gebhart/patrepeval huggingface dataset:
Kinetic Study on Acrylic Acid Polymerisations in Isopropanol (2021)

The radical polymerisation of acrylic acid is largely concentration dependent and affected by the type of the surrounding solvent. This work investigates reaction rate constants, the activation energy, heat flux and the molecular weight in the industrially relevant synthesis of low molecular mass acrylic acid polymers in 2-propanol. The polymerisations were carried out isothermally in an RC1e calorimeter with inline Raman spectroscopy for monomer concentration monitoring. For a non-neutralised acrylic acid in isopropanol (150 g/L), a monomer reaction order of 1.73 ± 0.15, an activation energy of 58.6 ± 0.8 kJ/mol (0.5 mol% AIBN) and 88.5 ± 1.5 kJ/mol (1.0 mol% AIBN), and a reaction enthalpy of 66.4 ± 4.8 kJ/mol could be shown. This data is in accordance with the literature values for acrylic acid polymerisation in water. In addition, linear correlations between the respective reaction parameters and the molecular weight for customised polymer synthesis in the range from 1.2 to 1.7 × 104 g/mol could be established. In comparison with aqueous acrylic acid polymerisation, it was found that the reaction rate constants in isopropanol were slower by a factor of approximately 10 under similar reaction conditions.
Fluid retention during Arsenic trioxide treatment in acute promyelocytic leukemia (2005)

To the Editor: A 58-year-old man presented 7 years ago with Binet stage II of CLL. Because of rapidly rising lymphocyte count of 46.9 10 9 /L [normal range: (1.5-4.0) 10 9 /L], he was treated with FND (fludarabine, mitoxantrone, dexamethasone), which resulted in recurrent neutropenia [1]. Six weeks after the fourth cycle of chemotherapy, he developed fever of unknown origin. Complete blood count showed hemoglobin 9.1 g/dL, platelets 58 10 9 /L, leucocyte count 7.7 10 9 /L [normal range: (4-11) 10 9 /L]. Differential count showed neutrophils 2.3 10 9 /L [normal range: (2-7.5) 10 9 /L], lymphocytes 5.4 10 9 /L [normal range: (1.5-4) 10 9 /L], and absence of monocytes, eosinophils, and basophils. CD4 count was 0.2 10 9 /L with a reversed CD4/CD8 ratio of 0.45:1. Serum IgG measured 346 mg/dL (normal >819 mg/dL), IgA 14 mg/dL (normal >70 mg/dL), and IgM 13 mg/dL (normal >55 mg/dL). Eight days after admission, he developed painful left thigh swelling. Computed tomography revealed hypodensities at the left rectis femoris, vastus intermedius, and vastus lateralis, which yielded pus on drainage (Fig. Histological examination of tissue adjacent to the abscess revealed abundant Ziehl-Neelsen-positive mycobacteria, and subsequent culture confirmed Mycobacterium tuberculosis.
Three-dimensional structure of human renin. (1985)

A three-dimensional model of human renin has been constructed based on the assumption that the overall folding of the aspartyl proteases is very similar. As a reference, we used penicillopepsin, the structure of which has been reported at a resolution of 1.8 A, and its main chain was traced to build a model of renin. The resulting structure seems to be stable from the hydrophobic and hydrophilic viewpoints. Comparison of the tertiary structure of human renin with that of penicillopepsin and mouse renin suggests the existence of a high structural homology as well as differences in the molecular geometry of the active sites that may influence the substrate specificity. The asparagine side chains in the glycosidation signal of Asn-X-Thr are exposed on the surface. Moreover, the site in human renin that corresponds to the proteolytic cleavage site in mouse renin also appears to be exposed on the surface so as to be easily scissored during the maturation process. The insertions and deletions of amino acid residues were found to arise on the surface, and in some places they occurred in complementary manners. Models of molecular complexes between human renin and renin inhibitor were constructed to understand the interacting modes that indicate how new renin inhibitors develop. Inhibitor-binding sites were directly assigned based on the models of the inhibitor-enzyme complex.
Combining Theoretical and Data-Driven Approaches To Predict Drug Substance Hydrate Formation (2017)

Hydrates represent a very significant fraction of pharmaceutical molecular crystals and can be leveraged to simplify downstream processing for formulations such as wet granulation and hot-melt extrusion. In silico methods to predict hydrate formation can guide experimental screening and evaluate residual risk of selected forms. Both solution mixing thermodynamics and relative propensities of hydrogen bond formation can be used for virtual screening. Our study assessed these techniques for a previously studied set of relatively simple drug compounds (average molecular weight 300) and a new set of more complex AbbVie-pipeline compounds (average molecular weight 550). Although solution thermodynamics have been shown to successfully discriminate hydrate formation for the set of smaller drug molecules, this technique did not provide successful screening for the more complex set of AbbVie compounds tested. A single-differential hydrogen bond propensity (SD-HBP) score, which accounts for only the strongest donor—acceptor pairing in both anhydrate and hydrate forms, also provides little utility. We therefore developed a multidifferential hydrogen bond propensity (MD-HBP) score that considers the competitive effect of multiple donor—acceptor interactions in each form. Additionally, the MD-HBP score utilizes solid-state conformations (estimated here via COSMO-RS theory) to strengthen the data-driven analysis of the solid-state and ensure more accurate description of possible hydrogen bond networks in anhydrate and hydrate solid forms. This quantitative MD-HBP score performed well at differentiating between hydrate-forming and non-hydrate-forming compounds for both sets of compounds; thus, it can be applied more broadly in solid form development.
Ventilator-associated pneumonia. A multivariate analysis (1993)

<h3>Objectives.</h3> —To identify factors associated with the development of ventilator-associated pneumonia (VAP) and to examine the incidence of VAP in different intensive care unit (ICU) populations. <h3>Design.</h3> —An inception cohort study. <h3>Setting.</h3> —Barnes Hospital, St Louis, Mo, an academic tertiary care center. Patients or Other Participants. —A total of 277 consecutive patients required mechanical ventilation for longer than 24 hours from a medical ICU (75 patients), surgical ICU (100 patients), or cardiothoracic ICU (102 patients). <h3>Interventions.</h3> —Prospective patient surveillance and data collection. <h3>Main Outcome Measures.</h3> —Ventilator-associated pneumonia and ICU mortality. <h3>Results.</h3> —Ventilator-associated pneumonia occurred in 43 patients (15.5%). Stepwise logistic regression analysis identified four factors to be independently associated with VAP (<i>P</i>&lt;.05): an organ system failure index of 3 or greater (adjusted odds ratio [AOR]=10.2; 95% confidence interval [CI], 4.5 to 23;<i>P</i>&lt;.001 ); patient age of 60 years or older (AOR=5.1; 95% CI, 1.9 to 14.1; P=.002); prior administration of antibiotics (AOR=3.1; 95% CI, 1.4 to 6.9;<i>P</i>=.004); and supine head positioning during the first 24 hours of mechanical ventilation (AOR=2.9;95%CI,1.3to6.8;<i>P</i>=.013). Ventilator-associated pneumonia occurred more often in cardiothoracic patients (21.6%) compared with medical patients (9.3%) (<i>P</i>=.03). Patients with VAP also had a higher mortality (37.2%) than those without VAP (8.5%) (<i>P</i>&lt;.001 ). An organ system failure index of 3 or greater (AOR=16.1; 95% CI, 6.1 to 42;<i>P</i>&lt;.001), a premorbid lifestyle score of 2orgreater(AOR=3.1;95%CI,1.3to7.3;<i>P</i>=.012), and supine head positioning during the first 24 hours of mechanical ventilation (AOR=3.1; 95% CI, 1.2 to 7.8;<i>P</i>=.016) were independently associated with mortality. <h3>Conclusions.</h3> —These data suggest potential interventions that might affect the incidence of VAP or outcome associated with VAP. Additionally, they indicate that different ICU populations may have different incidences of VAP. (<i>JAMA</i>. 1993;270:1965-1970)
Effectiveness of MPC-friendly Softmax Replacement (2020)

Softmax is widely used in deep learning to map some representation to a probability distribution. As it is based on exp/log functions that are relatively expensive in multi-party computation, Mohassel and Zhang (2017) proposed a simpler replacement based on ReLU to be used in secure computation. However, we could not reproduce the accuracy they reported for training on MNIST with three fully connected layers. Later works (e.g., Wagh et al., 2019 and 2021) used the softmax replacement not for computing the output probability distribution but for approximating the gradient in back-propagation. In this work, we analyze the two uses of the replacement and compare them to softmax, both in terms of accuracy and cost in multi-party computation. We found that the replacement only provides a significant speed-up for a one-layer network while it always reduces accuracy, sometimes significantly. Thus we conclude that its usefulness is limited and one should use the original softmax function instead.
Effect of phagocytosis on receptor distribution and endocytic activity in macrophages (1987)

Phagocytosis requires the internalization of a significant fraction of the plasma membrane and results in the intracellular deposition of large particles. We evaluated the effect of phagocytosis on the cellular distribution of recycling receptors and uptake of ligand to determine whether phagocytosis affects receptor behavior. Phagocytosis of zymosan, latex particles, or IgG-coated red blood cells by rabbit alveolar macrophages did not decrease the number of cell surface receptors for transferrin, alpha 2-macroglobulin X protease complexes, maleylated proteins, or mannosylated proteins. The number of surface receptors for transferrin was also unaltered in J774 cells, a macrophage-like cell line. In both cell types extensive phagocytosis did not affect the rate of receptor-mediated endocytosis or the distribution of receptors between the endosome and the cell surface. However, fluid phase pinocytosis was reduced by phagocytosis. The major reduction appeared to be not in the rate of internalization but rather in the delivery of fluid to the lysosome. These results demonstrate that internalization of a significant amount of the plasma membrane during phagocytosis does not diminish the number of receptors on the cell surface and has no effect on receptor-mediated ligand uptake.
New methods of structure refinement for macromolecular structure determination by NMR (1998)

Recent advances in multidimensional NMR methodology have permitted solution structures of proteins in excess of 250 residues to be solved. In this paper, we discuss several methods of structure refinement that promise to increase the accuracy of macromolecular structures determined by NMR. These methods include the use of a conformational database potential and direct refinement against three-bond coupling constants, secondary 13C shifts, 1H shifts, T1/T2 ratios, and residual dipolar couplings. The latter two measurements provide long range restraints that are not accessible by other solution NMR parameters.
Immunosuppressive properties of electrophoretically "slow" and "fast" form alpha 2-macroglobulin. Effects on cell-mediated cytotoxicity and (allo-) antigen-induced T cell proliferation. (1989)

Lymphokine activated killer cell lysis of K562 cells was inhibited by alpha 2-macroglobulin (alpha 2M), soybean trypsin inhibitor, and alpha 1-proteinase inhibitor. In serum free medium 2 mg/ml alpha 2M suppressed target cell lysis in a 4-h cytotoxic assay with about 40%. Suppression was dose and time dependent. Cytotoxicity was unaffected by alpha 2M concentrations less than 0.25 mg/ml, and by alpha 2M added later than 1.5 h from start of assay. Pre-treatment of effector (but not of target) cells with alpha 2M was even more suppressive than the presence of alpha 2M during assay. Cell-mediated cytotoxicity was not inhibited by alpha 2M treated with methylamine or by various alpha 2M-proteinase complexes. In contrast, alpha 2M-proteinase complex as well as native alpha 2M suppressed the proliferation of Ag-activated T cells. However, methylamine-treated alpha 2M did not inhibit T cell proliferation, and suppression by alpha 2M-proteinase complex was significantly reduced after inhibition of the alpha 2M-bound proteinase. On incubation at 4 degrees C with lymphokine-activated killer cells, alpha 2M reacted with cell associated proteinases and changed from electrophoretically "slow" to "fast" form. Cell associated proteinases bound by alpha 2M showed chymotrypsin- and trypsin-like specificities and their activity surpassed activity caused by cellular leakage and secretion. The present results strongly indicate that alpha 2M mediates immunosuppression in its capacity as a proteinase inhibitor and suggest inhibition of (T)cell surface-associated proteinases as a possible mode of suppression.
Induction of ?1-tubulin gene expression during development and regeneration of the fish central nervous system (1998)

The alpha1- and alpha2-tubulin encoding genes were cloned from a goldfish genomic DNA library. alpha1- and alpha2-tubulin RNA expression was examined in developing and adult retinas. These studies demonstrated increased alpha1-tubulin RNA in presumptive ganglion cells that grow axons early in retinal development and in adult retinal ganglion cells whose optic axons had been damaged. The alpha2-tubulin RNA was undetectable in developing retina and constitutively expressed in adult retinal ganglion cells regardless of optic nerve crush. To determine if these changes in alpha1-tubulin RNA reflected changes in alpha1-tubulin promoter activity, we introduced into zebrafish embryos and adult goldfish retinal explants expression vectors harboring the alpha1-tubulin gene's promoter. These studies showed that the alpha1-tubulin promoter confers a developmentally regulated, neuron-restricted pattern of reporter gene expression in vivo and its activity is increased in adult retinal neurons induced to regenerate their axons. Promoter deletions defined regions of alpha1-tubulin DNA necessary for this pattern of expression. These results suggest that DNA sequences necessary for alpha1-tubulin gene induction during central nervous system development and regeneration are contained within the alpha1-tubulin gene's 5'-flanking DNA and that this promoter will be useful for identifying these elements and their DNA binding proteins.
Computer Simulation of Breast Cancer Screening (1999)

Abstract : Breast cancer will affect approximately 12.5% of the women in the United States, and currently mammographic screening is considered the best way to reduce mortality from this disease through early detection. There is much controversy concerning the most appropriate screening parameters such as starting age, the screening interval, and the stopping age. Long term multi-center clinical trials are the traditional approach to evaluating the efficacy of a medical test such as mammography, however clinical trials are expensive and lengthy. This grant focuses on the use of computer simulation techniques for evaluating the screening efficacy of mammography. Breast cancer growth rates, incidence rates, multiracial population demographics, death rates, breast cancer prognosis factors, breast density considerations, detection versus diameter probabilities, and other pertinent data have been computer fit and incorporated into a breast cancer screening simulator. The simulator is capable of producing many types of results data, including survival curves, tumor size distributions at detection, and years of life saved statistics. We are currently in the process of validating the simulator output with the results from respected clinical trials. Once validated, the screening simulator will be useful for studying ways in which the timing of the mammography examination can be optimized.
BENDING RESPONSE OF CARBON NANOTUBE-BASED POLYMER COMPOSITES AT CRYOGENIC TEMPERATURES (2010)

This work examines the cryogenic bending response of carbon nanotube (CNT)‐based polymer composites through experiments and multiscale simulations. Flexural tests on CNT/polycarbonate composites were performed at cryogenic temperatures. Multiscale analysis was also performed to predict the composite behavior at cryogenic temperatures. The variations of the mechanical response with the interfacial damage state were discussed, and the simulation results were utilized to understand the experimental observations.
Techno-economic Assessment of Processes for the Production of Fuels from H2 and CO2 (2020)

Power-to-Fuel technologies are indispensable for achieving a largely CO2-neutral energy supply in the future. The scientific contribution of this work is to answer the questions how technically mature, energy-intensive, and expensive different Power-to-Fuel concepts are compared to each other. For this purpose, H2-based production processes of eleven different standard-compliant transport fuels were techno-economically compared. The methodological focus is on the homogeneity of the calculations to ensure comparability as well as on the process engineering and design to be able to supply technically and scientifically sound recommendations. The simulation-based and therefore technically robust assessment was carried out using the process simulation software Aspen Plus®. Thus, possibilities in terms of production technologies were revealed, and efficiencies as well as costs were determined. For the process engineering analyses, all required chemical plants have been designed in Aspen Plus®, whereby technically established processes were adapted and missing sub-processes or synthesis routes were fully new developed. This includes, for instance, fully new process concepts for the H2-based synthesis for higher alcohols. Subsequently, all sub-processes of promising synthesis routes based on H2 and CO2 were simulated, evaluated, and compared techno-economically. The comparability of the simulations and calculations is ensured by the strict compliance of identical assumptions and boundary conditions. The simulation models were modularized, a validated physico-chemical model for the description of missing component systems was implemented in Aspen Plus® and all unit operations were designed in detail to determine the process utility demand. The heat integration of the sub-processes or synthesis routes is tied to common utilities of a chemical production location (Verbund site). The products largely meet today’s fuel standards. All designed process concepts have no by-products except water, since even non-recyclable by-products of there actions are converted to synthesis gas using reformers, which can be recycled. Thus, the process concepts are suitable for large-scale use. The sensitivity of the results to the assumptions and boundary conditions was analyzed and assessed. With the holistic picture of Power-to-Fuel concepts and products, this work aims to provide a robust basis for integrating Power-to-Fuel concepts in simulations of future energy systems and energy supply strategies as well as for recommendations regarding the choice of transport fuels for a future at best CO2-neutral mobility.
Correction-Determination of Chromium and Copper on Trimetallic Lithographic Printing Plates (1962)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCorrection-Determination of Chromium and Copper on Trimetallic Lithographic Printing PlatesRubin Shapiro and K ColbergCite this: Anal. Chem. 1962, 34, 7, 747Publication Date (Print):June 1, 1962Publication History Published online17 June 2002Published inissue 1 June 1962https://pubs.acs.org/doi/10.1021/ac60187a600https://doi.org/10.1021/ac60187a600research-articleACS PublicationsRequest reuse permissionsArticle Views8Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Efficient computation of transient responses of frequency-dependent nonlinearly loaded transmission lines (2002)

The authors address the combined time and frequency domain analysis of nonlinearly loaded low-loss transmission lines. They show that a variety of interconnects are characterized by transfer functions, whose impulse responses have a fast initial-time structure and a slow long-time component. A piecewise linear approximation of the transient functions with nonuniform sampling is proposed as an effective method to obtain high accuracy with low computational costs.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
In vitro and in vivo antidiabetic effects of the ethanol extract from Lentinula edodes (Shiitake) (2016)

We examined the expression patterns of glucose transporters (GLUTs) in Caco-2 human colon cancer cells that spontaneously or chemically differentiated into intestinal epithelial cells. RT-PCR analysis demonstrated that the expression of intestinal glucose transporters such as GLUT-1 and -2 was increased by both types of differentiation. We evaluated the inhibitory effects of extracts from Lentinula edodes on glucose transport in intestinal Caco-2 cells induced to differentiate by 5 mM sodium butyrate. The ethanol extract of L. edodes (LEE) at 0.1 mg/ml markedly inhibited glucose intake through the monolayer of differentiated Caco-2 cells; however, neither water nor the 50% (v/v) ethanol extract affected glucose transport through these cells at the same concentration. We also investigated the effects of LEE on plasma glucose levels in mice with hyperglycaemia induced by feeding with a high fat diet (HFD). The results obtained showed that LEE reduced plasma glucose levels by 64.0% in HFD-fed mice.
rf SQUID’s in the nonhysteretic mode: Detailed comparison of theory and experiment (1976)

A simple analytic theory for the operation of rf SQUID’s in the regime where the current I in the superconducting ring is a continuous function of the applied flux (nonhysteretic mode) has been extended to include the effects of screening flux LI, where L is the inductance of the ring. A comparison of calculated results with detailed measurements of the response of a rf SQUID using a toroidal Nb ring containing a Nb point contact shows excellent agreement both in cases when screening flux is significant and when it can be neglected.