gebhart/patrepeval huggingface dataset:
Alternatives for Cyclopentadienyl Ligands in Organoyttrium Chemistry:  Bis(N,O-bis(tert-butyl)(alkoxydimethylsilyl)amido)yttrium Compounds (1997)

Reaction of YCl3·THF3.5 with 2 equiv of [Me2Si(NCMe3)(OCMe3)]Li produces [Me2Si(NCMe3)(OCMe3)]2Y(μ-Cl)2Li·THF2 (1), which easily loses LiCl to give [Me2Si(NCMe3)(OMe3)]2YCl·THF (2). Salt metathesis of 2 with LiBH4, LiOAr (OAr = O-2,6-(CMe3)2C6H3), NaN(SiMe3)2, and LiCH(SiMe3)2 gives the corresponding yttrium bis((alkoxysilyl)amido) derivatives, [Me2Si(NCMe3)(OCMe3)]2YR (R = BH4·THF (3), OAr (4), N(SiMe3)2 (5), CH(SiMe3)2 (6)). The alkyl compound 6 reacts with H2 in THF to give an unstable hydride {[Me2Si(NCMe3)(OCMe3)]2Y(μ-H)}2 (7), which was identified by 1H NMR as a symmetric dimer in solution. Isolation of the hydride 7 appeared not to be possible; the disproportionation product, [Me2Si(NCMe3)(OCMe3)]3Y (8), was obtained instead. With HC≡CR, 6 undergoes protolysis of both the alkyl and the (alkoxysilyl)amido ligands to yield {Y(μ-C≡CR)3}n for R = SiMe3 (9) and CMe3 (10). In contrast, polymerization to polyphenylacetylene was observed for R = Ph. Compound 6 reacts with N≡CMe with metalation of the methyl group under proton transfer to the alkyl ligand to give CH2(SiMe3)2. Insertion of another N≡CMe into the new Y−C bond and 1,3-H shift produces {[Me2Si(NCMe3)(OCMe3)]2Y(μ(N,N‘)-NHCMeCHC≡N)}2 (11). The molecular structures of 6 and 11 show that the bis(N,O-bis(tert-butyl)(alkoxydimethylsilyl)amido) ligand system is slightly more bulky than the bis(pentamethylcyclopentadienyl) ligand set in compounds Cp*2YR. A ROHF INDO/1 semiempirical molecular orbital study on a stripped and symmetrized model of 6, [H2Si(NH)(OH)]2YCH3, shows that the electronic properties of the bis((alkoxysilyl)amido) ligand system are quite different from those of [C5H5]2YCH3 but compare well with those of the bis(benzamidinato) analogue [HC(NH)2]2YCH3. The (alkoxysilyl)amido ligand binds dominantly through a strong, ionic Y−N bond, while the ether function coordinates only weakly. Like in the bis(benzamidinato)yttrium system, the (alkoxysilyl)amido and the alkyl ligands accumulate negative charge, resulting in essentially ionic compounds. This high ionicity makes the compounds have little tendency to engage in σ-bond metathesis reactions and (catalytic) insertion chemistry. Because of the absence of charge delocalization within the (alkoxysilyl)amido ligands, these behave as strong Brønsted bases and compete successfully with the Y−C bond in C−H bond activation reactions.
LA THÉRAPIE MANUELLE ORTHOPÉDIQUE : définition, caractéristiques et mise au point sur la situation en Belgique (2017)

Bien que la thérapie manuelle orthopédique (TMO) existe depuis des décennies et qu’un récent arrêté royal belge reconnaissant cette discipline comme une qualification professionnelle particulière en kinésithérapie pour la prise en charge des troubles neuro-musculo-squelettiques ait été publié en 2014, la TMO demeure méconnue des patients, mais également du monde médical. Pourtant, cette discipline, basée sur un raisonnement clinique, utilisant des approches thérapeutiques hautement spécifiques guidées par les meilleures évidences scientifiques et cliniques disponibles ainsi que par la spécificité biopsychosociale propre à chaque patient, fait l’objet d’un nombre croissant d’études scientifiques mettant en évidence son intérêt. Cet article vise à synthétiser les connaissances relatives à la TMO (sa définition, son historique, ses caractéristiques, ses techniques, ses indications, son accès et son remboursement, ainsi que son enseignement) en décrivant la situation en Belgique
Maximum-likelihood estimation of 3D event position in monolithic scintillation crystals: Experimental results (2007)

We present a simple 3D event position-estimation method using raw list-mode acquisition and maximum-likelihood estimation in a modular gamma camera with a thick (25mm) monolithic scintillation crystal. This method involves measuring 2D calibration scans with a well-collimated 511 keV source and fitting each point to a simple depth-dependent light distribution model. Preliminary results show that angled collimated beams appear properly reconstructed.
Effect of Hydrogen on Silicon Nitrides Formation by Microwave Excited Plasma Enhanced Chemical Vapor Deposition (2015)

The gas composition is one of the most important parameters for reducing process temperature of the plasma enhanced chemical vapor deposition. We investigate the effect of the gas flow rate of SiH 4 , H 2 , and N 2 on the quality and the deposition rate of the silicon nitride films (SiN x ) formed by the microwave excited PECVD. The SiH 4 flow rate is most important parameter for controlling the deposition rate and the film quality in the PECVD using N 2 , H 2 , SiH 4 gasses. The deposition rate strongly depends on the SiH 4 flow rate; however the film quality was degraded with the increase of the flow rate. The hydrogen has an optimum flow rate for the high deposition rate and high quality film formation. The hydrogen effectively dissociates the SiH 4 gas and makes the nitridation species (NH x ), as the result, the optimal hydrogen improves the reaction efficiency of SiH 4 and NH x .
Long-lived long-distance photochemically induced spin-polarized charge separation in β,β′-pyrrolic fused ferrocene-porphyrin-fullerene systems (2011)

The exceptionally long lived charge separation previously observed in a β,β′-pyrrolic-fused ferrocene-porphyrin-fullerene triad (lifetime 630 μs) and related porphyrin-fullerene dyad (lifetime 260 μs) is attributed to the production of triplet charge-separated states. Such molecular excited-state spin polarization maintained over distances of up to 23 Å is unprecedented and offers many technological applications. Electronic absorption and emission spectra, femtosecond and nanosecond time-resolved transient absorption spectra, and cyclic voltammograms of two triads and four dyads are measured and analyzed to yield rate constants, donor–acceptor couplings, free-energy changes, and reorganization energies for charge-separation and charge-recombination processes. Production of long-lived intramolecular triplet states is confirmed by electron-paramagnetic resonance spectra at 77–223 K, as is retention of spin polarization in π-conjugated ferrocenium ions. The observed rate constants were either first predicted (singlet manifold) or later confirmed (triplet manifold) by a priori semiclassical kinetics calculations for all conceivable photochemical processes, parameterized using density-functional theory and complete-active-space self-consistent-field calculations. Identified are both a ps-timescale process attributed to singlet recombination and a μs-timescale process attributed to triplet recombination.
Hydrolysis of Acetals in Water under Hydrothermal Conditions. (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
PPT Research at AFRL: Material Probes to Measure the Magnetic Field Distribution in a Pulsed Plasma Thruster (1998)

Abstract : The focus of the PPT basic research program at AFRL has now shifted to understanding the sources of the low energy efficiency. Based on previous research modifications such as changing the electrode geometry, discharge frequency, and discharge energy may all result in moderate increases to the energy efficiency. What is required from a basic research standpoint is a diagnostic capability that can acquire information with sufficient accuracy to enable PPT designers to understand why certain influences increase performance - and then design PPTs which maximize these effects. To model a fluid description of the PPT plasma, the critical measurements are magnetic field and density. Temperature, composition and charge state also become critical as the models become more detailed. This paper describes a magnetic field probe array used at AFRL to map the magnetic fields in a laboratory model PPT. The paper focuses on determining to what extent the probe perturbs the plasma, the measurement limitations. Also discussed are options towards making this critical measurement with increased accuracy.
Multiple energy scales in mesospin systems: The vertex-frustrated Saint George lattice (2021)

The interplay between topology and energy hierarchy plays a vital role in the collective magnetic order in artificial ferroic systems. Here we investigate, experimentally, the effect of having one or two activation energies of interacting Ising-like magnetic islands---mesospins---in thermalized, vertex-frustrated lattices. The thermally arrested magnetic states of the elements were determined using synchrotron-based magnetic microscopy after cooling the samples from temperatures above the Curie temperature of the material. Statistical analysis of the correlations between mesospins across several length scales reveals changes in the magnetic order, reflecting the amount of ground state plaquettes realized for a vertex-frustrated lattice. We show that the latter depends on the presence, or not, of different activation energies.
Fine control of the porous structure and chromatographic properties of monodisperse macroporous poly(styrene‐co‐divinylbenzene) beads prepared using polymer porogens (1994)

Abstract The porous structure of monodisperse macroporous beads can be controlled by using soluble polymers with well‐defined structural characteristics as part of the porogenic mixture. In general, the use of linear polystyrene as a porogen in the preparation of poly (styrene‐co‐divinylbenzene) beads shifts the pore size distribution towards larger pores. While a direct correlation between pore size and molecular weight of the porogen has been established, the chemical composition of the polymer porogen has no effect on the porous and chromatographic properties of the beads. These findings suggest that the average molar volume of the porogenic system is important while the miscibility of the polymer porogen with the crosslinked polymer that is formed is of little relevance. © 1994 John Wiley &amp; Sons, Inc.
AI-Based Real-Time Site-Wide Optimization for Process Manufacturing (2022)

In this paper, we propose a site-wide lead advisor, which is an artificial intelligence–based prediction and set-point recommendation engine, by combining the use of machine learning with optimization techniques. It provides operational set-point recommendations to continuously improve site-wide operations for throughput measured in additional barrels of oil produced per day. A key contribution and differentiator is the utilization of sensor data to continuously learn the behavior of all the subsystems of an oil-producing plant and use this within an optimization framework to provide advisory control in near real time. This is novel in that it does not require a model of the plant to be provided as input. The predictive model is learned automatically and continuously from data. This work required the development of a new prediction-optimization modeling framework that optimizes throughput while staying in the vicinity of the historical process behavior and employing the model’s structure in designing algorithms to solve it. This solution has been deployed at Suncor Energy, an oil-sands company, since January 2019 and is estimated to generate business value in the order of tens of millions of dollars per year. The generalized approach of this framework lends it the ability to be applied to any processing or manufacturing plant.
Oncogenetic Landscape Of Lymphomagenesis In Coeliac Disease (2020)

ABSTRACT Objective Enteropathy-associated T-cell lymphoma (EATL) is a rare but severe complication of celiac disease (CeD), often preceded by low-grade clonal intraepithelial lymphoproliferation, referred to as type II refractory CeD (RCDII). Knowledge on underlying oncogenic mechanisms remains scarce. Here, we analysed and compared the mutational landscape of RCDII and EATL in order to identify genetic drivers of CeD-associated lymphomagenesis. Design Pure populations of RCDII-cells derived from intestinal biopsies (n=9) or sorted from blood (n=2) were analysed by whole exome sequencing, comparative genomic hybridization and RNA-sequencing. Biopsies from RCDII (n=50), EATL (n=19), type I refractory CeD (n=7) and uncomplicated CeD (n=7) were analysed by targeted next-generation sequencing. Moreover, functional in vitro studies and drug testing were performed in RCDII-derived cell lines. Results 80% of RCDII and 90% of EATL displayed somatic gain-of-functions mutations in the JAK1-STAT3 pathway, including a remarkable p.G1097 hotspot mutation in the JAK1 kinase-domain in approximately 50% of cases. Other recurrent somatic events were deleterious mutations in NFκB-regulators TNFAIP3 and TNIP3 and potentially oncogenic mutations in TET2, KMT2D and DDX3X . JAK1 inhibitors and the proteasome inhibitor bortezomib could block survival and proliferation of malignant RCDII-cell lines. Conclusion Mutations activating the JAK1-STAT3 pathway appear to be the main drivers of CeD-associated lymphomagenesis. In concert with mutations in negative regulators of NFκB, they may favour the clonal emergence of malignant lymphocytes in the cytokine-rich coeliac intestine. The identified mutations are attractive therapeutic targets to treat RCDII and block progression towards EATL.
PVT Properties and Bubble Point Pressures for Compositionally Characterized Commercial Grade Butane, 2-Methylpropane, and Natural Gasoline (1996)

The PVT properties and bubble point pressures for compositionally characterized commercial grade samples of butane, 2-methylpropane, and natural gasoline have been measured using a continuously weighed pycnometer and a vibrating tube densimeter. The results cover the range of pressures from the bubble point to 9.7 MPa in the temperatures range from 255 K to 322 K. Experimental uncertainties are reported for the temperature, pressure, and density measurements. Measurements conducted at Texas A&M University and at Phillips Petroleum Co. agree within the estimated uncertainities of the two experimental methods.
Fabrication and Mechanical Properties of Si3N4 Based Composites with Layer Structure (2008)

Silicon nitrides with a layered structure composed of alternate dense and porous layers were fabricated by a tape-casting and laminating technique. Mechanical properties were evaluated as well. The layered structure with dense layers of 60 μm and porous layers of 40 μm was obtained by adding 70 vol% of β-Si3N4 whisker to the porous layer. This material presented a reasonably low elastic modulus and a relatively high fracture stress, although it incorporated the porous layers with a porosity of 32.9 %.
Feature-Based Three-Dimensional Registration for Repetitive Geometry in Machine Vision (2016)

As an important step in three-dimensional (3D) machine vision, 3D registration is a process of aligning two or multiple 3D point clouds that are collected from different perspectives together into a complete one. The most popular approach to register point clouds is to minimize the difference between these point clouds iteratively by Iterative Closest Point (ICP) algorithm. However, ICP does not work well for repetitive geometries. To solve this problem, a feature-based 3D registration algorithm is proposed to align the point clouds that are generated by vision-based 3D reconstruction. By utilizing texture information of the object and the robustness of image features, 3D correspondences can be retrieved so that the 3D registration of two point clouds is to solve a rigid transformation. The comparison of our method and different ICP algorithms demonstrates that our proposed algorithm is more accurate, efficient and robust for repetitive geometry registration. Moreover, this method can also be used to solve high depth uncertainty problem caused by little camera baseline in vision-based 3D reconstruction.
High-heat-resistant plastic optical fiber (1989)

Plastic optical fiber (POF) is inferior in light transmitting characteristics compared with commercial glass optical fiber (GOF). But POF is more flexible and can have a larger diameter than GOF; thus it is easier to connect and handle. There have been a number of proposals to use POF in sensors, controllers, etc.1 The present POF can withstand temperatures only up to 125°C, which is not enough for use in car engine chambers or close to heating equipment. We have been studying heat-resistant plastic optical fiber (HPOF) and have developed a new HPOF. The core is made from an ester-based thermosetting resin which is molded by casting, and the cladding is made from a fluorine-containing resin. The transmission loss, temperature resistance, and relationship of transmission loss and bending radius were evaluated.
Improved scatter correction using adaptive scatter kernel superposition (2010)

Accurate scatter correction is required to produce high-quality reconstructions of x-ray cone-beam computed tomography (CBCT) scans. This paper describes new scatter kernel superposition (SKS) algorithms for deconvolving scatter from projection data. The algorithms are designed to improve upon the conventional approach whose accuracy is limited by the use of symmetric kernels that characterize the scatter properties of uniform slabs. To model scatter transport in more realistic objects, nonstationary kernels, whose shapes adapt to local thickness variations in the projection data, are proposed. Two methods are introduced: (1) adaptive scatter kernel superposition (ASKS) requiring spatial domain convolutions and (2) fast adaptive scatter kernel superposition (fASKS) where, through a linearity approximation, convolution is efficiently performed in Fourier space. The conventional SKS algorithm, ASKS, and fASKS, were tested with Monte Carlo simulations and with phantom data acquired on a table-top CBCT system matching the Varian On-Board Imager (OBI). All three models accounted for scatter point-spread broadening due to object thickening, object edge effects, detector scatter properties and an anti-scatter grid. Hounsfield unit (HU) errors in reconstructions of a large pelvis phantom with a measured maximum scatter-to-primary ratio over 200% were reduced from -90 ± 58 HU (mean ± standard deviation) with no scatter correction to 53 ± 82 HU with SKS, to 19 ± 25 HU with fASKS and to 13 ± 21 HU with ASKS. HU accuracies and measured contrast were similarly improved in reconstructions of a body-sized elliptical Catphan phantom. The results show that the adaptive SKS methods offer significant advantages over the conventional scatter deconvolution technique.
Purification and Characterization of Glutamyl-tRNA Synthetase from an Extreme Thermophile, Thermus thermophilus HB81 (1984)

Glutamyl-tRNA synthetase has been isolated from an extreme thermophile, Thermus thermophilus HB8. The enzyme has been purified to homogeneity by successive chromatography on columns of DEAE-cellulose, DEAE-Sephacel, phosphocellulose and hydroxyapatite. 11.7 mg of purified enzyme has been obtained from 2 kg of T. thermophilus cells, with a purification factor of 600 with an 11% yield. From gel permeation chromatography and sodium dodecyl sulfate polyacrylamide gel electrophoresis, the enzyme is found to be a monomer protein with a molecular weight of 50,000. The optimum temperature for the aminoacylation of T. thermophilus tRNAGlu is 65 degrees C, and the optimum pH range is 8.0-9.0, in the presence of 5 mM Mg2+. The Km values for ATP, L-glutamate, and T. thermophilus tRNAGlu are 230 microM, 70 microM, and 0.65 microM, respectively, in the presence of 50 mM KCl and 10 mM MgCl2 at pH 8.0 at 65 degrees C. Escherichia coli tRNA2Glu is also a good substrate with a Km value of 0.60 microM at 65 degrees C. The mole fractions of Arg and Leu residues are higher and that of Asx residues is lower than those of E. coli glutamyl-tRNA synthetase. Glutamyl-tRNA synthetase from T. thermophilus is remarkably thermostable; even after incubation for 9 h at 65 degrees C, 70% of the enzyme activity is retained in the absence of any protecting factors. Such an extremely thermostable enzyme with a low molecular weight will be useful for detailed physiochemical analyses on the molecular mechanism of strict recognition by aminoacyl-tRNA synthetases.
Scalable variational inference for super resolution microscopy (2016)

Abstract Super-resolution microscopy methods (e.g. STORM or PALM imaging) have become essential tools in biology, opening up a variety of new questions that were previously inaccessible with standard light microscopy methods. In this paper we develop new Bayesian image processing methods that extend the reach of super-resolution microscopy even further. Our method couples variational inference techniques with a data summarization based on Laplace approximation to ensure computational scalability. Our formulation makes it straightforward to incorporate prior information about the underlying sample to further improve accuracy. The proposed method obtains dramatic resolution improvements over previous methods while retaining computational tractability.
Single versus Double Blind Reviewing at WSDM 2017 (2017)

In this paper we study the implications for conference program committees of using single-blind reviewing, in which committee members are aware of the names and affiliations of paper authors, versus double-blind reviewing, in which this information is not visible to committee members. WSDM 2017, the 10th ACM International ACM Conference on Web Search and Data Mining, performed a controlled experiment in which each paper was reviewed by four committee members. Two of these four reviewers were chosen from a pool of committee members who had access to author information; the other two were chosen from a disjoint pool who did not have access to this information. This information asymmetry persisted through the process of bidding for papers, reviewing papers, and entering scores. Reviewers in the single-blind condition typically bid for 22% fewer papers, and preferentially bid for papers from top institutions. Once papers were allocated to reviewers, single-blind reviewers were significantly more likely than their double-blind counterparts to recommend for acceptance papers from famous authors and top institutions. The estimated odds multipliers are 1.63 for famous authors and 1.58 and 2.10 for top universities and companies respectively, so the result is tangible. For female authors, the associated odds multiplier of 0.78 is not statistically significant in our study. However, a meta-analysis places this value in line with that of other experiments, and in the context of this larger aggregate the gender effect is also statistically significant.
Automatic Detection of Scanned Page Orientation (2019)

With the increasing demand to scan text documents and old books, having a scanner that could automatically detect the orientations of the scanned pages would be greatly beneficial. This paper proposes a fast method to detect orientations based on a support vector machine (SVM), using features developed for each connected component on the scanned page. Results show that the algorithm can achieve an accuracy of 99.2% in orientation detection and 98.2% in script detection for pages scanned at 200 dpi.
Internal Structure Evaluation of Three‐Dimensional Calcium Phosphate Bone Scaffolds: A Micro‐Computed Tomographic Study (2006)

Micro‐computed tomography (μ‐CT) was used to examine the fidelity of three‐dimensional (3D) bioceramic scaffolds made from dicalcium phosphate dihydrate (DCPD) cement. The scaffolds were produced with a multi‐step indirect solid freeform fabrication method. Accuracy and fidelity were examined after each step. The pre‐tracing of the perimeter of a layer in the mold fabrication step caused the round‐off of the square channels from the design. However, the overall shape of the scaffold was not significantly different from the wax mold. There is relatively no change in the strut and the channel‐size measurements between the computer‐generated model and the molds fabricated by 3D printing. The change in volume fraction of DCPD cement scaffolds is higher than biphasic scaffolds due to the internal pores. These results demonstrated that μ‐CT is a very useful tool to analyze and evaluate the internal architectural of the complicated 3D scaffold‐fabrication process.