gebhart/patrepeval huggingface dataset:
DARSTELLUNG UND NMR-SPEKTROSKOPISCHE UNTERSUCHUNGEN DERN-(o-AMINOPHENYL)IMINOPHOSPHORANE (1983)

Abstract The preparation of various N-(aminophenyl)iminophosphoranes is described. The new compounds are characterized by the usual analytical methods and by 31P-NMR-spectroscopy. For some compounds the results indicate an equilibrium with 2,3-dihydro-1,3,2-λ5-benzodiazaphospholes. The equilibrium constants and the thermodynamic parameters δH, ΔG and ΔS are obtained by quantitative NMR measurements. The position of the equilibrium depends strongly on the substituents as well as on the solvent used. Die Herstellung verschiedener N-(Aminophenyl)iminophosphorane wird beschrieben. Diese neuen Verbindungen werden mit Hilfe der üblichen analytischen Methoden und durch 31P-NMR-Untersuchungen charakterisiert. Dabei zeigte sich, daß einige Verbindungen im Gleichgewicht mit den entsprechenden 2,3-Dihydro-1,3,2 δ5-benzodiazaphospholen vorliegen. Die Gleichgewichtskonstanten und die thermodynamischen Parameter ΔH, ΔG and ΔS werden durch quantitative Auswertung der NMR-Spektren bestimmt. Die Lage des Gleichgewichts wird durch die Substituenten und die Lösungsmittel stark beeinflußt.
Lab Tests and Modeling of CO2 Injection in Chalk with Fracture-Matrix Transport Mechanisms (2016)

Abstract The main focus of this paper is to present experimental and simulation results that describe CO2 injection in a chalk sample with fracture-matrix interaction at reservoir conditions. Based on the experiments, simulation models are built to mimic the main transport phenomena, including diffusion, which is found to be particularly important. The first two experiments consist of a vertically-oriented 7.4 cm long Sigerslev outcrop chalk core with a 3.7 cm diameter. A single "fracture" is represented by a centralized hole with a 0.6 cm diameter along the core, giving a pore-to-fracture volume ratio of 18. Both matrix and fracture are initially saturated with a North Sea stock tank oil (STO) at 110 °C and 258 bara. Once the initial conditions are established, CO2 is injected from the top of the fracture and the oil is produced from the bottom. Injected CO2 diffuses into the oil in the matrix and swells the oil. Once the oil in the fracture has drained, the matrix feeds the fracture with oil at decreasing rates, with the test lasting up to 440 hours (~34 pore-volume-injected, PVinj). The third experiment is similar, but laboratory oil n-C10 (Lab-Oil) is used instead of STO. Lab-Oil and CO2 have very similar densities at the chosen experimental conditions, which minimizes gravity-driven convective (Darcy) transport and maximizes the impact of diffusion. Our modeling is conducted with a compositional reservoir simulator. A tuned equation of state (EOS) model accounts for proper estimation of the phase and volumetric properties for CO2 mixtures in the STO and n-C10 systems. Automated history matching is used to fit the experimental data. Numerical simulations are conducted to match experimental oil production data by tuning the oil and gas diffusion coefficients. Good agreement between the numerical model and the experimental data is obtained. For the n-C10 system in particular, we find the results are not sensitive to vertical permeability, confirming displacement is dominated by diffusion rather than convective flux. Verifying the accuracy of modeling the diffusion-dominated processes in a fractured chalk system with CO2 at reservoir conditions has been accomplished. This is an important step towards modeling an actual fractured chalk / reservoir oil system undergoing CO2 injection. The experimental and modeling results demonstrate a method to isolate diffusion-driven transport in a fracture-matrix chalk system at reservoir conditions. A commercial reservoir simulator is able to reproduce laboratory results adequately.
Analysis of nuclear magnetic resonance spin echoes using simple structure factors (1994)

The measured amplitude M(q,t) in a pulsed field gradient spin echo experiment probes the pore structure using two length scales, the gradient length q−1, and the diffusion length [D(t)t]1/2. M(q,t) can be well represented by a convolution of the structure factor of the connected pore space with an appropriate Gaussian propagator. This ansatz provides a model-independent way of obtaining the structure factor. In this paper, we consider the forward problem of understanding the amplitude M(q,t) using the simplest possible models for the structure factors which involve only one length scale. The most prominent among the simple models is the Debye model, which provides us with an understanding of the various length scales in the problem. We study several other structure factors, all definable by a single parameter—collections of tubes, collections of sheets, and collections of impenetrable spheres. We discuss periodic geometries for which the ansatz becomes exact in the long time limit. Implications for a ball and stick model for the pore geometry are discussed.
Genetic Risk and Atrial Fibrillation in Patients with Heart Failure (2020)

The AF genetic risk score was associated with increased AF prevalence in HFrEF and HFpEF. Genetic variation accounted for 22.9% of overall AF SNP heritability. Addition of genetic risk to clinical risk improved model performance in classifying AF prevalence.
Transport properties for turbulent dispersion from wall sources (2003)

Abstract The dispersion of a passive contaminant by turbulence is not only intrinsically interesting, but also is fundamental to practical heat‐ and mass‐transfer problems. The mechanism of turbulent dispersion from the wall and effects of the molecular Prandtl number are examined. Transport properties for scalar dispersion from an instantaneous line source at the wall of a parallel‐plate channel in which fully developed turbulent flow occurs, as well as from a continuous line source, are studied. Numerical experiments using a direct numerical simulation (DNS) of the flow, combined with Lagrangian scalar tracking (LST) of trajectories of thermal markers in the flow field, are conducted. The method is applied for a wide range of molecular Prandtl (Pr) or Schmidt (Sc) number fluids (0.1⩽Pr⩽50,000, which corresponds to liquid metals, gases, refrigerants, lubricants and electrochemical fluids). Results from the DNS/LST method are compared with experimental data, which are available for low Pr or Sc fluids. The turbulent diffusivity and turbulent Prandtl number for the plume that results from a line source are calculated, and an appropriate scaling is proposed. Finally, a model is developed for the prediction of the mean temperature or mean concentration profile as a function of Pr or Sc.
Phase Diagram and Structural Diversity of the Densest Binary Sphere Packings (2011)

The densest binary sphere packings have historically been very difficult to determine. The only rigorously known packings in the α-x plane of sphere radius ratio α and relative concentration x are at the Kepler limit α=1, where packings are monodisperse. Utilizing an implementation of the Torquato-Jiao sphere-packing algorithm [S. Torquato and Y. Jiao, Phys. Rev. E 82, 061302 (2010)], we present the most comprehensive determination to date of the phase diagram in (α,x) for the densest binary sphere packings. Unexpectedly, we find many distinct new densest packings.
COVID 19- NEW LESSON FOR SIMPLE LIVING (2020)

The global emergencies and a pandemic disease called Coronavirus disease (COVID-19) is caused by a coronavirus. So many peoples are infected with COVID 19 including of older, younger, and another age group also but peoples who infected with chronic illness its increases the chances of death. All around the world the lockdown itÂs a continue to prevent from the infection, During this lockdowns, all are news related to the corona is important and people are having anxiety with COVID19. No one is thinking regarding corona before this and it would kill the peoples, all countries to lockdown, all the transportation its stopped daily life its stopped, all the companies, schools, colleges, malls, gyms, and public places shut down and all are the lock in the home. A new lesson from lockdown its work from home, taking care of the people, making all the financial arrangements, donÂt do the overburden of expenses or EMI, all the documents in the bank account should be updated, enjoy the time with the family members, and improving the thinking of the help and religion. The environment also clean and nature was good for life, more time to talk with friends and relatives, and in the limited sources also we are spending our life more happy and beautiful.
Heritability of brain volume, surface area and shape: An MRI study in an extended pedigree of baboons (2007)

To evaluate baboons (Papio hamadryas) as a primate model for the study of the genetic control of brain size and internal structure, we performed high resolution (<500 microm) magnetic resonance imaging on 109 pedigreed baboons. Quantitative genetic analysis of these MR images using a variance components approach indicates that native (untransformed) brain volume exhibits significant heritability among these baboons (h(2) = 0.52, P = 0.0049), with age and sex also accounting for substantial variation. Using global spatial normalization, we transformed all images to a standard population-specific reference, and recalculated the heritability of brain volume. The transformed images generated heritability estimates of h(2) = 0.82 (P = 0.00022) for total brain volume, h(2) = 0.86 (P = 0.0006) for cerebral volume, h(2) = 0.73 (P = 0.0069) for exposed surface area of the cerebrum and h(2) = 0.67 (P = 0.01) for gray matter volume. Regional differences in the genetic effects on brain structure were calculated using a voxel-based morphometry (VBM) approach. This analysis of regional variation shows that some areas of motor cortex and the superior temporal gyrus show relatively high heritability while other regions (e.g. superior parietal cortex) exhibit lower heritability. The general pattern of regional differences is similar to that observed in previous studies of humans. The present study demonstrates that there is substantial genetic variation underlying individual variation in brain size and structure among Papio baboons, and that broad patterns of genetic influence on variation in brain structure may be similar in baboons and humans.
Polyphosphazenes as Adjuvants for Animal Vaccines and Other Medical Applications (2021)

Polyphosphazenes are a class of experimental adjuvants that have shown great versatility as vaccine adjuvants in many animal species ranging from laboratory rodents to large animal species. Their adjuvant activity has shown promising results with numerous viral and bacterial antigens, as well as with crude and purified antigens. Vaccines adjuvanted with polyphosphazenes can be delivered via systemic and mucosal administration including respiratory, oral, rectal, and intravaginal routes. Polyphosphazenes can be used in combination with other adjuvants, further enhancing immune responses to antigens. The mechanisms of action of polyphosphazenes have not fully been defined, but several systematic studies have suggested that they act primarily by activating innate immunity. In the present review, we will highlight progress in the development of polyphosphazenes as adjuvants in animals and their other medical applications.
ANALYSIS OF VEGETABLE OIL TRANSESTERIFICATION PRODUCTS BY GEL PERMEATION CHROMATOGRAPHY (2000)

A method for simultaneous analysis of transesterification reaction products — triglycerides, diglycerides, monoglycerides, methyl esters, and glycerol — was developed using gel permeation chromatography. Two Phenogel columns are coupled in series to a refractive index detector, and tetrahydrofuran is used as the mobile phase. Sample preparation involves only dilution and neutralization. The column was calibrated with standard solutions of the compounds. Reproducibility of the method was good: analysis of palm oil transesterification products at different levels of conversion showed a relative standard deviation of 0.27% – 3.87%
The Prolyl-tRNA Synthetase Inhibitor Halofuginone Inhibits SARS-CoV-2 Infection (2021)

We identify the prolyl-tRNA synthetase (PRS) inhibitor halofuginone <sup>1</sup> , a compound in clinical trials for anti-fibrotic and anti-inflammatory applications <sup>2</sup> , as a potent inhibitor of SARS-CoV-2 infection and replication. The interaction of SARS-CoV-2 spike protein with cell surface heparan sulfate (HS) promotes viral entry <sup>3</sup> . We find that halofuginone reduces HS biosynthesis, thereby reducing spike protein binding, SARS-CoV-2 pseudotyped virus, and authentic SARS-CoV-2 infection. Halofuginone also potently suppresses SARS-CoV-2 replication post-entry and is 1,000-fold more potent than Remdesivir <sup>4</sup> . Inhibition of HS biosynthesis and SARS-CoV-2 infection depends on specific inhibition of PRS, possibly due to translational suppression of proline-rich proteins. We find that pp1a and pp1ab polyproteins of SARS-CoV-2, as well as several HS proteoglycans, are proline-rich, which may make them particularly vulnerable to halofuginone's translational suppression. Halofuginone is orally bioavailable, has been evaluated in a phase I clinical trial in humans and distributes to SARS-CoV-2 target organs, including the lung, making it a near-term clinical trial candidate for the treatment of COVID-19.
Fabrication of two-dimensional tungsten photonic crystals for high-temperature applications (2011)

This article details microfabrication of two-dimensional tungsten photonic crystals (2D W PhCs) for high-temperature applications such as selective thermal emitters for thermophotovoltaic energy conversion. In particular, interference lithography and reactive ion etching are used to produce large area single crystal tungsten 2D PhCs. For this investigation, we fabricated a 2D W PhC sample consisting of an array of cylindrical cavities with 800 nm diameter, 1.2 μm depth, and 1.2 μm period. Extensive characterization and calibration of all microfabrication steps are presented. Experimentally obtained thermal emissivity spectrum is shown to match well with numerical simulations.
How Common Is Malnutrition in ESRD? New Approaches to Diagnosis of Malnutrition (2008)

Malnutrition is associated with increased mortality in the dialysis population. However, the true prevalence of malnutrition is not known due to the lack of simple diagnostic strategies for assessing nutritional status. Internationally recommended diagnostic algorithms mainly include the one-time assessment of nutritional indices and comparison to normal reference values. However, these indices do not take into account the dynamics of malnutrition which is associated with a progressive change in body composition and loss in muscle mass. Longitudinal assessment of changes in body composition may be necessary to improve timing and accuracy of the diagnosis of undernutrition. Whole-body as well as segmental multifrequency bioimpedance spectroscopy have been shown to yield good estimates of total body or segmental (limb) muscle mass. Bioimpedance spectroscopy is a relatively inexpensive, non-invasive, painless method requiring only minimal operator training, which in the near future may prove useful for nutritional management of ESRD patients.
Post-Drive Standing Balance of Vehicle Passengers Using Wearable Sensors: The Effect of On-Road Driving and Task Performance (2021)

Postural sway has been demonstrated to increase following exposure to different types of motion. However, limited prior studies have investigated the relationship between exposure to normative on-road driving conditions and standing balance following the exposure. The purpose of this on-road study was to quantify the effect of vehicle motion and task performance on passengers' post-drive standing balance performance. In this study, trunk-based kinematic data were captured while participants performed a series of balance exercises before and after an on-road driving session in real-time traffic. Postural sway for all balance exercises increased following the driving session. Performing a series of ecologically relevant visual-based tasks led to increases in most post-drive balance metrics such as sway position and velocity. However, the post-drive changes following the driving session with a task were not significantly different compared to changes observed following the driving session without a task. The post-drive standing balance performance changes observed in this study may increase vulnerable users' risk of falling. Wearable sensors offer an opportunity to monitor postural sway following in-vehicle exposures.
Robust Adaptive Beamformer with LMI Constraints on Magnitude Response (2008)

In this paper, a novel robust adaptive antenna array with new linear matrix inequality (LMI) constraints on the array magnitude response is proposed. Most of the advanced robust adaptive beamformers, which are robust against arbitrary array steering vector (ASV) errors within a presumed uncertainty set, have poor performance facing a large uncertainty on direction-of-arrival (DOA). Since the DOA uncertainty may result in a large error in the ASV, a big uncertainty set is required to make the adaptive array robust against a large DOA error. The adverse effect is the degraded output signal-to-interference- plus-noise ratio (SINR). In this paper, a compact model of ASV uncertainty set is described by the uncertainties on DOA and other arbitrary ASV errors explicitly. Based on this new ASV uncertainty set, a novel robust adaptive beamformer is derived. In order to eliminate the semi-infinite constraint in the proposed beamformer, new LMI constraints are derived. The proposed beamformer possesses superior robustness against arbitrary array imperfections as well as a large DOA error. A large robust response region is easy to achieve and the resultant beamformers still have high performance on SINR enhancement.
Effect of Particle Motion in Isolated Mixing Regions on Mixing in Stirred Vessel (2009)

Particle motions within isolated mixing regions (IMRs) were experimentally investigated at low Reynolds numbers. The trajectories of resin particles (density: 1377–1663 kg/m3; diameter: 5 mm) were analyzed using image processing techniques. The effect of particle motion on mixing was also investigated by the decolorization of fluorescent green dye by acid-base neutralization. After a particle was captured within an IMR, it moved along various torus orbits within the IMR. The radius of secondary circulation of the particle varied between 6–17.3 mm. It is speculated that this change in the radius enhances the exchange of material between an IMR and the surrounding active mixing region.
Supplementary Table 1 from Chemogenomic Profiling Provides Insights into the Limited Activity of Irreversible EGFR Inhibitors in Tumor Cells Expressing the T790M EGFR Resistance Mutation (2023)

Supplementary Table 1 from Chemogenomic Profiling Provides Insights into the Limited Activity of Irreversible EGFR Inhibitors in Tumor Cells Expressing the T790M EGFR Resistance Mutation
Leakage monitoring and control with an advanced e-beam inspection system (2006)

Junction leakage control is studied with electron beam (e-beam) defect inspection after tungsten chemical mechanical polishing (WCMP). Leakage-induced bright voltage contrast (BVC) defects are detected. For both wafer to wafer (WtW) and within wafer (WiW), e-beam inspection results strongly correlate with leakage results of wafer acceptance test (WAT). Failure analysis results showed that the junction leakage was caused by lateral diffusion of nickel silicide (NiSi) underneath the spacer. The extrusion length correlates with gray levels of the tungsten plug very well. In this study we found the optimized condition to suppress junction leakage and also confirmed that post WCMP e-beam inspection can be used to monitor and control junction leakage.
Electromagnetics, heat transfer, and thermokinetics in microwave sterilization (2001)

Abstract Sterilization of solid foods using microwave power was studied using numerical modeling and specialized experimental verification. Maxwell's equations and the heat conduction equation were coupled using two separate finite‐element programs and specially written modules to couple the programs. Spatial distributions of thermal‐time, representing sterilization, were calculated from time‐temperature history and first‐order kinetics. Experimentally, concentrations of marker compounds formed during heating were measured and taken as indices of thermal‐time. Experimental data on marker formation combined with numerical calculations provide an accurate and comprehensive picture of the sterilization process and represent a major step in establishing the efficacy of microwave sterilization processing. Unlike conventional sterilization, heating patterns can change qualitatively with geometry (shape and size) and properties (composition) of the food material, but optimal heating is possible by choosing suitable combinations of these factors. Combined with marker yield measurements, the numerical model can give comprehensive descriptions of the spatial time‐temperature history, and thus can be used to verify the sterilization process.
Discovery, Optimization, and Biological Characterization of 2,3,6‐Trisubstituted Pyridine‐Containing M4 Positive Allosteric Modulators (2019)

Herein we describe the discovery and optimization of a new series of 2,3-disubstituted and 2,3,6-trisubstituted muscarinic acetylcholine receptor 4 (M<sub>4</sub> ) positive allosteric modulators (PAMs). Iterative libraries enabled rapid exploration of one-dimensional structure-activity relationships (SAR) and identification of potency-enhancing heterocycle and N-alkyl pyrazole substituents. Further optimization led to identification of the potent, receptor-subtype-selective, brain-penetrant tool compound 24 (7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridyl]-3-methoxycinnoline). It is efficacious in preclinical assays that are predictive of antipsychotic effects, producing dose-dependent reversal of amphetamine-induced hyperlocomotion in rats and mice, but not in M<sub>4</sub> knockout mice. Cholinergic-related adverse effects observed in rats treated with 24 at unbound plasma concentrations more than 3-fold higher than an efficacious dose in the hyperlocomotion assay were fewer and less severe than those observed in rats treated with the nonselective M<sub>4</sub> agonist xanomeline, suggesting a receptor-subtype-selective PAM has the potential for an improved safety profile.
Biosynthesis of the antitumor antibiotic naphthyridinomycin (1982)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBiosynthesis of the antitumor antibiotic naphthyridinomycinMilton J. Zmijewski Jr., Marcia Mikolajczak, Venkatappa Viswanatha, and Victor J. HrubyCite this: J. Am. Chem. Soc. 1982, 104, 18, 4969–4971Publication Date (Print):September 1, 1982Publication History Published online1 May 2002Published inissue 1 September 1982https://pubs.acs.org/doi/10.1021/ja00382a049https://doi.org/10.1021/ja00382a049research-articleACS PublicationsRequest reuse permissionsArticle Views141Altmetric-Citations30LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts