gebhart/patrepeval huggingface dataset:
Highly stable and porous porphyrin-based zirconium and hafnium phosphonates – electron crystallography as an important tool for structure elucidation (2018)

The Ni-metallated porphyrin-based tetraphosphonic acid (Ni-tetra(4-phosphonophenyl)porphyrin, Ni-H<sub>8</sub>TPPP) was used for the synthesis of highly porous metal phosphonates containing the tetravalent cations Zr<sup>4+</sup> and Hf<sup>4+</sup>. The compounds were thoroughly characterized regarding their sorption properties towards N<sub>2</sub> and H<sub>2</sub>O as well as thermal and chemical stability. During the synthesis optimization the reaction time could be substantially decreased under stirring from 24 to 3 h in glass vials. M-CAU-30, [M<sub>2</sub>(Ni-H<sub>2</sub>TPPP)(OH/F)<sub>2</sub>]·H<sub>2</sub>O (M = Zr, Hf) shows exceptionally high specific surface areas for metal phosphonates of <i>a</i><sub>BET</sub> = 1070 and 1030 m<sup>2</sup> g<sup>-1</sup> for Zr- and Hf-CAU-30, respectively, which are very close/correspond to the theoretical values of 1180 and 1030 m<sup>2</sup> g<sup>-1</sup>. CAU-30 is always obtained as mixtures with one mol ZrO<sub>2</sub>/HfO<sub>2</sub> per formula unit as proven by TEM, electron diffraction, TG and elemental analysis. Hence experimentally derived specific surface areas are 970 and 910 m<sup>2</sup> g<sup>-1</sup>, respectively. M-CAU-30 is chemically stable in the pH range 0 to 12 in HCl/NaOH and thermally up to 420 °C in air as determined by variable-temperature powder X-ray diffraction (VT-PXRD). The crystal structure of M-CAU-30 was determined by combining electron diffraction tomography for structure solution and powder X-ray diffraction data for the structure refinement. The crystal structure consists of chains of corner sharing MO<sub>6</sub> octahedra interconnected by the partly deprotonated linker molecules Ni-H<sub>2</sub>TPPP<sup>6-</sup>. Thus 1D channels with pore diameters of 1.3 × 2.0 nm are formed. The redox activity of Zr-CAU-30 was investigated by cyclic voltammetry resulting in a reversible redox process at a half-wave potential of <i>E</i><sub>1/2</sub> = -0.649 V.
First Principles Calculation Study of the Origin of the Tetragonal Structure of BiCoO3 (2010)

We have investigated the electric state of BiCoO 3 in various crystal and magnetic structures by first-principles calculation method to clarify the origin of the tetragonal structure of BiCoO 3 . The ferroelectric displacement of Co in the tetragonal crystal is larger than that in the rhombohedral one. Because of the large ferroelectric displacement, the energy levels of the Co's d 6 localized electrons are lowered and the crystal tends to be tetragonal. Moreover, we calculated the electric state of BiCo 0.5 Fe 0.5 O 3 , BiCoO 3 –BiFeO 3 solid solution. In this solid solution, the effect of Co's d 6 localized electron is effective and the crystal also tends to be tetragonal.
Assessment of parametrized core correlation schemes in Gaussian-3 theory (2002)

The use of parametrized core correlation equations in Gaussian-3 (G3) theory is assessed on the G2/97 test set. Two parametrized equations for estimating core correlation effects in molecules, one based on bond order and the other on atomic number, are considered in this study. The parameters are obtained by fitting to actual calculated core correlation contributions to atomization energies. Both equations give mean absolute deviations for the G2/97 test set similar to that in original G3 theory. It is also found that use of a fit based on more accurate core correlation values from the CCSD(T) method does not improve the accuracy of G3 theory.
DICTIONARY OF THE ECONOMIC PRODUCTS OF INDIA pages 541 to 541 (2014)

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VIENNA rectifier II-a novel single-stage high-frequency isolated three-phase PWM rectifier system (1999)

Based on an analysis of basic realization possibilities, the structure of the power circuit of a new single-stage three-phase boost-type pulsewidth modulated (PWM) rectifier system (VIENNA Rectifier II) is developed. This system has continuous sinusoidal time behavior of the input currents and high-frequency isolation of the output voltage, which is controlled in a highly dynamic manner. As compared to a conventional two-stage realization, this system has substantially lower complexity and allows the realization of several isolated output circuits with minimum effort. The basic function of the new PWM rectifier system is described based on the conduction states occurring within a pulse period. Furthermore, a straightforward space- vector-oriented method for the system control is proposed which guarantees a symmetric magnetization of the transformer. Also, it makes possible a sinusoidal control of the mains phase currents in phase with the associated phase voltages. By digital simulation, the theoretical considerations are verified and the stresses on the power semiconductors of the new converter system are determined. Finally, results of an experimental analysis of a 2.5-kW laboratory prototype of the system are given, and the direct startup and the short-circuit protection of the converter are discussed. Also, the advantages and disadvantages of the new converter system are compiled in the form of an overview.
A Tool for Capturing Essential Preferences (2016)

For some people, interaction preference settings like large fonts or speech output are essential for technology access. We demonstrate a 'First Discovery Tool' intended as an easy and accessible way for people to discover and set preferences to address major access barriers. The tool is designed to support people who have limited technology experience or confidence. Testing in educational and senior settings found that most participants were able to understand the preferences offered, and some discovered helpful options they were previously not aware of.
Analysis of PTEN/MMAC1 alterations in aerodigestive tract tumors. (1998)

PTEN/MMAC1 is a candidate tumor suppressor gene recently identified at chromosomal band 10q23. It is mutated in sporadic brain, breast, and prostate cancer and in the germ line of patients with hereditary Cowden disease. We searched for genetic alterations of the PTEN/MMAC1 gene in 39 primary head and neck cancers (HNSCCs), 42 primary non-small cell lung cancers (NSCLCs), 80 pancreatic cancer xenografts, and 37 cell lines and xenografts from colon, lung, and gastric cancers. Microsatellite analysis revealed loss of heterozygosity at markers near the gene in 41% of primary HNSCCs, 50% of NSCLCs, and 39% of the pancreatic cancers. Three cases of HNSCCs displayed homozygous deletion involving the gene. We sequenced the entire coding region of the PTEN/MMAC1 gene in the remaining tumors displaying loss of heterozygosity and found one terminating mutation in a HNSCC sample. Thus, a second inactivation event was observed in 4 of 39 primary HNSCC cases. By use of a protein truncation assay, one terminating mutation was also identified in one of eight NSCLC cell lines. Our results suggest that PTEN/MMAC1 gene inactivation plays a role in the genesis of some tumor types.
Supplementary Table 1 from Characterization of <i>TMPRSS2</i>-ETS Gene Aberrations in Androgen-Independent Metastatic Prostate Cancer (2023)

Supplementary Table 1 from Characterization of &lt;i&gt;TMPRSS2&lt;/i&gt;-ETS Gene Aberrations in Androgen-Independent Metastatic Prostate Cancer
DashCam video compression using historical data (2016)

While dashcam videos (DCVs) are used to document unanticipated situations such as accidents, they are often used to create a training set for vehicle detection and vehicle behavior modeling. This requires a substantial volume of stored DCVs. In this paper, we propose a system that effectively compresses these DCVs by taking advantage of existing historical data. First, our video retrieval and alignment preprocessors construct a reference video for a new DCV based on GPS information and ORB (Oriented FAST and Rotated BRIEF) features. The 3D-HEVC encoder jointly compresses these two videos. Our illumination matching algorithm makes the system robust over different illumination conditions. Our system reduces the bit-rate around 30% when tested over 80 sequences and 3 different scenarios: highway, boulevard and downtown.
Guided construction of single cell reference for human and mouse lung (2022)

ABSTRACT Accurate cell type identification is a key and rate-limiting step in single cell data analysis. Single cell references with comprehensive cell types, reproducible and functional validated cell identities, and common nomenclatures are much needed by the research community to optimize automated cell type annotation and facilitate data integration, sharing, and collaboration. In the present study, we developed a novel computational pipeline to utilize the LungMAP CellCards as a dictionary to consolidate single-cell transcriptomic datasets of 104 human lungs and 17 mouse lung samples and constructed “LungMAP CellRef” and “LungMAP CellRef Seed” for both normal human and mouse lungs. “CellRef Seed” has an equivalent prediction power and produces consistent cell annotation as does “CellRef” but improves computational efficiency and simplifies its utilization for fast automated cell type annotation and online visualization. This atlas set incorporates 48 human and 40 mouse well-defined lung cell types catalogued from diverse anatomic locations and developmental time points. Using independent datasets, we demonstrated the utility of our CellRefs for automated cell type annotation analysis of both normal and disease lungs. User-friendly web interfaces were developed to support easy access and maximal utilization of the LungMAP CellRefs. LungMAP CellRefs are freely available to the pulmonary research community through fast interactive web interfaces to facilitate hypothesis generation, research discovery, and identification of cell type alterations in disease conditions.
Cobalt-Catalyzed Hydrosilylation of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Level─How to Control the Catalytic Network? (2021)

The selective hydrosilylation of carbon dioxide (CO<sub>2</sub>) to either the formic acid, formaldehyde, or methanol level using a molecular cobalt(II) triazine complex can be controlled based on reaction parameters such as temperature, CO<sub>2</sub> pressure, and concentration. Here, we rationalize the catalytic mechanism that enables the selective arrival at each product platform. Key reactive intermediates were prepared and spectroscopically characterized, while the catalytic mechanism and the energy profile were analyzed with density functional theory (DFT) methods and microkinetic modeling. It transpired that the stepwise reduction of CO<sub>2</sub> involves three consecutive catalytic cycles, including the same cobalt(I) triazine hydride complex as the active species. The increasing kinetic barriers associated with each reduction step and the competing hydride transfer steps in the three cycles corroborate the strong influence of the catalyst environment on the product selectivity. The fundamental mechanistic insights provide a consistent description of the catalytic system and rationalize, in particular, the experimentally verified opportunity to steer the reaction toward the formaldehyde product as the chemically most challenging reduction level.
A Potential–dependent Thiele Modulus to Quantify the Effectiveness of Porous Electrocatalysts (2021)

Electrochemical reactors often employ high surface area electrocatalysts to accelerate volumetric reaction rates and increase productivity. While electrocatalysts can alleviate kinetic overpotentials, diffusional resistances at the pore-scale often prevent full catalyst utilization. The effect of intraparticle diffusion on the overall reaction rate can be quantified through an effectiveness factor expression governed by the Thiele modulus parameter. This analytical approach is integral to the development of catalytic structures for thermochemical processes and has previously been extended to electrochemical processes by accounting for the relationship between reaction kinetics and electrode overpotential. In this paper, we illustrate the method by deriving the expression for the potential-dependent Thiele modulus and using it to quantify the effectiveness factor for porous electrocatalytic structures. Specifically, we demonstrate the application of this mathematical framework to spherical microparticles as a function of applied overpotential across catalyst properties and reactant characteristics. The relative effects of kinetics and mass transport are related to overall reaction rates, revealing markedly lower catalyst utilization at increasing overpotential. Subsequently, we generalize the analysis to different catalyst shapes and provide guidance on the design of porous catalytic materials for use in electrochemical reactors.
Semisynthesis of Taxol and Taxotere (2021)

By 1988, clinical trials had provided overwhelming evidence of the chemotherapeutic value1,2 of the diterpene Taxol,3 the structure and numbering system of which are shown in Figure 1. Approximately a quarter century had elapsed since the date of the first plant collection and extraction. Although a variety of factors were responsible for this slow development (see Chapter 1), none was more important than the problem of supply of a drug that could be obtained only by extraction of the bark of a relatively small slow-growing tree found in virgin old-growth forests.4,5 When, in early 1989, the NCI sought a pharmaceutical company to continue the development of Taxol and bring it to the marketplace,6 the enormity of the supply issue and the associated politically and socially sensitive environmental concerns stood as the major impediment making most major companies reluctant to embark on such a venture.
FIR Filters with minimum coefficient sensitivity (2005)

The frequency response of a finite-duration impulse response (FIR) filter is degraded by unknown variations in the values of the filter coefficients. If the filter coefficients can only be specified to within a certain percentage accuracy, the solution of a nested optimization problem gives a filter design such that over all possible coefficient variations, the worst frequency response is as good as possible in the Chebyshev sense. The size of the nested optimization problem grows exponentially with the length of the filter. However a tractable optimization problem can be solved whose solution gives a suboptimal filter design that is likely to be nearly as good as the globally optimal solution.
Peak offsetting based CPM controller for multi-level flying capacitor converters (2018)

This paper introduces a practical mixed-signal peak current programmed mode (CPM) controller suitable for emerging low-power dc-dc multi-level flying capacitor (ML-FC) converters. The controller eliminates the inherent instability problem of ML-FC converters associated with flying capacitor voltage runaway. The method is based on separate asymmetrical thresholds defining multiple inductor current peaks within one switching period. The effectiveness of the controller is verified through simulations and with a low-power 12 V to 1.8 V/1A, 3-level ML-FC experimental prototype.
A photomask defect evaluation system (2004)

Photomasks are currently inspected based on the standard of defect size. A shortcoming of this standard is that the type of defects which do not impact on a wafer, could be detected as impermissible defects. All of them are subject to repair works and some of them require further inspection by AIMS. This is one of the factors that are pushing down the yield and the turnaround time (TAT) of mask manufacturing. An effective way to improve this situation will be to do the repair works selectively on the defects that are predicted to inflict a functional damage on a wafer. In this report, we will propose a defect evaluation system named <b>ADRES</b> (Advanced Photomask Defect Repair Evaluation System), featuring a function to extract edges from a mask SEM image to be passed on to a litho-simulation. A distinctive point of our system is the use of a mask SEM image with a high resolution.
Susceptibility to Neutralization by Broadly Neutralizing Antibodies Correlates with Infected Cell Binding for a Panel of Clade B HIV Reactivated from Latent Reservoirs (2018)

Abstract Efforts to HIV cure are obstructed by reservoirs of latently infected CD4 + T-cells that can re-establish viremia. Broadly neutralizing HIV-specific antibodies (bNAbs), defined by unusually high neutralization breadths against globally diverse viruses, may contribute to the elimination of these reservoirs by binding to reactivated cells, targeting them for immune clearance. However, the relationship between neutralization of reservoir isolates and binding to corresponding infected primary CD4 + T-cells has not been determined. Thus, the extent to which neutralization breadths and potencies can be used to infer the corresponding parameters of infected-cell binding is currently unknown. We assessed the breadths and potencies of bNAbs against 36 viruses reactivated from peripheral blood CD4 + T-cells of ARV-treated HIV-infected individuals, using paired neutralization and infected-cell binding assays. Single antibody breadths ranged from 0–64% for neutralization (IC 80 ≤10μg/ml) and 0–89% for binding, with two-antibody combinations reaching 0-83% and 50-100%, respectively. Infected-cell binding correlated with virus neutralization for 10 out of 14 antibodies (e.g. 3BNC117, r=0.87, p&lt;0.0001). Heterogeneity was observed, however, with a lack of significant correlations for 2G12, CAP256.VRC26.25, 2F5, and 4E10. Our results provide guidance on the selection of bNAbs for interventional cure studies; both by providing a direct assessment of intra-and inter-individual variability in neutralization and infected cell binding in a novel cohort, and by defining the relationships between these parameters for a panel of bNAbs. Importance Although anti-retroviral therapies have improved the lives of people who are living with HIV, they do not cure infection. Efforts are being directed towards harnessing the immune system to eliminate the virus that persists, potentially resulting in virus-free remission without medication. HIV-specific antibodies hold promise for such therapies owing to their abilities to both prevent the infection of new cells (neutralization), and also to direct the killing of infected cells. We isolated 36 HIV strains from individuals whose virus was suppressed by medication, and tested 14 different antibodies for neutralization of these viruses and for binding to cells infected with the same viruses (critical for engaging natural killer cells). For both neutralization and infected-cell binding, we observed variation both between individuals, and amongst different viruses within an individual. For most antibodies, neutralization activity correlated with infected cell binding. These data provide guidance on the selection of antibodies for clinical trials.
The Reaction of Acrylonitrile with Macromolecular Hydroxy Substances II—The Production and Uses of Water‐insoluble, Alkali‐soluble Cyanoethyl Cellulose Ethers as Soluble Yarns (1951)

The conditions under which viscose and acrylonitrile react so that cyanoethyl cellulose yarns, which are insoluble in water but soluble in cold weak aqueous solutions of the caustic alkalis and quaternary ammonium hydroxides, can be spun, are outlined; the chemistry of the complex reaction is fully discussed. The usefulness of these cyanoethyl cellulose yarns as soluble reinforcing threads for twistless cotton fabrics and as substitutes for the draw‐thread in the continuous production of children's half and quarter hose composed of cotton and/or viscose rayon yarns is considered. Finally, a very brief account is given of the dyeing of these yarns with direct cotton dyes.
Evolving therapy of hairy cell leukemia (1987)

The rationale for antileukemic therapy in hairy cell leukemia is to reduce the significant risk of infection and other potential serious complications. Corticosteroids have limited value; both corticosteroids and chemotherapy are associated with substantial risks of infection. The mainstay of therapy has been splenectomy. Improvement is seen in 50% to 70% of patients with cytopenias; although the impact of splenectomy on survival has not been clearly demonstrated, prolonged hematologic improvement can occur. Splenectomy presumably alleviates the pancytopenic effect of hypersplenism by removing the preferred site of leukemic cell proliferation. Human interferon represents a major advance in management. Favorable results with natural leukocyte alpha interferon have been confirmed by data with biosynthetic (recombinant) alpha interferon. Importantly, the incidence of infection has been clearly shown to decrease, suggesting improved survival in patients with advanced hairy cell leukemia. Many questions regarding interferon therapy remain unanswered, including optimal dose, optimal duration, and maintenance therapy after maximal response. The mechanism of action is unclear, but possibly interferon modulates as yet unidentified lymphokines or growth factors. In vitro evidence suggests a direct antiproliferative effect of type I interferon on hairy cells. Preliminary data suggest that although toxicity issues, including induction of immunodeficiency and renal insufficiency require further clarification, deoxycoformycin, an adenosine deaminase inhibitor, is also highly effective and holds substantial promise as an important therapeutic modality.
Variance-modeled posterior inference of microarray data: detecting gene-expression changes in 3T3-L1 adipocytes (2004)

We introduce a statistical framework that models the dependence of measurement variance on the level of gene expression in the context of a Bayesian hierarchical model. We compare several methods of parameter estimation and subsequently apply these to determine a set of genes in 3T3-L1 adipocytes that are differentially regulated in response to TZD treatment. When the number of experimental replicates is low (n = 2-3), this approach appears to qualitatively preserve an equivalent degree of specificity, while vastly improving sensitivity over other comparable methods. In addition, the statistical framework developed here can be readily applied to understand the implicit assumptions made in traditional fold-change approaches to array analysis.
Contribution à l'étude du système quinaire Ca++NHH+NOPOH2O. XV. Le système quaternaire HNO3H3PO4NH3H2O à 25° (1955)

Abstract ° Dans le présent mémoire, qui concerne le système quaternaire HNO 3 H 3 PO 4 NH 3 H 2 O à 25°, nous communiquons les résultats de 108 déterminations de solubilité se rapportant à la partie du diagramme délimité par les points figuratifs des composés NH 4 NO 3 , (NH 4 ) 2 HPO 4 et NH 3 .
Application of Atomic Layer Deposition for Gas Permeation Barrier Thin Films (2007)

We determined by a Ca-test with optical modeling that a 25 nm thick Al2O3 film, grown by atomic layer deposition on polyester, reduced the effective water vapor transmission rate to &lt; 10-5 g-H2O/m2-day. This is a reduction of more than 105x compared to the bare polyester. The corresponding diffusion coefficient for water vapor through this film was calculated to be D=2.5x10-17 cm2/s, and the threshold thickness for barrier properties was ~ 5 nm of Al2O3. We further concluded that these values were likely at the lower limit of this Ca-test method, because of edge diffusion of gas through the epoxy seal in the test structure.