gebhart/patrepeval huggingface dataset:
Modeling SWCNT Bandgap and Effective Mass Variation Using a Monte Carlo Approach (2009)

Synthesizing single-walled carbon nanotubes (SWCNTs) with accurate structural control has been widely acknowledged as an exceedingly complex task culminating in the realization of CNT devices with uncertain electronic behavior. In this paper, we apply a statistical approach in predicting the SWCNT bandgap and effective mass variation for typical uncertainties associated with the geometrical structure. This is first carried out by proposing a simulation-efficient analytical model that evaluates the bandgap (Eg) of an isolated SWCNT with a specified diameter (d) and chirality (¿). Similarly, we develop an SWCNT effective mass model, which is applicable to CNTs of any chirality and diameters >1 nm. A Monte Carlo method is later adopted to simulate the bandgap and effective mass variation for a selection of structural parameter distributions. As a result, we establish analytical expressions that separately specify the bandgap and effective mass variability (Eg <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">¿</sub> , m <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">¿</sub> <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">*</sup> ) with respect to the CNT mean diameter (d <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">¿</sub> ) and standard deviation (d <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">¿</sub> ). These expressions offer insight from a theoretical perspective on the optimization of diameter-related process parameters with the aim of suppressing bandgap and effective mass variation.
Does Inhalation Injury Limit Exercise Endurance in Children Convalescing from Thermal Injury? (1993)

The cardiopulmonary performance levels in children who are convalescing from thermal injury are unknown. This investigation was designed to evaluate cardiopulmonary function in children with and without inhalation injury. Forty children with a mean time since burn injury of 2.6 +/- 1.9 years and a mean burn size of 44% +/- 22% total body surface area were selected for the study and divided into two groups: inhalation injury (group 1) and non-inhalation injury (group 2). Pulmonary function studies and cardiopulmonary stress testing were completed on all patients. Both groups reached the same endurance level on the treadmill; however, patients in group 1 did so with an increased expired volume, respiratory rate, and ratio of dead space ventilation to total ventilation which indicated that there were greater demands on the respiratory system. Spirometry and lung volumes at rest showed that 64% of patients in group 1 had abnormal lung function compared with only 27% of patients in group 2.
Conception et performances électrochimiques de matériaux nanostructurés pour piles à combustible à oxyde solide (2006)

Une solution pour limiter les pertes ohmiques résultant de la réduction de la température de fonctionnement des SOFC consiste à élaborer des matériaux d'électrolyte sous forme de couches minces. Dans ce contexte, des couches ultraminces de YSZ et de CGO ont été synthétisées séparément ou sous la forme d'un électrolyte bicouche par dépôt de couches atomiques (ALD) et par pulvérisation cathodique magnétron en condition réactive sur des substrats conducteurs électroniques denses ou poreux. Le dépôt chimique en solution (CBD) a aussi été envisagé comme une technique de dépôt moins onéreuse pour CGO. Les films déposés ont été caractérisés par plusieurs techniques physico-chimiques (microscopie électronique à balayage, diffraction des rayons X, spectrométrie de rayons X à dispersion d'énergie), puis leurs propriétés électriques ont été étudiées par spectroscopie d'impédance. La complexité de l'étude du comportement électrique des couches minces par cette technique a été soulignée. Ces caractérisations ont permis de mettre en évidence et de comparer les principales caractéristiques de ces méthodes d'élaboration et de montrer l'influence du choix de la technique de dépôt sur le comportement électrique des couches minces. Enfin, une étude préliminaire a été menée sur l'élaboration par ALD et les caractérisations physico-chimiques et électriques de couche minces d'oxyde zirconium dopé à l'oxyde d'indium (IDZ).
Hydrate Cold Restarts: Paradigm Shifts in Hydrate Management (2015)

Abstract The traditional method of managing hydrates in production systems has been complete avoidance. This methodology comes at a high cost of insulation to maintain fluid temperature beyond the hydrate formation temperature and/or chemicals to prevent hydrates from forming. This paper will present methods to assess hydrate formation/plugging tendencies and manage the system in a manner that allows for reduction in insulation requirements and/or chemical usage. ExxonMobil's Upstream Research Company (EMURC) has developed a unique hydrate slurry model based on experience gained in the laboratory and field applications. Cold restarts are different than allowing fluids to remain cold indefinitely (i.e. cold flow) in that the hydrates form for a period of time before the system eventually comes out of the hydrate formation region in "steady-state/normal" production. This presentation will show how the model is used to assess hydrate blockage potentials by integration with a transient multiphase flow simulator. This enables the model to predict amounts of hydrates that form and couple the formation with flow dynamics such as shear conditions, phase fractions, and dispersion characteristics which influence the probability of a hydrate blockage forming. The model has been applied successfully to several applications by assessing various cold restart strategies in which significant cost savings have been realized through the reduction of insulation requirement and/or chemical usage – in some instances it has allowed for the extension of field life.
Genetics studies in incomplete müllerian fusion. (1984)

No formal genetic studies of incomplete müllerian fusion anomalies have been conducted previously, despite several reports of familial aggregates. Accordingly, the authors sought to determine the frequency with which symptomatic müllerian fusion anomalies occurred in relatives of a small but genetically unbiased sample of 24 probands. Only one of 37 (2.7%) female sibs over age 16 appeared to have a symptomatic uterine anomaly; none of 24 mothers, none of 45 maternal aunts, and none of 50 paternal aunts appeared affected. Such a low frequency of affected relatives is more consistent with polygenic/multifactorial etiology than with other genetic etiologies.
Influence of Electronic and Structural Effects on the Oxidative Behavior of Nickel Porphyrins (2002)

With the aim of better understanding the electronic and structural factors which govern electron-transfer processes in porphyrins, the electrochemistry of 29 nickel(II) porphyrins has been examined in dichloromethane containing either 0.1 M tetra-n-butylammonium perchlorate (TBAP) or tetra-n-butylammonium hexafluorophosphate (TBAPF(6)) as supporting electrolyte. Half-wave potentials for the first oxidation and first reduction are only weakly dependent on the supporting electrolyte, but E(1/2) for the second oxidation varies considerably with the type of supporting electrolyte. E(1/2) values for the first reduction to give a porphyrin pi-anion radical are effected in large part by the electronic properties of the porphyrin macrocycle substituents, while half-wave potentials for the first oxidation to give a pi-cation radical are affected by the substituents as well as by nonplanar deformations of the porphyrin macrocycle. The potential difference between the first and second oxidations (Delta/Ox(2) - Ox(1)/) is highly variable among the 29 investigated compounds and ranges from 0 mV (two overlapped oxidations) to 460 mV depending on the macrocycle substituents and the anion of the supporting electrolyte. The magnitude of Delta/Ox(2) - Ox(1)/ is generally smaller for compounds with very electron-withdrawing substituents and when TBAP is used as the supporting electrolyte. This behavior is best explained in terms of differences in the binding strengths of anions from the supporting electrolyte (ClO(4)(-) or PF(6)(-)) to the doubly oxidized species. A closer analysis suggests two factors which are important in modulating Delta/Ox(2) - Ox(1)/ and thus the binding affinity of the anion to the porphyrin dication. One is the type of pi-cation radical (a proxy for the charge distribution in the dication), and the other is the conformation of the porphyrin macrocycle (either planar or nonplanar). These findings imply that the redox behavior of porphyrins can be selectively tuned to display separate or overlapped oxidation processes.
Local collaborative ranking (2014)

Personalized recommendation systems are used in a wide variety of applications such as electronic commerce, social networks, web search, and more. Collaborative filtering approaches to recommendation systems typically assume that the rating matrix (e.g., movie ratings by viewers) is low-rank. In this paper, we examine an alternative approach in which the rating matrix is locally low-rank. Concretely, we assume that the rating matrix is low-rank within certain neighborhoods of the metric space defined by (user, item) pairs. We combine a recent approach for local low-rank approximation based on the Frobenius norm with a general empirical risk minimization for ranking losses. Our experiments indicate that the combination of a mixture of local low-rank matrices each of which was trained to minimize a ranking loss outperforms many of the currently used state-of-the-art recommendation systems. Moreover, our method is easy to parallelize, making it a viable approach for large scale real-world rank-based recommendation systems.
Suppressing Device Variability by Cryogenic Implant for 28-nm Low-Power SoC Applications (2012)

In this letter, we have demonstrated that cryogenic implant in the source and drain formation offers advantages for reducing the threshold voltage mismatch in pMOSFET. A discrete dopant profiling method is used to verify the presence of boron out-diffusion from the drain, which further induces the random dopant fluctuation. Results show that this boron out-diffusion can be greatly reduced in this new process. Two major factors in improving the device variability by cryogenic implant are discussed, i.e., the polysilicon grain size control and the embedded-SiGe dislocation defect reduction during source and drain formation.
Accelerated Experimental Design for Pairwise Comparisons (2019)

Pairwise comparison labels are more informative and less variable than class labels, but generating them poses a challenge: their number grows quadratically in the dataset size. We study a natural experimental design objective, namely, D-optimality, that can be used to identify which $K$ pairwise comparisons to generate. This objective is known to perform well in practice, and is submodular, making the selection approximable via the greedy algorithm. A naïve greedy implementation has $O(N^2d^2K)$ complexity, where $N$ is the dataset size, $d$ is the feature space dimension, and $K$ is the number of generated comparisons. We show that, by exploiting the inherent geometry of the dataset--namely, that it consists of pairwise comparisons--the greedy algorithm's complexity can be reduced to $O(N^2(K+d)+N(dK+d^2) +d^2K).$ We apply the same acceleration also to the so-called lazy greedy algorithm. When combined, the above improvements lead to an execution time of less than 1 hour for a dataset with $10^8$ comparisons; the naïve greedy algorithm on the same dataset would require more than 10 days to terminate.
Antitumor and Other Effects of 24<i>R</i>,25-Dihydroxycholecalciferol in Lewis Lung Carcinoma Causing Abnormal Calcium Metabolism in Tumor-Bearing Mice (1988)

Lewis lung carcinoma was found to cause hypercalcemia in tumor-bearing mice. 24R,25(OH)2D3 (K-DR, prepared by Kureha Chemical Ind.) significantly prolonged the survival time of mice with Lewis lung carcinoma. K-DR exhibited an antimetastatic effect on Lewis lung carcinoma, and also had an analgesic effect in mice with Lewis lung carcinoma.
Preparation of halogenated derivatives of thiazolo[5,4‐<i>d</i>]thiazole<i>via</i>direct electrophilic aromatic substitution (2008)

Abstract magnified image Chlorination and bromination reactions of thiazolo[5,4‐ d ]thiazole led to the generation of its mono‐ and dihalogenated derivatives. These are the first instances of successful direct electrophilic aromatic substitution in the thiazolo[5,4‐ d ]thiazole ring system. X‐ray analysis demonstrates that both 2‐bromothiazolo[5,4‐ d ]‐thiazole and 2,5‐dibromothiazolo[5,4‐ d ]thiazole are planar structures, with strongly manifested π‐stacking in the solid state. Theoretical analysis of the pyridine‐catalyzed halogenation ( MP2/6‐31+G(d) and B3LYP/6‐31+G(d) calculations) reveals that introduction of one halogen actually leads to a slightly enhanced reactivity towards further halogenation. Several halogenation mechanisms have been investigated: 1) The direct C‐halogenation with N‐halopyridine as electrophile; 2) C‐halogenation via intermediate N‐halogenation, and 3) C‐halogenation following an addition ‐ elimination pathway, with intermediate formation of a cyclic halonium ion. The theoretical studies suggest that the direct C‐halogenation is the favored mechanism.
Partitioning of Rhodanese onto GroEL (1998)

The mammalian mitochondrial enzyme, rhodanese, can form stable complexes with the Escherichia coli chaperonin GroEL if it is either refolded from 8 M urea in the presence of chaperonin or is simply added to the chaperonin as the folded conformer at 37 degreesC. In the presence of GroEL, the kinetic profile of the inactivation of native rhodanese followed a single exponential decay. Initially, the inactivation rates showed a dependence on the chaperonin concentration but reached a constant maximum value as the GroEL concentration increased. Over the same time period, in the absence of GroEL, native rhodanese showed only a small decline in activity. The addition of a non-denaturing concentration of urea accelerated the inactivation and partitioning of rhodanese onto GroEL. These results suggest that the GroEL chaperonin may facilitate protein unfolding indirectly by interacting with intermediates that exist in equilibrium with native rhodanese. The activity of GroEL-bound rhodanese can be completely recovered upon addition of GroES and ATP. The reactivation kinetics and commitment rates for GroEL-rhodanese complexes prepared from either unfolded or native rhodanese were identical. However, when rhodanese was allowed to inactivate spontaneously in the absence of GroEL, no recovery of activity was observed upon addition of GroEL, GroES, and ATP. Interestingly, the partitioning of rhodanese and its subsequent inactivation did not occur when native rhodanese and GroEL were incubated under anaerobic conditions. Thus, our results strongly suggest that the inactive intermediate that partitions onto GroEL is the reversibly oxidized form of rhodanese.
Asperlicin, a novel non-peptidal cholecystokinin antagonist from Aspergillus alliaceus. Fermentation, isolation and biological properties. (1985)

The fermentation and isolation of a new, non-peptide cholecystokinin antagonist, asperlicin, produced by Aspergillus alliaceus is described. The potent and specific interaction of asperlicin with cholecystokinin receptors was shown using in vitro biochemical assays.
Linomide inhibits angiogenesis, growth, metastasis, and macrophage infiltration within rat prostatic cancers. (1995)

Linomide, a quinoline-3-carboxamide, has the ability to inhibit the growth of prostatic cancer in vivo but not in vitro (T. Ichikawa et al., Cancer Res., 52: 3022-3028, 1992). The reason for this discrepancy is that linomide inhibits tumor growth not directly but indirectly in vivo via its ability to inhibit the angiogenic response induced within the growing prostatic cancer (J. Vukanovic, et al., Cancer Res., 53: 1833-1837, 1993). Tumor associated macrophages can stimulate angiogenesis via their ability to secrete various cytokines, particularly tumor necrosis factor alpha (TNF-alpha). Treatment of rats with linomide decreases significantly (P < 0.05), by more than 50%, the number of tumor associated macrophages within both locally invasive (i.e., from 20-40 to 10 macrophages/high power field) and highly metastatic primary prostatic cancers (i.e., from 60-70 to 15-37 macrophages/high power field). Monocytes/macrophages isolated from linomide treated rats had a decreased ability to secrete TNF-alpha when challenged in vitro with the bacterial endotoxin, lipopolysaccharide [i.e., 702 +/- 76 (SEM) ng of TNF-alpha/10(5) monocytes/macrophages from control versus 401 +/- 2 ng of TNF-alpha/10(5) monocytes/macrophages from linomide treated rats]. In addition, when rats were treated with linomide and than challenged with lipopolysaccharide in vivo, the resulting elevation in serum TNF-alpha was inhibited by approximately 50% (i.e., 4.56 +/- 1.8 ng/ml of TNF-alpha in control versus 2.9-2.2 ng/ml depending upon the dose of linomide). The ability of linomide to decrease monocyte/macrophage secretion of TNF-alpha is not immediate, however, since the secretion of TNF-alpha induced by lipopolysaccharide challenge of monocytes/macrophages isolated from untreated animals is not decreased by acute (i.e., < 4 h) linomide treatment in vitro. These results demonstrate that the ability of linomide to inhibit the secretion of TNF-alpha by monocytes/macrophages requires either additional time or host factors. To test if natural killer (NK) cells might be one of the additional host factors required for the in vivo abilities of linomide, prostatic cancer bearing rats were treated with appropriate antiserum to deplete NK cells and then tested for their response to linomide treatment. These studies demonstrated that the antitumor, antimetastatic, and antimacrophage effects of linomide were unaffected by NK cell depletion.(ABSTRACT TRUNCATED AT 400 WORDS)
Diagnosis of avascular necrosis of the hip in asymptomatic HIV-infected patients: Clinical correlation of physical examination with magnetic resonance imaging (2002)

Prospective, blinded population studyResults: Ten of the 176 patients were positive for AVN by MRI. Four subjects had unilateral disease and six had bilateral disease. Five hips (1.4%) in four patients were indeterminate. We evaluated physical examination maneuvers both singly and in combination. Tests done singly generally provided a higher degree of specificity (67-92%) but sensitivities were lower (0-50%) with all p-values ≥0.08. Positive predictive values based on physical exam, were <17% and negative predictive values were >90% for any single test. Combining all tests gave a high sensitivity (88%) and negative predictive value (98%), but low specificity (34%) and positive predictive value (6%) with p = 0.10. Only two of 16 hips with positive MRI findings showed no abnormalities when all tests were combinedConclusions: This study establishes the limited usefulness of a detailed physical examination of the hip early in the course of AVN. Patients who test negative on physical exam are unlikely to have AVN positive by MRI. Positive findings on physical examination of the hip may help identify patients who need further evaluation by MRI based on overall clinical suspicion.
Abstract 930: Preclinical characterization of MG516, a novel inhibitor of receptor tyrosine kinases involved in resistance to targeted therapies. (2013)

Abstract Despite breakthroughs in the clinical development of tyrosine kinase inhibitors, challenges remain in overcoming resistance to these molecular targeted therapies. Advances in our understanding of mechanisms of resistance to targeted agents will improve patient outcome. While secondary mutations play a key role, the activation of parallel signaling pathways has been shown to alter the sensitivity to targeted inhibition. Resistance to inhibitors of the EGFR or VEGFR families may occur through the activation of Met, EphA2 and Axl receptor tyrosine kinase pathways, suggesting combined inhibition of these targets as a strategy to prevent resistance to approved EGFR- and VEGFRs -targeted therapies. We have developed a novel multitargeted receptor tyrosine kinase inhibitor, MG516, with nanomolar activities in in vitro enzymatic assays against members of the Eph receptor family, Axl, Met and VEGFR1,2,3. In carcinoma cell lines, MG516 potently inhibits phosphorylation of EphA2, Axl and Met. Inhibition of Met downstream signaling as well as the inhibition of Met-dependent biological endpoints, such as motility and wound healing is also achieved. In human umbilical vein endothelial cells (HUVECs),VEGFR2 activation and VEGF-dependent angiogenesis are blocked. Potent anti-tumor activity is demonstrated across a broad range of human xenograft models including lung, gastric, glioblastoma, colorectal and breast carcinomas. Anti-tumor activity is achieved at oral doses as low as 2.5mg/kg in the absence of overt toxicity, weight loss or myelosuppression. Immunohistochemistry analyses of xenograft tumors after treatment with MG516 reveal a decrease in the proliferation of tumor cells, a decrease in tumor vascularization, pharmacodynamic inhibition of target phosphorylation and decreases in target expression, including EphA2. Consistent with targeting multiple oncogenic pathways simultaneously, the combination of MG516 with EGFR inhibition results in improved tumor growth inhibition. Importantly, in a gastric cancer model exhibiting resistance to sunitinib following prolonged treatment with this agent, MG516 induces tumor regression. Thus, MG516 offers potential for clinical development of a novel therapeutic, by targeting a combination of oncogenic kinases involved in tumor development, progression and resistance to targeted therapies. Citation Format: Normand Beaulieu, Helene Sainte-Croix, Claire Bonfils, Michael Mannion, Stephane Raeppel, Lubo Isakovic, Stephen Claridge, Oscar Saavedra, Franck Raeppel, Arkadii Vaisburg, James Wang, Marielle Fournel, Jeffrey M. Besterman, Christiane R. Maroun. Preclinical characterization of MG516, a novel inhibitor of receptor tyrosine kinases involved in resistance to targeted therapies. [abstract]. In: Proceedings of the 104th Annual Meeting of the American Association for Cancer Research; 2013 Apr 6-10; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2013;73(8 Suppl):Abstract nr 930. doi:10.1158/1538-7445.AM2013-930
Allylamine plasma‐polymerization on PLLA surface evaluation of the biodegradation (2007)

Abstract Biodegradation of poy( L ‐lactide) (PLLA) films and filaments recovered with hydrophilic layer (contact angle $ {\rm{\theta }}_{{\rm{H}}_{\rm{2}} {\rm{O}}} $ = 14°, surface energy γ s = 70.9 mJ m −2 ) from allylamine plasma polymerization was investigated under aerobic conditions in sludge. XPS and FTIR‐ATR analysis of the plasma layer showed 14.4% N and 16.6% O mainly as amide group. Optical microscopy showed much bacteria colonies on treated PLLA surface than on untreated one. Weight loss and oxygen consumption after 65 days were 4–5% and 4 mg h −1 per gram polymer respectively. The fact that biodegradation lag‐phase for treated PLLA was released quicker (7 days) than untreated one (14 days), could be related to the presence of hydrophilic plasma layer that improved swelling‐dissolution of hydrolyzed molecular fragments. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2007