gebhart/patrepeval huggingface dataset:
An Evaluation of Steady-State-Based Pressure-Saturation Predictions in Gas-Condensate Reservoirs Under Various Reservoir and Well Operating Conditions (2019)

Summary The analysis of pressure-transient and rate-transient data in gas-condensate reservoirs (GCRs), operating below dewpoint pressure (Pdew) often requires using two-phase pseudovariables. These are used to handle the nonlinearities that arise in the governing partial-differential equation as a result of pressure-dependent saturation, mobility, and fluid-property changes. The incorporation of relative permeability (kr) data in the computation of such pseudovariables requires a priori knowledge of sufficiently representative pressure-saturation relationships. For this purpose, a number of analytical and semianalytical pressure-saturation prediction methods can be found in the literature. In this study, a pressure-saturation prediction method, which relates component weight fractions (in the gas phase, the condensate phase, and the reservoir fluid mixture) and gas fractional flow [or gas to total gas-plus-condensate flow rate (GTR)] to pressure, was used to compute pressure-saturation relationships for various reservoir fluids and two rock types. The computed pressure-saturation relationships were compared to the responses observed in the near-wellbore region of corresponding single-well 1D radial homogeneous compositional reservoir-simulation models operated at constant well flowing pressures (Pwf) lower than Pdew. Sensitivities were conducted to highlight the impact of gas-condensate fluid richness, kr characteristics, degree of reservoir undersaturation (Pi – Pdew), and Pwf on observed trends in the representativity of the predicted pressure-saturation relationships. Like other methods based on two-phase steady-state (SS) assumptions, the condensate saturations predicted by the GTR method generally matched those observed around the wellbore in the simulation models when Pi – Pdew was sufficiently high. For cases in which Pi – Pdew was not sufficiently high, an examination of radial pressure and saturation profiles from the simulation models showed that the trend of increased condensate saturation levels observed around the wellbore with increasing degrees of reservoir undersaturation, as reported in literature, represents one of three possible trends (i.e., increasing, decreasing, and almost-constant condensate-saturation levels). For cases in which the predicted GTR-based pressure-saturation curve showed lower (higher) condensate saturations than the pressure/volume/temperature (PVT) liquid-saturation curves at the given Pwf, increasing Pi – Pdew resulted in decreasing (increasing) condensate-saturation levels around the wellbore. The results indicate that at low Pi – Pdew values, trends in two-phase SS-based analysis techniques are affected by the gas-condensate fluid richness and the nature of the kr characteristics. It is also shown that for cases in which there is not much of a difference between PVT-based and SS-based pressure-saturation curves, variations in the Pi – Pdew do not affect the condensate-saturation levels around the wellbore.
Structural characterization of tetrakis(1,3-diazinane-2-thione)cadmium(II) sulfate (2015)

A cadmium(II) complex tetrakis(1,3-diazinane-2-thione)cadmium(II) sulfate [Cd(Diaz)4]SO4 (1) is prepared and its crystal structure is determined by X-ray crystallography. The crystal structure of 1 consists of [Cd(Diaz)4]2+ and SO 4 2− ions. In the complex ion, the central cadmium atom is coordinated by four Diaz molecules through sulfur atoms adopting a distorted tetrahedral geometry. The molecular structure is stabilized by N-H…O and N-H…S hydrogen bonding interactions. The complex is also characterized by IR and NMR spectroscopy and the spectroscopic data are discussed in terms of the nature of bonding.
Analyzing Nested Experimental Designs – A User-Friendly Resampling Method to Determine Experimental Significance (2021)

Abstract We report Hierarch , a Python package to perform hypothesis tests and compute confidence intervals on hierarchical experimental designs. Using a combination of permutation resampling and bootstrap aggregation, Hierarch can be used to perform hypothesis tests that maintain nominal Type I error rates and generate confidence intervals that maintain the nominal coverage probability without making distributional assumptions about the dataset of interest. Hierarch makes use of the Numba JIT compiler to reduce p- value computation times to under one second for typical datasets in biomedical research. Hierarch also enables researchers to construct user-defined resampling plans that take advantage of Hierarch’s Numba-accelerated functions. Hierarch is freely available as a Python package at https://github.com/rishi-kulkarni/hierarch .
Setting the Demons Loose: Computational Irreducibility Does Not Guarantee Unpredictability or Emergence (2022)

Abstract A phenomenon resulting from a computationally irreducible (or computationally incompressible) process is supposedly unpredictable except via simulation. This notion of unpredictability has been deployed to formulate recent accounts of computational emergence. Via a technical analysis, I show that computational irreducibility can establish the impossibility of prediction only with respect to maximum standards of precision. By articulating the graded nature of prediction, I show that unpredictability to maximum standards is not equivalent to being unpredictable in general. I conclude that computational irreducibility fails to fulfill its assigned philosophical roles in theories of computational emergence.
Surface Potential Mapping and Charge Center Detection on Oxidized Silicon Surfaces by Vacuum-Gap Modulation Scanning Tunneling Spectroscopy (2007)

Spatial variation of local work function (LWF), which represents the surface potential, was examined for p‐n junctions on a Si(111) substrate and for (110) cross sectional surfaces of boron‐doped p‐p+ multi‐layers (1E17–5E19/cm3) grown on a (001) substrate. The LWF maps obtained by the vacuum‐gap modulation scanning tunneling spectroscopy (VGM‐STS) on oxygen‐passivated atomically flat (111) terraces reveal the variation in carrier density across a p‐n junction. Density of local fluctuations in LWF maps (i) decreases with increase of the bias voltage, and (ii) correlates well with the boron doping concentration, verifying their origin in local electrostatic fields around negative point charge centers and in particular, boron acceptors beneath the surface. The results demonstrate the ability of VGM‐STS to measure both the surface potential and distribution of charge centers with a sub‐nanometer resolution on oxidized Si surfaces.
Role of radiotherapy and dose-densification of R-CHOP in primary mediastinal B-cell lymphoma: A subgroup analysis of the unfolder trial of the German Lymphoma Alliance (GLA). (2020)

8041 Background: Primary mediastinal B-cell lymphoma (PMBCL) is a distinct entity of aggressive lymphoma, which typically presents in young patients (pts) with a bulky mediastinal mass. Therapy is based on R-CHOP or similar regimens, but the role of treatment intensification and consolidative radiotherapy (RT) is controversial, because data from randomized trials are rare. Methods: The UNFOLDER trial included 18-60 year-old pts (aaIPI = 0 with Bulk [≥7.5 cm] or aaIPI = 1) qualifying for radiotherapy to Bulk or extralymphatic involvement (E). Pts were randomized in a 2 x 2 factorial design to 6xR-CHOP-14 or 6x-R-CHOP-21 without RT or with RT (39.6 Gy) to Bulk and E. Primary endpoint was event-free survival (EFS), secondary endpoints were progression-free (PFS) and overall survival (OS). Response was evaluated by the Internat Standardized Response Criteria, Cheson 1999. Results: 131 PMBCLs were included with a median age of 34 years, 54% were female, 79% had elevated LDH &gt; UNV and 24% had E. 82 pts (R-CHOP-21: 43; R-CHOP-14: 39) were assigned to RT and 49 (R-CHOP-21: 27, R-CHOP-14: 22) to no-RT. 96% (79/82) received RT per protocol and 5 pts in the no-RT arm received unplanned RT (4 after PR and 1 after CR/CRu). Response RT vs no-RT were CR/Cru 94% vs 84%, PR 2% vs 10%, PD 2% vs 4%. 3-year EFS was superior in pts assigned to RT (94% vs. 78%; p = 0.007), mostly due to events caused by initiation of RT (n = 5) in the no-RT arm. In an as treated analysis the difference between the RT and the no-RT arm was not significant (p = 0.136). Regarding PFS and OS no difference between the RT vs no-RT arm was detected (PFS: 95% (95% CI: 90-100) vs 90% (95% CI: 81-98), p = 0.253; OS: 98% (95% CI: 94-100) vs 96% (95% CI: 90-100), p = 0.636). Dose-densification of R-CHOP-21 by R-CHOP-14 did not improve EFS, PFS nor OS. Only 4 pts died. Conclusions: To our knowledge, this is the largest series of PMBCLs so far, which have been treated in a prospective, randomized trial in the rituximab era. The results reveal no differences between R-CHOP-14 vs R-CHOP-21. Pts assigned to RT had a superior EFS mostly due to a higher PR rate in the no-RT arm triggering RT, with no differences in PFS and OS. The results suggest a benefit of RT only for pts, who are responding to R-CHOP with PR. Testing RT in PET-positive residual tumors in a randomized trial can solve the question, while RT in PET-negative pts is studied in the ongoing randomized IELSG 37 trial. Our results indicate a very favorable 3-year OS of 96% in PMBCL pts treated with R-CHOP. Supported by Deutsche Krebshilfe, Amgen and Roche. Clinical trial information: NCT00278408 .
STEAR (2019)

This paper shows that inertial measurement units (IMUs) inside earphones offer a clear advantage in counting the number of steps a user has walked. While step-count has been extensively studied in the mobile computing community, there is wide consensus that false positives are common. The main reason for false positives is due to limb and device motions producing the same periodic bounce as the human walk. However, when IMUs are at the ear, we find that many of the lower-body motions are naturally "filtered out", i.e., these noisy motions do not propagate all the way up to the ear. Hence, the earphone IMU detects a bounce produced only from walking. While head movements can still pollute this bouncing signal, we develop methods to alleviate the problem. Results show 95% step-count accuracy even in the most difficult test case -- very slow walk -- where smartphone and fitbit-like systems falter. Importantly, our system STEAR is robust to changes in walking patterns and scales well across different users. Additionally, we demonstrate how STEAR also bring opportunities for effective jump analysis, often important for exercises and injury-related rehabilitation.
100 gigabit Ethernet transport: Part 2 [Guest editorial (2010)

In this third installment of our series on 100GbE, we continue our investigation, contributing articles on network design issues, access technology, digital signal processing requirements, and more field trial results. We also explore technology trends for next-generation systems beyond 100 Gb/s per wavelength.
Nickel-Catalyzed Exhaustive Hydrodefluorination of Perfluoroalkyl Arenes (2023)

Perfluoroalkyl compounds are persistent environmental pollutants due to their strong C(sp<sup>3</sup>)-F bonds. Hydrodefluorination has emerged as a potential alternative disposal method for perfluoroalkyl compounds. Although the transformation of trifluoromethyl arenes into the corresponding methyl arenes has been studied by several research groups, hydrodefluorination reactions of longer perfluoroalkyl chains remain rare. Herein, we report exhaustive hydrodefluorination reactions of pentafluoroethyl arenes and longer-chain analogues using molecular nickel catalysis. Despite the cleavage of multiple C(sp<sup>3</sup>)-F bonds, the reaction already proceeds upon gentle heating (60 °C). A mechanistic investigation indicated that the reaction proceeds via benzylic hydrodefluorination reactions followed by homobenzylic ones. We reveal the multiple roles of the Ni catalyst, which include C-F bond cleavage, promotion of HF elimination, and hydrosilylation.
Electrical impedance tomography of complex conductivity distributions with noncircular boundary (1997)

Electrical impedance tomography (EIT) uses low-frequency current and voltage measurements made on the boundary of a body to compute the conductivity distribution within the body. Since the permittivity distribution inside the body also contributes significantly to the measured voltages, the present reconstruction algorithm images complex conductivity distributions. A finite element model (FEM) is used to solve the forward problem, using a 6017-node mesh for a piecewise-linear potential distribution. The finite element solution using this mesh is compared with the analytical solution for a homogeneous field and a maximum error of 0.05% is observed in the voltage distribution. The boundary element method (BEM) is also used to generate the voltage data for inhomogeneous conductivity distributions inside regions with noncircular boundaries. An iterative reconstruction algorithm is described for approximating both the conductivity and permittivity distributions from this data. The results for an off-centered inhomogeneity showed a 35% improvement in contrast from that seen with only one iteration, for both the conductivity and the permittivity values. It is also shown that a significant improvement in images results from accurately modeling a noncircular boundary. Both static and difference images are distorted by assuming a circular boundary and the amount of distortion increases significantly as the boundary shape becomes more elliptical. For a homogeneous field in an elliptical body with axis ratio of 0.73, an image reconstructed assuming the boundary to be circular has an artifact at the center of the image with an error of 20%. This error increased to 37% when the axis ratio was 0.64. A reconstruction algorithm which used a mesh with the same axis ratio as the elliptical boundary reduced the error in the conductivity values to within 0.5% of the actual values.
Re-engineering Vesicular Stomatitis Virus to Abrogate Neurotoxicity, Circumvent Humoral Immunity, and Enhance Oncolytic Potency (2014)

As cancer treatment tools, oncolytic viruses (OV) have yet to realize what some see as their ultimate clinical potential. In this study, we have engineered a chimeric vesicular stomatitis virus (VSV) that is devoid of its natural neurotoxicity while retaining potent oncolytic activity. The envelope glycoprotein (G) of VSV was replaced with a variant glycoprotein of the lymphocytic choriomeningitis virus (LCMV-GP), creating a replicating therapeutic, rVSV(GP), that is benign in normal brain but can effectively eliminate brain cancer in multiple preclinical tumor models in vivo. Furthermore, it can be safely administered systemically to mice and displays greater potency against a spectrum of human cancer cell lines than current OV candidates. Remarkably, rVSV(GP) escapes humoral immunity, thus, for the first time, allowing repeated systemic OV application without loss of therapeutic efficacy. Taken together, rVSV(GP) offers a considerably improved OV platform that lacks several of the major drawbacks that have limited the clinical potential of this technology to date.
Supplementary Figure 2 from Identification and Analysis of <i>In Vivo</i> VEGF Downstream Markers Link VEGF Pathway Activity with Efficacy of Anti-VEGF Therapies (2023)

&lt;p&gt;PDF file - 708K, Fig S2A. Histological evidence for the in vivo activity of VEGF pathway inhibitors in MDA-MB-231 tumors. Fig S2B. In vivo VEGF blockade or VEGFR-2 downstream signaling inhibition induces consistent downregulation of proxVDV genes. Fig S2C. The proxVDV gene ESM1 is an in vivo VEGF target specifically expressed in tumor-associated vasculature&lt;/p&gt;
A Bayesian spatiotemporal statistical analysis of out‐of‐hospital cardiac arrests (2020)

We propose a Bayesian spatiotemporal statistical model for predicting out-of-hospital cardiac arrests (OHCAs). Risk maps for Ticino, adjusted for demographic covariates, are built for explaining and forecasting the spatial distribution of OHCAs and their temporal dynamics. The occurrence intensity of the OHCA event in each area of interest, and the cardiac risk-based clustering of municipalities are efficiently estimated, through a statistical model that decomposes OHCA intensity into overall intensity, demographic fixed effects, spatially structured and unstructured random effects, time polynomial dependence, and spatiotemporal random effect. In the studied geography, time evolution and dependence on demographic features are robust over different categories of OHCAs, but with variability in their spatial and spatiotemporal structure. Two main OHCA incidence-based clusters of municipalities are identified.
Design of opto-electronic nano-structures, capability for optimization of different solar cells (2013)

Development of CAD tools for optical devices is under way to include multi-physics tools. Previously, tools like “RCWA” was used for the diffraction mode of periodic structure analysis, while FDTD is typically used as a general numerical method for analyzing field propagation in the time domain to investigate transmission, reflection, and absorption of electromagnetic energy for devices like optical ring resonators. Meanwhile, for sources it is essential to analyze the semiconductor physics, generation and recombination of electron/hole pairs and the photons generation efficiency linking current to light like in lasers, LEDs, photodiodes, and solar cells.
Molecular target sizes of inositol 1,4,5-trisphosphate receptors in liver and cerebellum (1990)

Ins(1,4,5)P3 is the intracellular messenger that mediates the effects of many cell-surface receptors on intracellular Ca2+ stores. Although radioligand-binding studies have identified high-affinity Ins(1,4,5)P3-binding sites in many tissues, these have not yet been convincingly shown to be the receptors that mediate Ca2+ mobilization, nor is it clear whether there are differences in these binding sites between tissues. Here we report that Ins(1,4,5)P3 binds to a single class of high-affinity sites in both permeabilized hepatocytes (KD = 7.8 +/- 1.1 nM) and cerebellar membranes (KD = 6.5 +/- 2.4 nM), and provide evidence that these are unlikely to reflect binding to either of the enzymes known to metabolize Ins(1,4,5)P3. Furthermore, the rank order of potency of synthetic inositol phosphate analogues in displacing specifically bound Ins(1,4,5)P3 is the same as their rank order of potency in stimulating mobilization of intracellular Ca2+ stores, suggesting that the Ins(1,4,5)P3-binding site may be the physiological receptor. Radiation inactivation of the Ins(1,4,5)P3-binding sites of liver and cerebellum reveals that they have similar molecular target sizes: 257 +/- 36 kDa in liver and 258 +/- 20 kDa in cerebellum. We conclude that an Ins(1,4,5)P3-binding protein with a molecular target size of about 260 kDa is probably the receptor that mediates Ca2+ mobilization in hepatocytes, and our limited data provide no evidence to distinguish this from the cerebellar Ins(1,4,5)P3-binding protein.
Effect of Dielectric Material Films on Crystallization Characteristics of Ge2Sb2Te5 Phase-Change Memory Film (2007)

Reduction of the film thickness of phase-change film and the adoption of GeN- or ZrO2-based dielectric films are both effective in achieving good thermal stability in phase-change optical disks. It was experimentally confirmed that, at a heating rate of 10 °C/min, the crystallization temperature Tx of the Ge2Sb2Te5 amorphous film when sandwiched by ZnS–SiO2 films markedly increases from 162 to 197 °C, while the thickness of the Ge2Sb2Te5 film decreases from 10 to 3 nm. Tx also slightly increases when ZnS–SiO2 films are substituted for GeN-based films (from 162 to 165 °C) and ZrO2-based films (from 162 to 167 °C). At the same time, the activation energy of crystallization is 2.4 eV for both GeN- and ZrO2-based films, and is higher than 2.2 eV for ZnS–SiO2 films.
Characteristics of nucleotide-converting enzymes at muscle surfaces with special reference to ion sensitivity (1968)

Spectral analyses in the ultraviolet range, paper chromatography, and determinations of the release of inorganic phosphate were used to extend the investigation of the surface enzymes (frog muscle) which catalyze the conversion of ATP→ADP→AMP→IMP. ATPase and 5′-AMP deaminase appear to adhere firmly to the muscle cell surface, even after three successive incubation periods of 4 h each, whereas the adenylate kinase is more loosely bound. The observed loss of the activity of the complete enzyme system with time was shown to be due to a suboptimal substrate concentration and not to the accumulation of products of the reaction. The AMP deaminase activity was inhibited if sodium and potassium chloride were replaced by choline chloride in the incubation media. Cation analyses of media and the determination in muscle of Na, K, water, and the sorbitol- 14 C space permitted a calculation of the actual intra- and extra-cellular cation concentrations. In choline-containing media the intracellular potassium was in part replaced by choline. The data indicated that the deaminase was influenced by the external, not the internal, cation concentrations. Magnesium ions stimulated the inorganic phosphate release catalyzed by ATPase and adenylate kinase but inhibited the AMP deaminase. Intact frog muscle also converted GTP, CTP, UTP, and ITP in the medium to the corresponding nucleoside monophosphate.
Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations (2000)

The adsorption of formic acid and sodium formate on the stoichiometric anatase (101) surface has been studied by means of density functional calculations with a slab geometry. On the clean surface, the most stable adsorption structure for HCOOH is a molecular monodentate configuration, hydrogen bonded to a surface bridging oxygen, while for HCOONa a dissociated bridging bidentate geometry is preferred. The bidentate chelating structure is energetically unstable for both the acid and the salt. On the hydrated surface, both HCOOH and HCOONa preferentially form an inner-sphere adsorption complex. HCOOH maintains a monodentate coordination, but, due to the interaction with a nearby water molecule, it becomes dissociated, while HCOONa again prefers a bridging bidentate structure. The energies for adsorption from an aqueous solution are estimated to be 0.30 and 0.79 eV for HCOOH and HCOONa, respectively.
Interleukin-5 Plays a Key Role in Mouse Strain- Dependent Susceptibility to Contact Hypersensitivity through Its Effects on Initiator B Cells (2013)

BALB/c mice exhibit higher susceptibility to hapten-induced contact hypersensitivity than C57BL/6 mice, most likely because they have a higher number of B-1 cells, leading to massive production of hapten-specific IgM antibodies upon contact sensitization. The differences in the number of B-1 cells and IgM responses between the two strains of mice may be attributed to the difference in responsiveness of B-1 cells to IL-5.