gebhart/patrepeval huggingface dataset:
UV‐cured cellulose nanofiber composites with moisture durable oxygen barrier properties (2014)

ABSTRACT Nanocomposites based on 10 to 60 vol % cellulose nanofibers (NFC) in a photopolymerizable hyperbranched acrylate matrix were prepared. Unmodified NFC and NFC chemically modified with a silane coupling agent and with ceric ammonium nitrate for direct polymer grafting from the cellulose surface were used. A homogeneous dispersion of NFC in the matrix was obtained in each case, leading to a marked improvement in oxygen barrier (up to nine times) and thermomechanical properties (storage modulus increased up to seven times). The mechanisms involved in the permeability reduction were investigated, revealing non‐monotonic trends in the evolution of the solubility and diffusion coefficients with NFC content. Most significantly, the inherent moisture sensitivity of the oxygen permeability of the NFC was found to be drastically reduced when it was dispersed in the polymer matrix, particularly after chemical modification, underlining the promise of the present approach for the production of robust, high barrier organic films. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131 , 40604.
Alfven frequency modes at the edge of TFTR plasmas (1995)

An Alfven frequency mode (AFM) is very often seen in TFTR neutral beam heated plasmas as well as in ohmic plasmas. This quasi-coherent mode has so far only been seen on magnetic fluctuation diagnostics (Mirnov coils). A close correlation between the plasma edge density and the mode activity (frequency and amplitude) has been observed, which indicates that the AFM is an edge localized mode with r/a>0.85. No direct impact of this mode on the plasma global performance or on fast ion loss (e.g., the alpha particles in DT experiments) has been observed. This mode is not the conventional TAE (toroidicity induced Alfven eigenmode). The present TAE theory cannot explain this observation. Other possible explanations are discussed
Precision Measurement of theΛb0Baryon Lifetime (2013)

The ratio of the Λb(0) baryon lifetime to that of the B(0) meson is measured using 1.0 fb(-1) of integrated luminosity in 7 TeV center-of-mass energy pp collisions at the LHC. The Λb(0) baryon is observed for the first time in the decay mode Λb(0)→J/ψpK-, while the B(0) meson decay used is the well known B(0)→J/ψπ+ K- mode, where the π+ K- mass is consistent with that of the K(*0)(892) meson. The ratio of lifetimes is measured to be 0.976±0.012±0.006, in agreement with theoretical expectations based on the heavy quark expansion. Using previous determinations of the B(0) meson lifetime, the Λb(0) lifetime is found to be 1.482±0.018±0.012 ps. In both cases, the first uncertainty is statistical and the second systematic.
Introduction aux sciences de l'information : Entropie, compression, chiffrement et correction d'erreurs Ed. 1 (2015)

Les fichiers echanges sur Internet et stockes sur les disques durs contiennent de l’information qui deviendra finalement du texte, des images ou des sons. Mais comment cette information est-elle mesuree et comprimee ? Comment est-elle securisee pour eviter les copies illicites ? Comment est-elle protegee contre les erreurs lors d’une recopie ? Voici les questions auxquelles repond cet ouvrage. Sans equivalent dans la litterature, il presente pour la premiere fois les theories de l’entropie, du codage et de la cryptographie de facon simple, claire et pedagogique. Principalement destine aux etudiants en sciences de premiere annee de Bachelor, il interessera aussi, et plus largement, tous ceux curieux de comprendre la theorie scientifique a la base du traitement de l’information.
New diazadi(and tri)thia‐21‐crown‐7 ethers containing 8‐hydroxyquinoline side arms (2001)

Abstract A series of macrocyclic diazadi(and tri)thiacrown ethers containing two 5‐substituent‐8‐hydroxyquinoline side arms have been synthesized from the corresponding macrocyclic diazadi(and tri)thiacrown ethers. The crown ethers were obtained by reduction of the proper macrocyclic di(and tri)thiadiamides by borane‐tetrahydrofuran or by sodium borohydride‐boron trifluoride ethyl etherate‐tetrahydrofuran. The yields for the reduction of diamides by sodium borohydride‐boron trifluoride ethyl etherate‐tetrahydrofuran were higher than those by borane‐tetrahydrofuran. The following four methods were used to prepare macrocycles bearing two 8‐hydroxyquinoline side arms: (1) Mannich reaction with 8‐hydroxyquinoline; (2) Reductive animation with 8‐hydroxyquinoline‐2‐carboxaldehyde using sodium triacetoxyborohydride as the reducing agent; (3) Cyclization of N,N '‐bis(8‐hydroxyquinolin‐2‐ylmethyl)‐1,2‐bis(2‐aminoethoxy)ethane (38) with bis(α‐chloroamide) 5 ; and ( 4 ) A step‐by‐step process wherein macrocyclic trithiadiamide 11 was reduced by lithium aluminum hydride‐tetrahydrofuran to the cyclic monoamide 36 , which smoothly reacted with 5‐chloro‐8‐hydroxyquinoline to produce monosubstituted‐macrocyclic monoamide 39 .
Inhomogeneous interface dipole effect at the Schottky junctions of PdCrO2 on β-Ga2O3 (2¯01) substrates (2020)

We report the lateral and vertical electrical conduction properties of PdCrO2 thin films grown on insulating Al2O3 (001) and conducting β-Ga2O3(2¯01) substrates. The c-axis oriented PdCrO2 films on the both substrates showed metallic temperature dependence of in-plane resistivity down to 2 K. In PdCrO2/β-Ga2O3 vertical devices, rectifying current density–voltage (J–V) characteristics revealed the formation of a Schottky barrier at the PdCrO2/β-Ga2O3 interface. The Schottky barrier height (SBH) of 1.2–1.8 eV, evaluated by J–V characteristics, is significantly larger than 0.8 eV expected from the usual Mott–Schottky relation based on the electron affinity of β-Ga2O3 (4.0 eV) and the work function of PdCrO2 (4.8 eV) determined by ultraviolet photoelectron spectroscopy. The enhanced SBH at the PdCrO2/β-Ga2O3 interface indicates the existence of interface dipoles, as in the case of PdCoO2/β-Ga2O3. Besides, we observed a large difference of the SBH between the J–V measurements (1.2–1.8 eV) and capacitance measurements (2.0–2.1 eV). While the SBH is definitely enhanced by the interface dipole effect, the level of enhancement at the PdCrO2/β-Ga2O3 interface is rather inhomogeneous, different from that at the PdCoO2/β-Ga2O3. In fact, two typical types of interfaces were found by a high-angle annular dark-field scanning transmission electron microscope, which would be the origin of the inhomogeneous SBH. Further understanding of the interface formation between delafossite oxides and β-Ga2O3(2¯01) will improve the performance of Ga2O3 Schottky junctions as a power diode available at high temperatures.
Substructured multibody molecular dynamics. (2006)

We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.
An Accurate and Affordable Spray Model for Gas Turbine Combustor Design (2000)

The mode of fuel preparation, the method of injection into a combustor and its atomization characteristics have a significant impact on emissions. A simple dilute spray model which assumes sequential droplet heating and vaporization has been implemented in the past within computational fluid dynamics (CFD) codes at GE and has been used extensively for combustion applications. This spray model coupled with an appropriate combustion model makes reasonable predictions of the combustor pattern factor and emissions. In order to improve upon this predictive ability, a more advanced quasi-steady droplet vaporization model has been considered. This approach that accounts for simultaneous droplet heating and vaporization, using an infinite-conductivity model, and is therefore more realistic has been described in an earlier paper (Tolpadi et al., 1999). In the present study, the droplet submodels used for the computation of droplets’ trajectories and vaporization histories have been improved. The transient liquid-phase transport is represented by the conduction-limit and effective-conductivity models, the drag coefficient correlation is modified to account for the effect of droplet vaporization, the variable thermophysical properties of both liquid and gas phases are considered, and the high-pressure effects are included. Validation of this new approach for a single droplet was initially performed. Subsequently, calculations of the flow and temperature field were conducted and emissions (NOx, CO and UHC) were predicted for a modern single annular turbofan engine combustor using all the aforementioned droplet modeling approaches.
Exploiting Multi-User Diversity for Uplink Throughput in IEEE 802.11 WLANs (2013)

In multi-rate 802.11 networks, stations with better uplink conditions should access the shared channel more frequently than the ones with worse uplink conditions to enhance the aggregated throughput, which is referred to as multi-user diversity. In this letter, we propose Adaptive Basic Rate Set (ABRS) that uses the time gap between DIFS and EIFS for a prioritized channel access while minimizing starvation. ABRS requires the change in the firmware only at access points with no modification to the standard. Simulation results reveal that ABRS effectively prioritizes stations with higher bit rates; the aggregate uplink throughput is improved up to about 30-70% even in mobility scenarios.
Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integratedin Silico/in VitroWork Flow (2013)

Full agonists to the peroxisome proliferator-activated receptor (PPAR)γ, such as Rosiglitazone, have been associated with a series of undesired side effects, such as weight gain, fluid retention, cardiac hypertrophy, and hepatotoxicity. Nevertheless, PPARγ is involved in the expression of genes that control glucose and lipid metabolism and is an important target for drugs against type 2 diabetes, dyslipidemia, atherosclerosis, and cardiovascular disease. In an effort to identify novel PPARγ ligands with an improved pharmacological profile, emphasis has shifted to selective ligands with partial agonist binding properties. Toward this end we applied an integrated in silico/in vitro workflow, based on pharmacophore- and structure-based virtual screening of the ZINC library, coupled with competitive binding and transactivation assays, and adipocyte differentiation and gene expression studies. Hit compound 9 was identified as the most potent ligand (IC50 = 0.3 μM) and a relatively poor inducer of adipocyte differentiation. The binding mode of compound 9 was confirmed by molecular dynamics simulation, and the calculated free energy of binding was -8.4 kcal/mol. A novel functional group, the carbonitrile group, was identified to be a key substituent in the ligand-protein interactions. Further studies on the transcriptional regulation properties of compound 9 revealed a gene regulatory profile that was to a large extent unique, however functionally closer to that of a partial agonist.
Design analysis for optimal calibration of diffusivity in reactive multilayers (2017)

Calibration of the uncertain Arrhenius diffusion parameters for quantifying mixing rates in Zr–Al nanolaminate foils have been previously performed in a Bayesian setting [M. Vohra, J. Winokur, K.R. Overdeep, P. Marcello, T.P. Weihs, and O.M. Knio, Development of a reduced model of formation reactions in Zr–Al nanolaminates, J. Appl. Phys. 116(23) (2014): Article No. 233501]. The parameters were inferred in a low-temperature, homogeneous ignition regime, and a high-temperature self-propagating reaction regime. In this work, we extend the analysis to determine optimal experimental designs that would provide the best data for inference. We employ a rigorous framework that quantifies the expected information gain in an experiment, and find the optimal design conditions using Monte Carlo techniques, sparse quadrature, and polynomial chaos surrogates. For the low-temperature regime, we find the optimal foil heating rate and pulse duration, and confirm through simulation that the optimal design indeed leads to sharp posterior distributions of the diffusion parameters. For the high-temperature regime, we demonstrate the potential for increasing the expected information gain concerning the posteriors by increasing the sample size and reducing the uncertainty in measurements. Moreover, posterior marginals are also obtained to verify favourable experimental scenarios.
A Practical and Stereospecific Approach to the Synthesis of 3′-Deoxy-2′,3′-didehydrothymidine (D4T) (1992)

Abstract Starting with D-glucose, 5-t-butyldimethylsilyl-3-deoxy-D-arabinose (5) was prepared. Condensation of 5 with cyanamide followed by reaction of the resulting oxazoline 6 with methyl-2-formylpropionate furnished the anhydronucleoside 7. t-Butoxide elimination of 7 gave the target compound in moderate yields due to concomitant 1′,2′-double bond formation. However, phenylselenolate and phenylthiolate opened 7 regiospecifically to the corresponding seleno and thio compounds, 10 and 11, respectively. Oxidative elimination of 10 and the pivaloyl derivative 12 gave 5′-t-butyldimethylsilyl (8) and 5′-pivaloyl (13) D4T in excellent yield.
Electrosynthesised Metal (Ni, Fe, Co) Oxide Films on Single‐Walled Carbon Nanotube Platforms and Their Supercapacitance in Acidic and Neutral pH Media (2011)

Abstract Supercapacitive properties of Single‐walled carbon nanotubes/metal oxides nanocomposites (SWCNT‐MO where M=Ni, Fe, Co) have been described. The SWCNT‐MO nanocomposites was confirmed with SEM, EDX and XPS techniques. Supercapacitive properties of the modified electrodes in H 2 SO 4 and Na 2 SO 4 electrolytes was investigated using cyclic voltammetry (CV), galvanostatic constant current charge‐discharge (CD) and the electrochemical impedance spectroscopy (EIS) techniques. SWCNT‐NiO nanocomposite modified electrodes gave better supercapacitive performance with a specific capacitance of 186 mF cm −2 (or 928 F g −1 ). This value compared quite favourably and even higher than values hitherto reported in several literature.
The force density in electrical machines modeled as tension and pressure gradients of magnetic field lines (2023)

This paper shows how to model the force density in electrical machines based on the field lines of the magnetic flux density. The force density is written as two vector components: the magnetic tension force and the magnetic pressure gradient force. This approach has been applied in physics but never to forces in engineering problems. The magnetic tension force acts to straighten bent field lines, based on the curvature of the flux density. The magnetic pressure gradient force acts from regions of high flux density to regions of low flux density. Both force densities are derived from the Lorentz force using the tnb-frame of Frenet–Serret formulas and shown to be equivalent to the divergence of the Maxwell stress tensor. It is shown how the force density could describe the forces in a synchronous machine, including both the angular torque of the load and the radial forces between the rotor and the stator. It could also be linked to the power flow and thereby to the energy flux of Poynting’s vector. The force densities could be used to improve the understanding of the Maxwell stress tensor, since they are easier to illustrate as vectors compared to the matrix form of the Maxwell stress tensor. It also shows the location of the force density, which could improve the use of enclosing volumes when calculating the force based on the divergence theorem with the Maxwell stress tensor.
Genetic predisposition to myeloproliferative neoplasms implicates hematopoietic stem cell biology (2019)

Myeloproliferative neoplasms (MPNs) are blood cancers characterized by excessive production of mature myeloid cells that result from the acquisition of somatic driver mutations in hematopoietic stem cells (HSCs) 1 . While substantial progress has been made to define the causal somatic mutation profile for MPNs 2 , epidemiologic studies indicate a significant heritable component for the disease that is among the highest known for all cancers 3 . However, only a limited set of genetic risk loci have been identified, and the underlying biological mechanisms leading to MPN acquisition remain unexplained. Here, to define the inherited risk profile, we conducted the largest genome-wide association study of MPNs to date (978,913 individuals with 3,224 cases) and identified 14 genome-wide significant loci, as well as a polygenic signature that increases the odds for disease acquisition by nearly 3-fold between the top and median deciles. Interestingly, we find a shared genetic architecture between MPN risk and several hematopoietic traits spanning distinct lineages, as well as an association between increased MPN risk and longer leukocyte telomere length, collectively implicating HSC function and self-renewal. Strikingly, we find a significant enrichment for risk variants mapping to accessible chromatin in HSCs compared with other hematopoietic populations. Finally, gene mapping identifies modulators of HSC biology and targeted variant-to-function analyses suggest likely roles for CHEK2 and GFI1B in altering HSC function to confer disease risk. Overall, we demonstrate the power of human genetic studies to illuminate a previously unappreciated mechanism for MPN risk through modulation of HSC function.
The Immunity Regulator BAK1 Contributes to Resistance Against Diverse RNA Viruses (2013)

The plant's innate immune system detects potential biotic threats through recognition of microbe-associated molecular patterns (MAMPs) or danger-associated molecular patterns (DAMPs) by pattern recognition receptors (PRR). A central regulator of pattern-triggered immunity (PTI) is the BRI1-associated kinase 1 (BAK1), which undergoes complex formation with PRR upon ligand binding. Although viral patterns inducing PTI are well known from animal systems, nothing similar has been reported for plants. Rather, antiviral defense in plants is thought to be mediated by post-transcriptional gene silencing of viral RNA or through effector-triggered immunity, i.e., recognition of virus-specific effectors by resistance proteins. Nevertheless, infection by compatible viruses can also lead to the induction of defense gene expression, indicating that plants may also recognize viruses through PTI. Here, we show that PTI, or at least the presence of the regulator BAK1, is important for antiviral defense of Arabidopsis plants. Arabidopsis bak1 mutants show increased susceptibility to three different RNA viruses during compatible interactions. Furthermore, crude viral extracts but not purified virions induce several PTI marker responses in a BAK1-dependent manner. Overall, we conclude that BAK1-dependent PTI contributes to antiviral resistance in plants.
CRISPathBrick: Modular Combinatorial Assembly of Type II-A CRISPR Arrays for dCas9-Mediated Multiplex Transcriptional Repression in E. coli (2015)

Programmable control over an addressable global regulator would enable simultaneous repression of multiple genes and would have tremendous impact on the field of synthetic biology. It has recently been established that CRISPR/Cas systems can be engineered to repress gene transcription at nearly any desired location in a sequence-specific manner, but there remain only a handful of applications described to date. In this work, we report development of a vector possessing a CRISPathBrick feature, enabling rapid modular assembly of natural type II-A CRISPR arrays capable of simultaneously repressing multiple target genes in Escherichia coli. Iterative incorporation of spacers into this CRISPathBrick feature facilitates the combinatorial construction of arrays, from a small number of DNA parts, which can be utilized to generate a suite of complex phenotypes corresponding to an encoded genetic program. We show that CRISPathBrick can be used to tune expression of plasmid-based genes and repress chromosomal targets in probiotic, virulent, and commonly engineered E. coli strains. Furthermore, we describe development of pCRISPReporter, a fluorescent reporter plasmid utilized to quantify dCas9-mediated repression from endogenous promoters. Finally, we demonstrate that dCas9-mediated repression can be harnessed to assess the effect of downregulating both novel and computationally predicted metabolic engineering targets, improving the yield of a heterologous phytochemical through repression of endogenous genes. These tools provide a platform for rapid evaluation of multiplex metabolic engineering interventions.
3D Visualization of Pose Determination: Application to SPECT Imaging (1992)

Pose determination of 3D objects is a topic of active research, particularly in the area of medical imaging. The determination of the pose or orientation of a 3D object in a 3D dataset can be viewed as a two-fold problem: 1) The determination of the orientation of the object; and 2) the visualization of the object along with the determined orientation of the object. An attempt has been made to compute and visualize the orientation of left ventricle (LV) of the heart from SPECT data. A semi-automatic technique to first filter the acquired SPECT data and then compute the 3D orientation of the LV is under development. Volume visualization techniques have been employed to better visualize and comprehend the structure and orientation of the LV.
Electric Potential Profiles in a Model Single-Path Electrodialysis Unit (2022)

Electrodialysis is an important electromembrane separation process anticipated to play a significant role in developing future technologies. It produces ion-depleted and ion-concentrated product streams, intrinsically suggesting the formation of spatial gradients of relevant quantities. These quantities affect local conditions in an electrodialysis unit. To investigate the spatial distribution of electric potentials, we constructed a model electrodialysis system with a single diluate channel that included ports for inserting reference electrodes measuring potential profiles. We validated our system and measurement methods in a series of control experiments under a solution flow rate of 250 µL/min and current densities between 10 and 52 A/m<sup>2</sup>. The collected data showed that the electric potential in the diluate channel did not change in the vertical direction (direction of gravity force), and only minimally varied in the diluate channel center in the flow direction. Although we could not reconstruct the potential profile within ion-depleted layers due to the resolution of the method, we found appreciable potential variation across the diluate channel. The most significant potential drops were localized on the membranes with the developed ion-depleted zones. Interestingly, these potential drops abruptly increased when we applied current loads, yielding almost complete desalination. The increase in the resistance accompanied by relatively large fluctuations in the measured potential indicated the system transition into limiting and overlimiting regions, and the onset of overlimiting convection.