gebhart/patrepeval huggingface dataset:
Ab Initio Study of Stability and Site-Specific Oxygen Adsorption Energies of Pt Nanoparticles (2009)

We have employed ab initio calculations based on density functional theory in order to study stability and oxygen adsorption energies of Pt nanoparticles. For particles with sizes up to 200 atoms and various geometric shapes, we have explored the dependence of cohesive energies on atomic coordination number and on lattice strain effects. A simple empirical relation, which is consistent with the well-known Gibbs−Thomson relation, represents the cohesive energy over the range of considered sizes and shapes. For hemispherical cuboctahedral particles with 37 and 92 atoms, we have generated contour plots of the adsorption energy of atomic oxygen on all nanofacets. These plots furnish the known trend of strongly enhanced oxygen adsorption energies in comparison to extended surfaces. We found that the interplay of geometric effects, involving the periodic arrangement of surface atoms and edge effects on nanofacets, causes the high site-selectivity of Pt−oxygen interaction energies, with the largest adsorption energies found at the edges. Particle relaxation upon oxygen adsorption exhibits a significant influence on adsorption energies. The presented results provide a map of the peculiar site-selectivity of adsorption at Pt nanoparticles, which should be accounted for in building detailed models of reaction mechanisms and reactivity.
Effect of 1,25-(OH)2D3 on jejunal absorption of magnesium in patients with chronic renal disease (1980)

These studies were performed to see if jejunal malabsorption of magnesium in patients with chronic renal disease was influenced by therapy with 1 alpha, 25-dihydroxyvitamin D3 [1,25-(OH)2D3; 2 microgram/day by mouth for 7 days]. This treatment restored normal serum concentrations of the vitamin D metabolite from 0.9 +/- 0.2 to 4.2 +/- 0.6 ng/dl. Jejunal absorption of magnesium, measured by a triple-lumen constant-perfusion technique, was enhanced in each of the seven patients by this therapy. The mean value rose from 0.04 +/- 0.02 to 0.13 +/- 0.02 mmol . 30 cm-1 . h-1. This last value is similar to the magnesium absorption rate in untreated normal subjects. These results demonstrate that magnesium absorption in the human jejunum is dependent on vitamin D, and they show that 1 alpha,25-dihydroxyvitamin D3 therapy in patients with chronic renal failure is associated with an enhanced jejunal absorption of magnesium.
Selecting and Sliding Hidden Objects in 3D Desktop Environments (2019)

Selecting and positioning objects in 3D space are fundamental tasks in 3D user interfaces. We present two new techniques to improve 3D selection and positioning. We first augment 3D user interfaces with a new technique that enables users to select objects that are hidden from the current viewpoint. This layer-based technique for selecting hidden objects works for arbitrary objects and scenes. We then also extend a mouse-based sliding technique to work even if the manipulated object is hidden behind other objects, by making the manipulated object always fully visible through a transparency mask during drag-and-drop positioning. Our user study shows that with the new techniques, users can easily select hidden objects and that sliding with transparency performs faster than the common 3D widgets technique.
The aldol reaction of silyl enol ethers within a micro reactor (2001)

We have demonstrated the use of silyl enol ethers in the aldol reaction within a micro reactor. Quantitative conversion of the silyl enol ether to a beta-hydroxyketone was observed in a 20 min period compared to traditional batch systems, where quantitative yields were only obtained when extended reaction times of 24 h were employed.
Actively mode-locked GaInAsP laser with subpicosecond output (1988)

We actively mode lock a high-frequency GaInAsP laser at a rate of 16 GHz to obtain nearly transform-limited hyperbolic secant pulses with a pulse width of 0.58 ps. This is the shortest pulse width yet demonstrated for either passively or actively mode-locked semiconductor lasers.
Interfaces in Al<SUB>18</SUB>B<SUB>4</SUB>O<SUB>33</SUB>/Al, Mg Alloy Composites (1999)

Al18B4O33 whisker reinforced Al, Mg alloy composites were prepared by a squeeze casting process. The interaction among the interface structure, heat stability and strength of the composites was analyzed. In the pure Al matrix composite, the interfacial reaction occurred only at a temperature higher than 750°C and its reaction products are γ-Al2O3. Interfaces between the whisker and reaction products have a preferred orientation with little mismatch. In the AC8A matrix composite, MgAl2O4 with a spinel structure was produced at the interface at a temperature higher than 500°C. These reaction products were shaped rectangularly. These reactions lead to the corrosion and shortening of the whiskers. It causes the degradation of the bending strength of the composites. In the AZ91D matrix composites, the reaction products are MgAl2O4 layers with a uniform thickness. This layer prevents the direct reaction between the whisker and the matrix. Consequently the whiskers are scarcely damaged and the composites have a good bending strength at high temperature.
Peritransplant Injury to the Myocardium Associated with the Development of Accelerated Arteriosclerosis in Heart Transplant Recipients (1994)

Accelerated arteriosclerosis is now the major long-term complication of heart transplantation. Defining the risk factors associated with the development of accelerated arteriosclerosis will provide not only a means of identifying patients at risk for this complication but also clues to the etiology of accelerated arteriosclerosis. The purpose of this study was to examine the relationship between peritransplant myocardial ischemic injury and the development of accelerated arteriosclerosis. In a case-control study we examined the first three endomyocardial biopsies from 50 heart transplant recipients and graded the degree of ischemic injury present in these biopsies. The histologic changes graded in the biopsies included contraction band necrosis, coagulative necrosis, and macrophagic removal of ischemically injured myocytes. Of the 50 recipients included in the study, 25 had angiographic evidence of accelerated arteriosclerosis and 25 did not. In multivariate analysis, which included the number of class I major histocompatibility (MHC) antigen mismatches between the donor and the recipient, the recipient's post-transplant cytomegalovirus status, the donor's age, and the number of rejection episodes, the histologic degree of ischemic injury present in the biopsies emerged as the strongest predictor of the development of accelerated arteriosclerosis (RR 2.6, 95% CI 1.2-5.8, p = 0.02). These results suggest that ischemic injury to the heart during the peritransplant period significantly contributes to the development of accelerated arteriosclerosis in heart transplant recipients and that histologic changes in early posttransplant biopsies can be used to identify recipients at risk of developing accelerated arteriosclerosis.
[A FRAX model for the assessment of fracture probability in Belgium]. (2009)

The objective of this study was to evaluate a Belgian version of the WHO fracture risk assessment (FRAX) tool to compute 10-year probabilities of osteoporotic fracture in men and women. A particular aim was to determine fracture probabilities that corresponded to the reimbursement policy for the management of osteoporosis in Belgium and the clinical scenarios that gave equivalent fracture probabilities. Fracture probabilities were computed from published data on the fracture and death hazards in Belgium. Probabilities took account of age, sex, the presence of clinical risk factors and femoral neck BMD. Fracture probabilities were determined that were equivalent to intervention (reimbursement) thresholds currently used in Belgium. Fracture probability increased with age, lower BMI, decreasing BMD T-Score, and all clinical risk factors used alone or combined. The FRAX tool has been used to identify possible thresholds for therapeutic intervention in Belgium, based on equivalence of risk with current guidelines. The FRAX model supports a shift from the current DXA based intervention strategy, towards a strategy based on fracture probability of a major osteoporotic fracture that in turn may improve identification of patients at increased fracture risk. The approach will need to be supported by health economic analyses.
Relationship of the Renin-Angiotensin System and Systemic Arterial Pressure to Sodium Excretion During Atrial Natriuretic Peptide Infusion in Men (1992)

The goal of this study was to evaluate the relative contribution of the renin-angiotensin system and mean arterial pressure to sodium excretion and urine flow rate during an infusion of atrial natriuretic peptide (ANP) at physiologically relevant doses in humans. Eight normal volunteers were studied during five periods: (1) baseline in the supine position; (2) during an infusion of ANP at physiologic doses (0.01 micrograms/kg/min) in the supine position; (3) during ANP infusion and 60 degrees head-up tilt; (4) during ANP infusion, head-up tilt, and interruption of the renin-angiotensin axis with the angiotensin converting enzyme inhibitor (ACEI) enalaprilat; and (5) in the supine position during ANP infusion and ACEI. Infusion of ANP in the supine posture significantly increased urine flow rate and sodium excretion compared to baseline while mean arterial pressure and plasma renin activity were unchanged. During head-up tilt and ANP infusion, urine flow rate and sodium excretion were no longer significantly elevated over baseline while mean arterial pressure decreased and plasma angiotensin II levels increased. Addition of ACEI caused a marked diminution of urine flow rate and sodium excretion compared to baseline levels despite continued ANP infusion. Although mean arterial pressure after ACEI administration was lower than baseline, it was not significantly different from the non-ACEI head-up tilt state. Placing subjects in the supine position during ANP infusion and ACEI administration increased mean arterial pressure to levels that were no longer different from baseline, but urine flow rate and sodium excretion remained significantly depressed to the same degree as during head-up tilt with ACEI.(ABSTRACT TRUNCATED AT 250 WORDS)
Ip Interpretation In Environmental Investigations (2000)

IP measurements are sensitive to the low-frequency capacitive properties of rocks and soils,&lt;br&gt;which are controlled by diffusion polarization mechanisms operating at the grain-fluid interface.&lt;br&gt;Standard IP interpretation utilizes the conventional field IP parameters: chargeability, percentage&lt;br&gt;frequency effect and phase angle. These parameters are dependent upon both surface polarization&lt;br&gt;mechanisms and volumetric conduction mechanisms. Consequently, they afford a poor&lt;br&gt;quantification of surface polarization processes of interest to the field geophysicist. A parameter&lt;br&gt;that better quantifies the magnitude of surface polarization is the normalized chargeability,&lt;br&gt;defined here as the chargeability divided by the resistivity magnitude. This parameter is&lt;br&gt;proportional to the quadrature conductivity measured in the complex resistivity method.&lt;br&gt;Laboratory and field experiments were performed to determine the dependence of the standard&lt;br&gt;IP parameters and the normalized chargeability on two important environmental parameters:&lt;br&gt;salinity and clay content. The laboratory experiments illustrate that the chargeability is strongly&lt;br&gt;correlated with the sample resistivity, which is primarily a function of the bulk rock properties&lt;br&gt;(i.e., salinity, porosity, and saturation). The normalized chargeability is shown to be independent&lt;br&gt;of the sample resistivity and it is proportional to the quadrature conductivity, which is directly&lt;br&gt;related to the surface polarization processes.
Hematological and Cardiometabolic Safety of Clozapine in the Treatment of Very Early Onset Schizophrenia: A Retrospective Chart Review (2013)

It appears that clozapine use in very early onset schizophrenia is safe. Although hematological adverse effects did occur in our study, the rates were not much higher than those seen in the control group. We found that the hematological abnormalities in the CTG were mostly transient, and that treatment with clozapine can be safely continued or renewed.
Field assisted simultaneous synthesis and transfer FASST<sup>&#x00AE;</sup> method used in conjunction with liquid precursors to produce CIGS solar cells (2010)

Field assisted simultaneous synthesis and transfer FASST method is used in conjunction with liquid precursors to produce CIGS solar cells. Performance of CIGS cells using liquid precursors is on par with the performance of cells produced from PVD precursors. The FASST process has yielded up to 14% efficiency devices.
Driving Experience and the Effect of Challenging Interactions in High Traffic Context. (2004)

This paper focuses on exploring the emotional experience of driving and aims to identify some of the aspects that may influence this experience. The paper presents an exploratory study focusing on the driver’s experience during interaction with the vehicle interface while driving. The study is based on a data triangulation approach including interviews, observation, and think-aloud protocol. Preliminary analysis of the study provided encouraging indicative findings, identifying aspects of design that enhance and/or detract from the driving experience. Previous analysis suggests that context and situation have a dominant impact on the driving experience. Further analysis has shown that challenges with the interface under particular conditions, within high traffic contexts, can bring about positive emotional experiences for drivers. The paper concludes with implications of the findings to future design of driving interfaces and outlines further study directions.
ChemInform Abstract: AN ENANTIOSELECTIVE β‐LACTAM SYNTHESIS STARTING FROM L‐(S)‐GLYCERALDEHYDE ACETONIDE (1984)

Abstract Das aus L‐(S)‐Glycerinaldehyd zugängliche Aldimin (I) reagiert mit dem Acetylchlorid (II) zunächst zu dem Azetidinon (III) (Reaktionsmechanismus), welches nach Abspaltung der Phthalimidschutzgruppe in das Amin (IV) übergeht.
Investigation of a four layer DOI detector combined with laser processed boundaries (2014)

Depth of interaction detector is essential to achieve high spatial resolution and high sensitivity. Our group has developed an isotropic 3D detector, X'tal cube. For the crystal block, a laser processing was applied to a monolithic crystal to generate laser-processed boundaries (LPBs) inside the crystal block. The LPB is expected to give appropriate photon scattering effect as well as reduction of assembling steps compared with gluing small pieces of crystals. In this paper, we introduced the LPB to our former 4-layer DOI detector based on the reflector control, which projects 3D positions of interaction crystal to a 2D position histogram of the Anger-type calculation. The key point of proposed detector are that we set photo detectors at only one side and applied LPBs to crystals. To investigate features of four layer DOI detector combined with LPBs, we compared three conditions for the gaps between crystals in the 2 × 2 array: the air, the room temperature vulcanizing (RTV) rubber and the LPB. In the LPB case, actual crystal size was 4 mm × 4 mm × 5 mm, and the 2 × 2 segmentations were made by the laser processing. For these three patterns, we carried out both experiments and simulations. Almost all crystal responses were separated in the proposed detector with the LPB, although separation was not clearer than results with the other conditions because responses corresponded to the 2 × 2 crystal array had a tendency to get together. On the other hand, clusters can be discriminated clearer at detector edge.
Effective Hard-Sphere Repulsions between Oleate-Capped Colloidal Metal Oxide Nanocrystals (2022)

Nanocrystal interactions in solvent influence colloidal stability and dictate self-assembly outcomes. Small-angle X-ray scattering is used to study how dilute oleate-capped In<sub>2</sub>O<sub>3</sub> nanocrystals with 7-19 nm core diameters interact when dispersed in a series of nonpolar solvents. Osmotic second virial coefficient analysis finds toluene-dispersed nanocrystals in this size range interact like effective hard spheres with diameters comprising the inorganic core and a ligand-solvent corona with a core-size independent thickness. Hard-sphere-like structure factors are similarly observed for nanocrystals with a 9.7 nm core diameter dispersed in all the solvents investigated. Nanocrystal hydrodynamic diameters from dynamic light scattering measurements correlate with thermodynamic diameters obtained from the osmotic second virial coefficient analysis for all samples. The ability to prepare nanoscale building blocks of different sizes, and dispersed in a variety of solvents, with effective hard-sphere repulsions provides a foundation for assembly, where secondary linking or depletant molecules can be deliberately added to customize interactions to form superstructures such as gel networks or superlattices.
ChemInform Abstract: New High Yield Syntheses of Cyclams Using the Crab‐Like Cyclization Reaction. (1990)

Abstract The diamines (I) react with chloroacetyl chloride (II) to form the bis‐amides (III) which are cyclized with the diamines (IV), producing the macrocyclic bisamides (V).
Amos II User's Manual Amos II Beta Release 5 (2004)

This working document describes details of how to use the AMOS II system. In particular it describes the syntax and semantics of the AMOSQL language and the various system functions available. You are recommended to read the document AMOS II Concepts first which describes the principles of the AMOS II system and gives an overview of the AMOSQL concepts. This manual is continously updated as AMOS II evolves; the subtitle refers to the current system release.
Telescope: Characterization of the retrotranscriptome by accurate estimation of transposable element expression (2018)

Abstract Characterization of Human Endogenous Retrovirus (HERV) expression within the transcriptomic landscape using RNA-seq is complicated by uncertainty in fragment assignment because of sequence similarity. We present Telescope, a computational software tool that provides accurate estimation of transposable element expression (retrotranscriptome) resolved to specific genomic locations. Telescope directly addresses uncertainty in fragment assignment by reassigning ambiguously mapped fragments to the most probable source transcript as determined within a Bayesian statistical model. We demonstrate the utility of our approach through single locus analysis of HERV expression in 13 ENCODE cell types. When examined at this resolution, we find that the magnitude and breadth of the retrotranscriptome can be vastly different among cell types. Furthermore, our approach is robust to differences in sequencing technology, and demonstrates that the retrotranscriptome has potential to be used for cell type identification. Telescope performs highly accurate quantification of the retrotranscriptomic landscape in RNA-seq experiments, revealing a differential complexity in the transposable element biology of complex systems not previously observed. Telescope is available at github.com/mlbendall/telescope. Author Summary Almost half of the human genome is composed of Transposable elements (TEs), but their contribution to the transcriptome, their cell-type specific expression patterns, and their role in disease remains poorly understood. Recent studies have found many elements to be actively expressed and involved in key cellular processes. For example, human endogenous retroviruses (HERVs) are reported to be involved in human embryonic stem cell differentiation. Discovering which exact HERVs are differentially expressed in RNA-seq data would be a major advance in understanding such processes. However, because HERVs have a high level of sequence similarity it is hard to identify which exact HERV is differentially expressed. To solve this problem, we developed a computer program which addressed uncertainty in fragment assignment by reassigning ambiguously mapped fragments to the most probable source transcript as determined within a Bayesian statistical model. We call this program, “Telescope”. We then used Telescope to identify HERV expression in 13 well-studied cell types from the ENCODE consortium and found that different cell types could be characterized by enrichment for different HERV families, and for locus specific expression. We also showed that Telescope performed better than other methods currently used to determine TE expression. The use of this computational tool to examine new and existing RNA-seq data sets may lead to new understanding of the roles of TEs in health and disease.
Printed Array of Thin-Dielectric MOM Tunneling Diodes (2011)

A large area array of metal-oxide-metal (MOM) tunneling diodes with an ultrathin dielectric (∼3.6 nm aluminum oxide) have been fabricated via a transfer-printing process. The MOM diodes exhibit an excellent tunneling behavior that is suitable for rectifying high-frequency ac current into direct current (dc). Direct tunneling and Fowler-Nordheim tunneling have been observed over eight orders of magnitude in current density. The ratio between forward and reverse current is as large as two orders of magnitude. Simulations have been carried out to extract the static device parameters and have confirmed the existence of a dipole layer at the aluminum/aluminum oxide interface of the printed tunneling diodes.Capacitancemeasurements have shown that the permittivity of the ultrathin aluminum oxide film is smaller than that of bulk aluminum oxide. The mechanical yield of the transfer-printing process is better than 80%, confirming that transfer printing is a promising candidate for the efficient fabrication of quantum devices over large areas.
Advanced Configurations for Very Large Subsonic Transport Airplanes (1996)

Recent aerospace industry interest in developing a subsonic commercial transport airplane with 50 percent greater passenger capacity than the largest existing aircraft in this category (the Boeing 747-400 with approximately 400-450 seats) has generated a range of proposals based largely on the configuration paradigm established nearly 50 years ago with the Boeing B-47 bomber. While this basic configuration paradigm has come to dominate subsonic commercial airplane development since the advent of the Boeing 707/Douglas DC-8 in the mid-1950's, its extrapolation to the size required to carry more than 600-700 passengers raises several questions. To explore these and a number of related issues, a team of Boeing, university, and NASA engineers was formed under the auspices of the NASA Advanced Concepts Program. The results of a Research Analysis focused on a large, unconventional transport airplane configuration for which Boeing has applied for a patent are the subject of this report. It should be noted here that this study has been conducted independently of the Boeing New Large Airplane (NLA) program, and with the exception of some generic analysis tools which may be common to this effort and the NLA (as will be described later), no explicit Boeing NLA data other than that published in the open literature has been used in the conduct of the study reported here.
Study on LED degradation using CL, EBIC and a two-diode parameter extraction model (1999)

LED degradation was investigated using cathodoluminescence (CL), electron-beam-induced current (EBIC) and device parameter extraction using a two-diode model. After electrical stress, the nonradiative recombination current increases, and the electroluminescence (EL) intensity at constant current bias decreases. The average EBIC and CL intensities also decrease. There is a good correlation between CL, EL and EBIC measurements. The two-diode model can reasonably model the LED degradation behaviour.