arrhythmias that may be the cause of sudden cardiac death.
Superior Plasmonic Photodetectors Based on Au@MoS2 Core–Shell Heterostructures (2017)

Integrating plasmonic materials into semiconductor media provides a promising approach for applications such as photosensing and solar energy conversion. The resulting structures introduce enhanced light-matter interactions, additional charge trap states, and efficient charge-transfer pathways for light-harvesting devices, especially when an intimate interface is built between the plasmonic nanostructure and semiconductor. Herein, we report the development of plasmonic photodetectors using Au@MoS<sub>2</sub> heterostructures-an Au nanoparticle core that is encapsulated by a CVD-grown multilayer MoS<sub>2</sub> shell, which perfectly realizes the intimate and direct interfacing of Au and MoS<sub>2</sub>. We explored their favorable applications in different types of photosensing devices. The first involves the development of a large-area interdigitated field-effect phototransistor, which shows a photoresponsivity ∼10 times higher than that of planar MoS<sub>2</sub> transistors. The other type of device geometry is a Si-supported Au@MoS<sub>2</sub> heterojunction gateless photodiode. We demonstrated its superior photoresponse and recovery ability, with a photoresponsivity as high as 22.3 A/W, which is beyond the most distinguished values of previously reported similar gateless photodetectors. The improvement of photosensing performance can be a combined result of multiple factors, including enhanced light absorption, creation of more trap states, and, possibly, the formation of interfacial charge-transfer transition, benefiting from the intimate connection of Au and MoS<sub>2</sub>.
Hydrogen bonding effects on the skeletal optical and the longitudinal acoustical modes in long chain molecules and polymers (1979)

Abstract Raman spectra of stearyl alcohol ( n ‐C 18 H 37 OH) indicate that vibrational bands in both the skeletal optical (1000‐1200 cm −1 ) and longitudinal acoustical (0–500 cm −1 ) regions are considerably perturbed by intermolecular hydrogen bonding. The zone interior skeletal stretching mode reflecting phonon dispersion in the v 4 branch of the infinite polyethylene chain is found at 1105 cm −1 , approximately 20 cm −1 higher than in the corresponding n ‐alkane. Similarly the single nodal longitudinal acoustical mode (LAM‐1) is found shifted by 12 cm −1 to higher frequency when the expected “mass effect” produced by the OH group is considered. This shift is further increased to 16 cm −1 at −100°C indicating a further perturbation on this accordion mode due to the increased strength of the hydrogen bond at the low temperatures. The positions of the higher multinodal vibrations, LAM‐3 and LAM‐5, are also perturbed by the hydrogen bond but by differing amounts. The observation of a low‐frequency Raman‐active LAM in polytetrahydrofuran [(CH 2 CH 2 CH 2 CH 2 O) n ] is discussed in conjunction with the expected effects of hydrogen bonding at the lamellar surface.
Different Ways to Plasma‐Polymerize HMDSO in DBD Configuration at Atmospheric Pressure for Corrosion Protection (2008)

Abstract Organosilicon layers were deposited on galvanized steel to give a protective coating against corrosion. HMDSO was atomized and injected into a DBD plasma at atmospheric pressure. Plasma‐polymerized HMDSO layers were different when HMDSO nanodroplets reacted directly in the plasma area or when such droplets reacted with the plasma once deposited on the surface. Addition of a plasma curing step was also studied. Influence of the deposition method on the properties of ppHMDSO layers was also studied. Layer structure was measured by SEM and interferometry, and its chemical structure was analyzed by FTIR and XPS. Corrosion resistance, which was measured by electrochemistry, was significantly increased when a plasma curing step was performed. magnified image
Does fluoride gel/foam application time affect enamel demineralization? (2014)

The American Dental Association Council on Scientific Affairs recommends a four-minute application of professionally applied topical fluoride, based on clinical evidence for caries reduction. However, some product manufacturers imply that a one-minute application is sufficient. The purpose of this laboratory study was to ascertain if a one-minute application of acidulated phosphate fluoride (APF) is equivalent to a four-minute application for reduction of enamel demineralization. We measured baseline hardness of polished bovine enamel before treatment with APF gel or foam for one or four minutes (N = 10). A control group received no fluoride treatment. The teeth were then immersed in pooled human saliva for 30 minutes, rinsed, and subjected to lactic acid gel to simulate the initial stage of dental caries. After three hours, the hardness was measured and the difference in hardness was determined as an indication of demineralization. We found that enamel hardness was significantly reduced after exposure to lactic acid gel. The reduction was significantly less in all APF-treatment groups compared to the control. However, there was no significant difference between a tooth exposed to APF gel or foam for 1 minute or for 4 minutes (ANOVA/Student-Newman-Keuls, significance level 0.05). In conclusion, APF gel and foam reduced enamel demineralization regardless of a one- or four-minute application time.
Motion Browser: Visualizing and Understanding Complex Upper Limb Movement Under Obstetrical Brachial Plexus Injuries (2019)

The brachial plexus is a complex network of peripheral nerves that enables sensing from and control of the movements of the arms and hand. Nowadays, the coordination between the muscles to generate simple movements is still not well understood, hindering the knowledge of how to best treat patients with this type of peripheral nerve injury. To acquire enough information for medical data analysis, physicians conduct motion analysis assessments with patients to produce a rich dataset of electromyographic signals from multiple muscles recorded with joint movements during real-world tasks. However, tools for the analysis and visualization of the data in a succinct and interpretable manner are currently not available. Without the ability to integrate, compare, and compute multiple data sources in one platform, physicians can only compute simple statistical values to describe patient's behavior vaguely, which limits the possibility to answer clinical questions and generate hypotheses for research. To address this challenge, we have developed MOTION BROWSER, an interactive visual analytics system which provides an efficient framework to extract and compare muscle activity patterns from the patient's limbs and coordinated views to help users analyze muscle signals, motion data, and video information to address different tasks. The system was developed as a result of a collaborative endeavor between computer scientists and orthopedic surgery and rehabilitation physicians. We present case studies showing physicians can utilize the information displayed to understand how individuals coordinate their muscles to initiate appropriate treatment and generate new hypotheses for future research.
Developing and Validating Simplified Predictive Models for CO2 Geologic Sequestration (2017)

The objective of this study is to develop and validate a portfolio of simplified modeling approaches for CO2 sequestration in deep saline formations. It is important to ensure that the simplified models, developed using reduced physics or statistical learning-based approaches, are also capable of reproducing the full spectrum of uncertainty and sensitivity analysis results from detailed numerical simulators. A 97-run LHS design with the full-physics numerical model is used to generate the reference cumulative distribution function (CDF) of two key outcomes: plume radius and average pressure buildup in the reservoir. This is compared against CDFs from 10,000-run LHS designs with three different simplified models: (a) response surface from a Box-Behnken design and quadratic meta-model, (b) response surface from a maximin LHS design and kriging meta-model, and (c) simplified physics based methodology. The differences are quantified using two statistical measures: (1) Earth-movers distance and (2) Kolmogorov-Smirnov statistic. The statistical learning-based simplified models are found to provide a more robust representation of the reference CDF, particularly with respect to outliers.
On the Design of Flexible Kronecker Product Beamformers with Linear Microphone Arrays (2019)

This paper proposes a method for the design of flexible Kronecker product beamformers based on the decomposition of the steering vector of a physical array as a Kronecker product of steering vectors of two smaller virtual arrays. With this decomposition, the global beamforming filter is designed by optimizing the two sub-beamformers in a cascaded manner, which can offer much flexibility to control the performance of beamforming or control the compromise between different, conflicted performance measures. In comparison with a recently developed method that restricts the number of microphones of the given physical array to a multiplication of two integers, each corresponding to the number of sensors of one virtual array, the approach in this work decomposes the physical array in such a way that the sensors in the two virtual arrays may share positions and the number of microphones of the physical array can be any positive integer. Simulations demonstrate the properties of the proposed approach.
Tetronic acid derivatives from Aspergillus panamensis. Production, isolation, characterization and biological activity. (1980)

When Aspergillus panamensis, CBS 120.45, was grown on a medium with high carbon and low nitrogen content, it was found to produce six antibiotically active metabolites. All compounds were identified as tetronic acid derivatives; three of them were found to be identical with gregatins A, B, and D, previously reported as metabolites of Cephalosporium gregatum. The other three compounds are new. All six compounds show antibacterial activity towards Gram-negative and Gram-positive bacteria. Five of the antibiotics exhibit inhibitory effects on the macromolecular syntheses in cells of the ascitic form of EHRLICH carcinoma (ECA) of mice.
Enhanced imaging complex velocity and gas clouds with full-waveform inversion in the Taranaki Basin, New Zealand (2019)

The Western Platform 3D survey is located in the Taranaki Basin, offshore New Zealand. Legacy imaging has suffered in the past due to difficulties with resolving multiple geological challenges present in the area. A complex shallow overburden across the survey area, in addition to The Cape Egmont Fault Zone, provide significant challenges to velocity model building. Shallow gas clouds are also prevalent throughout the survey area, increasing the imaging challenges at key zones of interest. To address these challenges, the combination of full-waveform inversion (FWI) and common image point tomography techniques was performed to derive a high-resolution velocity model. Additionally, visco-acoustic full-waveform inversion (Q-FWI) was also used to derive a detailed Q model representing the shallow gas bodies. In this case study, we demonstrate the successful application of refractions FWI, Q-FWI, and least-squares FWI using reflection energy to resolve the high-resolution velocity and Q models. This detailed model enabled the final imaging performed with Q-Kirchhoff prestack depth migration to compensate for the complex kinematics and gas-related absorption effects observed in the survey. Presentation Date: Tuesday, September 17, 2019 Session Start Time: 1:50 PM Presentation Time: 4:45 PM Location: 302B Presentation Type: Oral
Coupling pathways (2012)

In Chapter 10 we formulated a MASS model of glycolysis. We took a linear pathway and converted it into an open system with defined inputs and outputs, formed the dynamic mass balances, and then simulated its response to increased rate of energy use. In this chapter, we will show how one can build a dynamic simulation model for two coupled pathways that is based on an integrated stoichiometric scaffold for the two pathways. We start with the pentose pathway and then couple it to the glycolytic model from Chapter 10 to form a simulation model of two pathways to study their simultaneous dynamic responses.
Distributed policy based access to networked heterogeneous ISR data sources (2010)

Within a coalition environment, ad hoc Communities of Interest (CoI's) come together, perhaps for only a short time, with different sensors, sensor platforms, data fusion elements, and networks to conduct a task (or set of tasks) with different coalition members taking different roles. In such a coalition, each organization will have its own inherent restrictions on how it will interact with the others. These are usually stated as a set of policies, including security and privacy policies. The capability that we want to enable for a coalition operation is to provide access to information from any coalition partner in conformance with the policies of all. One of the challenges in supporting such ad-hoc coalition operations is that of providing efficient access to distributed sources of data, where the applications requiring the data do not have knowledge of the location of the data within the network. To address this challenge the International Technology Alliance (ITA) program has been developing the concept of a Dynamic Distributed Federated Database (DDFD), also know as a Gaian Database. This type of database provides a means for accessing data across a network of distributed heterogeneous data sources where access to the information is controlled by a mixture of local and global policies. We describe how a network of disparate ISR elements can be expressed as a DDFD and how this approach enables sensor and other information sources to be discovered autonomously or semi-autonomously and/or combined, fused formally defined local and global policies.
Quantification of some medical preparations of the plant origin (2017)

Inflammatory bowel disease (IBD) is a chronic gastrointestinal disorder, of multifactorial origin. &#13;\nThe pathogenetic mechanisms consist of immune dysregulation, altered intestinal microflora, oxidative stress, defects in the gastrointestinal mucosal barrier and increased permeability, altered intestinal motility, whose interplay leads to the onset of a state of chronic mucosal inflammation.1&#13;\nThe drugs for IBD treatment include corticosteroids, immunosuppressants, and anti-tumor necrosis factor (TNF)-α antibodies, and new therapeutic molecules, that increase the risk of opportunistic infections and malignancies. Furthermore, their efficacy decreases over time and highlights the need to identify new molecular targets for IBD therapy .1&#13;\nScientific Research aims at identifying tools able to affect several targets, with minimal side effects.&#13;\nNutraceutical identifies foods, or food phytochemicals, of animal or vegetal origin, with pharmaceutical properties.&#13;\nMany vegetal extracts determine several effects towards the gastrointestinal tract, which may result in clinical benefits in subjects suffering from IBD.2&#13;\nCastanea sativa Mill. bark extract (ENC), containing high amounts of hydrolizable tannins (Fig. 1), inhibits spasmodic contractions, induced by carbachol, histamine, potassium chloride, and barium chloride in guinea pig ileum and by carbachol or serotonin in guinea pig proximal colon.3 Furthermore, ENC increases gallbladder contraction and relaxes the sphincter of Oddi, suggesting its chronic administration may result not only in a restoration of gastrointestinal contractility, but also in the prevention of gallstone disease. 4&#13;\nAlso Acacia catechu Willd. extract (ACE) was investigated.5&#13;\nACE contains high amounts of catechins, such as (-)-Epicatechin and (+)-Catechin. This extract decreases, in a concentration-dependent manner, colon and ileum spontaneous contractility. In addition, ACE exerts a calcium antagonistic effect, more potent in proximal colon than in ileum. Furthermore, it exhibits antimicrobial effects against Campylobacter jejuni, Escherichia coli, and Salmonella spp., without inhibiting Bifido and Lactobacillus.&#13;\nThese data support the use of ENC and ACE as coadjuvant in the treatment of IBD.