gebhart/patrepeval huggingface dataset:
Progress in the Advanced Titanium Microstructure and Modeling Program (2016)

A summary of the final progress achieved in the Advanced Titanium Microstructure Modeling program funded under the Metals Affordability Initiative (MAI) is presented. The goal of this program was to develop computational models that predict location specific microstructure and mechanical properties for wrought titanium alloys through the integration of thermodynamic, crystal plasticity, variant selection, and neural net models into the commercially available finite element software DEFORM. The validation work completed in this program established the ability to model: 1) crystallographic texture (primary alpha, secondary alpha, combined primary plus secondary alpha and beta phases), 2) location specific properties (YS, UTS, %E and RA) using either a neural net or symbolic regression modules and 3) microstructure (primary alpha size, primary alpha volume fraction, secondary alpha size) for Ti-6Al-4V (duplex microstructure form) within the DEFORM FEM framework. Under this program the software demonstrated that it could predict the location specific YS and UTS on all 42 specimens excised from various locations in production components forged by either ATI or PCC and fabricated by Rolls-Royce, GE, Pratt & Whitney and Boeing to within 5% of the measured values.
Modeling Electronic Cooling Axial Fan Flows (2000)

To address the requirement for prediction and understanding of airflow in forced convection cooled electronic systems, a detailed experimental investigation of the outlet flow of typical axial cooling fans has been performed. The flow is shown to be complex over much of the fans operational range, with significant radial and tangential velocities and regions with little or no flow. The effect of partially blocking a fan and running it at elevated temperatures are both shown to be significant. The effect of attaching a fan to an electronic system is then investigated. Flow drawn through a system is shown to be simple and well predicted by a standard CFD package. Flow blown into a system is far more complex, with large areas of recirculating flow, and less accuracy in the prediction. The paper gives valuable and novel design insight into forced cooling flows in electronic systems and shows that the industry is still some way from a reliable design method.
22.5% n-PERT Solar Cells on Epitaxially Grown Silicon Wafers (2016)

This work reports on the fabrication of advanced nPERT (passivated Emitter, Rear Totally diffused) cells by imec on epitaxial wafers from Crystal Solar obtained by direct gas to wafer technology. Crystal Solar has developed a process to grow full-epitaxial monocrystalline wafers of ~180-200μm thick with a limited stacking fault defect density of &lt;1 defect/cm2. The specific growth sequence included the in-situ growth of optimized p+ epitaxial emitter and n-base. EDNA2 simulations were used to determine the total dark saturation current density for these epitaxial emitters based on depth and doping level. Based on this, the experimental doping range of the epitaxial emitter was between 1∙1017 to 5∙1018 cm-3. Imec applied its nPERT process that consisted of a selective n++ Front Surface Field (FSF), Al2O3 emitter passivation and plating sequence suitable to contact lowly doped surfaces. The devices were evaluated using QSS-PL measurements, spectral response, light IV characterization. The potential impact of epitaxial defects on cell performance was examined. The best performance was realized for a device with a lowly doped emitter passivated by ALD Al2O3/PECVD SiOX reaching a Voc of ~700 mV and an independently confirmed top efficiency of 22.5 % (238.9 cm2).
Addition of Acrylamide to Amino Aldehydes to Generate Non-Baylis-Hillman Adducts. Formation of Novel N-Acylhemiaminals (1998)

Abstract Aldol reactions of chiral aminoaldehydes and methylacrylate in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) produces β-hydroxy methylbutenoates which can be utilized as psuedodipeptides. However, reaction of aminoaldehydes with acrylamide in the presence of DABCO afforded the adducts derived from the addition of the acrylamide nitrogen to the aldehyde to generate N-acylhemiaminals. These reactions were found to proceed at a faster rate than the typical Baylis-Hillman reaction and also require the presence of DABCO.
Overall and Adiabatic Effectiveness Values on a Scaled Up, Simulated Gas Turbine Vane (2013)

Recent advances in computational power have made conjugate heat transfer simulations of fully conducting, film cooled turbine components feasible. However, experimental data available with which to validate conjugate heat transfer simulations is limited. This paper presents experimental measurements of external surface temperature on the suction side of a scaled up, fully conducting, cooled gas turbine vane. The experimental model utilizes the matched Bi method, which produces nondimensional surface temperature measurements that are representative of engine conditions. Adiabatic effectiveness values were measured on an identical near adiabatic vane with an identical geometry and cooling configuration. In addition to providing a valuable data set for computational code validation, the data shows the effect of film cooling on the surface temperature of a film cooled part. As expected, in nearly all instances, the addition of film cooling was seen to decrease the overall surface temperature. However, due to the effect of film injection causing early boundary layer transition, film cooling at a high momentum flux ratio was shown to actually increase surface temperature over 0.35 &lt; s/C &lt; 0.45.
Current transformer model with hysteresis for improving the protection response in electrical transmission systems (2014)

In this paper, a generic enhanced protection current transformer (CT) model with saturation effects and transient behavior is presented. The model is used for the purpose of analysis and design of power system protection algorithms. Three major classes of protection CT have been modeled which all take into account the nonlinear inductance with remanence effects. The transient short-circuit currents in power systems are simulated under CT saturation condition. The response of a common power system protection algorithm with respect to robustness to nominal parameter variations and sensitivity against maloperation is demonstrated by simulation studies.
Intensity distribution segmentation in ultrafast Doppler combined with scanning laser confocal microscopy for assessing vascular changes associated with ageing in murine hippocampi (2022)

The hippocampus plays an important role in learning and memory, requiring high-neuronal oxygenation. Understanding the relationship between blood flow and vascular structure-and how it changes with ageing-is physiologically and anatomically relevant. Ultrafast Doppler ([Formula: see text]Doppler) and scanning laser confocal microscopy (SLCM) are powerful imaging modalities that can measure in vivo cerebral blood volume (CBV) and post mortem vascular structure, respectively. Here, we apply both imaging modalities to a cross-sectional and longitudinal study of hippocampi vasculature in wild-type mice brains. We introduce a segmentation of CBV distribution obtained from [Formula: see text]Doppler and show that this mice-independent and mesoscopic measurement is correlated with vessel volume fraction (VVF) distribution obtained from SLCM-e.g., high CBV relates to specific vessel locations with large VVF. Moreover, we find significant changes in CBV distribution and vasculature due to ageing (5 vs. 21 month-old mice), highlighting the sensitivity of our approach. Overall, we are able to associate CBV with vascular structure-and track its longitudinal changes-at the artery-vein, venules, arteriole, and capillary levels. We believe that this combined approach can be a powerful tool for studying other acute (e.g., brain injuries), progressive (e.g., neurodegeneration) or induced pathological changes.
Stable Blue Thermally Activated Delayed Fluorescent Organic Light‐Emitting Diodes with Three Times Longer Lifetime than Phosphorescent Organic Light‐Emitting Diodes (2016)

Adv. Mater. 2015, 15, 2515 In the article originally published, the time scale on the x axis of Figure 1c was incorrect. The corrected version of Figure 1c is found here. As a result of this error, the quoted values of the excited state lifetime values of DCzTrz and DDCzTrz were also incorrect. These are corrected here as 31 μs for DCzTrz and 28 μs for DDCzTrz. The authors apologize for any inconvenience caused.
Enantioselective Formation of Ibuprofen-S-Acyl-Glutathione in Vitro in Incubations of Ibuprofen with Rat Hepatocytes (2008)

Ibuprofen is metabolized to chemically reactive ibuprofen-1- O-acyl-glucuronide (I-1- O-G) and ibuprofen- S-acyl-CoA (I-CoA) derivatives, which are proposed to mediate the formation of drug-protein adducts via the transacylation of protein nucleophiles. We examined the ability of ibuprofen to undergo enantioselective metabolism to ibuprofen- S-acyl-glutathione thioester (I-SG) in incubations with rat hepatocytes, where I-CoA formation is known to be highly enantioselective in favor of the (R)-(-)-ibuprofen isomer. We proposed that potential enantioselective transacylation of glutathione forming I-SG in favor of the (R)-(-)-isomer would reveal the importance of acyl-CoA formation, versus acyl glucuronidation, in the generation of reactive transacylating-type intermediates of the drug. Thus, when (R)-(-)- and (S)-(+)-ibuprofen (100 microM) were incubated with hepatocytes, the presence of I-CoA and I-SG was detected in incubation extracts by LC-MS/MS techniques. The formation of I-CoA and I-SG in hepatocyte incubations with (R)-(-)-ibuprofen was rapid and reached maximum concentrations of 2.6 microM and 1.3 nM, respectively, after 8-10 min of incubation. By contrast, incubations with (S)-(+)-ibuprofen resulted in 8% and 3.9% as much I-CoA and I-SG formation, respectively, compared to that in corresponding incubations with the (R)-(-)-isomer. Experiments with a pseudoracemic mixture of (R)-(-)-[3,3,3-(2)H3]- and (S)-(+)-ibuprofen showed that >99% of the I-SG detected in hepatocyte incubations contained deuterium and therefore was derived primarily from (R)-(-)-ibuprofen bioactivation. Inhibition of (R)-(-)-ibuprofen (10 microM) glucuronidation with (-)-borneol (100 microM) led to a 98% decrease in I-1-O-G formation; however, no decrease in I-SG production was observed. Coincubation with pivalic, valproic, or lauric acid (500 microM each) was shown to lead to a significant inhibition of I-CoA formation and a corresponding decrease in I-SG production. Results from these studies demonstrate that the reactive I-CoA derivative, and not the I-1-O-G metabolite, plays a central role in the transacylation of GSH in incubations with rat hepatocytes.
Algorithms for target prediction for computer users with athetosis (2010)

Athetosis is a movement disorder that afflicts numerous persons with cerebral palsy, resulting in significant problems in their control of computer interfaces. As a step toward increasing the efficiency of icon selection by computer users with athetosis, we have implemented three techniques to reduce the time of target acquisition: transition assistance via directional gain variation based on target prediction during initial movement toward the target, settling assistance via gain reduction when in the vicinity of a predicted target, and expansion of the predicted target as the cursor approaches it. The paper describes each method, and presents results from evaluation of each method using a closed-loop model of a human subject with athetosis, trained using recorded data, at three different severity levels.
Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media (2018)

Twisted intramolecular charge transfer (TICT) chromophores exhibit uniquely large second-order optical nonlinearities ( μβ). However, their promise as electro-optic (E-O) materials is yet untapped, reflecting a strong tendency to aggregate in low-polarity media, leading to a dramatic fall in μβ. Until now, TICT chromophores in deaggregating polar solvents suffered decreased response due to polarity-driven changes in electronic structure. Here we report a new series of benzimidazolium-based TICT chromophores with interaryl torsional angles in the range of 64-77°. The most twisted, B2TMC-2, exhibits a large μβ<sub>vec</sub> = -26,000 × 10<sup>-48</sup> esu (at 1907 nm) in dilute nonpolar CH<sub>2</sub>Cl<sub>2</sub> solution, which is maintained in polar DMF ( μβ<sub>vec</sub>= -20,370 × 10<sup>-48</sup> esu) as measured by DC electric field-induced second harmonic generation (EFISH). Sterically enforced interaryl torsional angles are confirmed by single-crystal X-ray diffraction and solution phase Nuclear Overhauser Effect (NOE) NMR, and spectroscopic characterization reveals a zwitterionic/aromatic ground state electronic structure associated with the high μβ. We show that increasingly disrupted conjugation is correlated with increased μβ even at intermediate twist angles. The excellent performance and reduced aggregation in polar solvents opens new avenues for bridging microscopic and macroscopic chromophore performance.
letter to the editor-in-chief (continued) (2013)

predecessors and require substantial validation. We agree that scale performance requires ongoing investigation, and we are currently using Rasch analysis to look into item functioning of the PREE. Studies are also ongoing investigating whether the QuickDASH is comparable to the full version across different con texts, and, at this point, they suggest that the QuickDASH performs well but is not interchangeable with the full DASH. 5-7 We thank you for your insights on exploratory factor analysis and the need for confirmatory factor analysis. We agree with the basic premise of when these should be used. In this study, we performed an exploratory factor analysis, as the PREE and the American Shoulder and Elbow Surgeons Elbow Questionnaire have not been previously subjected to factor analysis. As we noted in the paper, we used the same approach on the DASH to improve comparability of results. We acknowledge that there is debate about the factor structure of the DASH, and a confirmatory factor analysis is warranted. We respect your concern about our sample size, and it is possible that an insufficient sample contributes to the variations in findings across clinical measurement studies that perform factor analyses. The subject-item ratio that you have noted is one way to determine sample-size requirements and would require a sample size of 300 to study the DASH. Ideally, we would have analyzed such a large sample, but we used our available 128 patients on the basis of Kaiser-Meyer-Olkin values that were high (0.85-0.92) and other accepted criteria for the adequacy of the sample for the exploratory factor analysis. 4
Nano-Dispersed Liquid Crystalline Structures for Tunable Negative-, Zero-, and Positive Index Materials in the Optical-Terahertz Regimes (2006)

We describe here three approaches to realize tunable or reconfigurable negative-zero-positive index materials: (1) planar nano-structured frequency selective surfaces [FSS] with aligned nematic liquid crystal; (2) core-shell nano-size spheres randomly distributed in a bulk nematic liquid crystal matrix; (3) magneto-optics active cholesteric liquid crystal as 1-D photonic crystal. Such metamaterials can be designed for applications in the optical, terahertz and microwave regimes.
Decreased bioavailability of hydrogen sulfide links vascular endothelium and atrial remodeling in atrial fibrillation (2020)

Oxidative stress drives the pathogenesis of atrial fibrillation (AF), the most common arrhythmia. In the cardiovascular system, cystathionine γ-lyase (CSE) serves as the primary enzyme producing hydrogen sulfide (H<sub>2</sub>S), a mammalian gasotransmitter that reduces oxidative stress. Using a case control study design in patients with and without AF and a mouse model of CSE knockout (CSE-KO), we evaluated the role of H<sub>2</sub>S in the etiology of AF. Patients with AF (n = 51) had significantly reduced plasma acid labile sulfide levels compared to patients without AF (n = 65). In addition, patients with persistent AF (n = 25) showed lower plasma free sulfide levels compared to patients with paroxysmal AF (n = 26). Consistent with an important role for H<sub>2</sub>S in AF, CSE-KO mice had decreased atrial sulfide levels, increased atrial superoxide levels, and enhanced propensity for induced persistent AF compared to wild type (WT) mice. Rescuing H<sub>2</sub>S signaling in CSE-KO mice by Diallyl trisulfide (DATS) supplementation or reconstitution with endothelial cell specific CSE over-expression significantly reduced atrial superoxide, increased sulfide levels, and lowered AF inducibility. Lastly, low H<sub>2</sub>S levels in CSE KO mice was associated with atrial electrical remodeling including longer effective refractory periods, slower conduction velocity, increased myocyte calcium sparks, and increased myocyte action potential duration that were reversed by DATS supplementation or endothelial CSE overexpression. Our findings demonstrate an important role of CSE and H<sub>2</sub>S bioavailability in regulating electrical remodeling and susceptibility to AF.
Improving Carbonate-Promoted C–H Carboxylation Using Mesoporous Carbon Supports (2023)

C–H carboxylation is an attractive way to utilize CO2 for chemical production provided that it does not consume resource-intensive reagents. Alkali carbonates dispersed into the pores of mesoporous supports display strongly basic reactivity under CO2, allowing them to be used as base promoters for C–H carboxylation of (hetero)arenes in the absence of other reagents or catalysts. Mesoporous oxides are convenient support materials, but only a relatively small fraction of the dispersed carbonate (ca. 10–20%) is converted to carboxylate products when metal oxide supports are used. Here, we compare mesoporous oxide and carbon supports and investigate the dependence of carbonate reactivity on the pore structure. We show that using mesoporous carbon supports can increase the carbonate conversion by 2–4× when compared to oxide supports. This improved carbonate reactivity is maintained across a variety of mesoporous carbons with different pore structures (ordered vs disordered) and pore diameters, indicating that the dispersed carbonate is intrinsically more reactive on the surface of a carbon material compared to an oxide surface. Reaction of the carboxylate products with dimethyl carbonate yields isolable methyl esters as the final product and regenerates the dispersed carbonate. We show that mesoporous carbon supports are robust to at least five cycles of successive C–H carboxylation and methylation. Understanding how the support structure affects dispersed carbonate reactivity is valuable for advancing C–H carboxylation toward practical application and utilizing these materials in other CO2 transformations.
Guest Editorial Adaptive Media Streaming (2014)

This special issue is concerned with the latest developments in state-of-the-art adaptive media streaming technologies and applications.
Discovery of Tenapanor: A First-in-Class Minimally Systemic Inhibitor of Intestinal Na+/H+ Exchanger Isoform 3 (2022)

We present herein the design, synthesis, and optimization of gut-restricted inhibitors of Na<sup>+</sup>/H<sup>+</sup> exchanger isoform 3 (NHE3). NHE3 is predominantly expressed in the kidney and gastrointestinal tract where it acts as the major absorptive sodium transporter. We desired minimally systemic agents that would block sodium absorption in the gastrointestinal tract but avoid exposure in the kidney. Starting with a relatively low-potency highly bioavailable hit compound (<b>1</b>), potent and minimally absorbed NHE3 inhibitors were designed, culminating with the discovery of tenapanor (<b>28</b>). Tenapanor has been approved by the U.S. Food and Drug Administration (FDA) for the treatment of irritable bowel syndrome with constipation in adults.
The Effect of Labeling Parameters on Perfusion-Based fMRI in Nonhuman Primates (2007)

The blood oxygenation level-dependent (BOLD) signal is the most commonly used modality of functional magnetic resonance imaging (fMRI) today. Although easy to implement, it is an ambiguous signal since it results from a combination of several hemodynamic factors. Functional cerebral blood flow changes, as measured by using arterial spin labeling (ASL), typically occur in the parenchyma and have been demonstrated to be more closely coupled to neural activation compared with BOLD. However, the intrinsically low signals from ASL techniques have hindered its widespread application to fMRI for basic research and even more so for clinical applications. Here, we report the first implementation of continuous ASL in the anaesthetized macaque at high magnetic field of 7T. The technique was optimized to permit maximum signal-to-noise ratio of functional perfusion-based images at high spatial resolution. The effect of labeling parameters, such as label time and post-label delay ( PLD), on functional cerebral blood flow (fCBF) in the visual cortex was evaluated. Functional cerebral blood flow maps did not change with increasing label time after 2,000 ms, indicating that a label time of 2,000 ms is sufficient for reliable mapping of fCBF. The percent changes obtained using fCBF were better localized to gray matter, than those obtained with BOLD. A short PLD of 200 ms revealed significantly higher fCBF changes at the cortical surface, indicating large-vessel contamination, than a long PLD of 800 ms. However, the effect of the PLD on fCBF was smaller than on baseline CBF. These results are of importance for high-resolution applications, and when accurate quantification is required for studies in monkeys as well as in humans.
Modulation of aqueous precursor solution temperature for the fabrication of high-performance metal oxide thin-film transistors (2015)

In this study, we present a simple process for the fabrication of aqueous-solution-processed metal oxide thin-film transistors (TFTs) via the manipulation of precursor solution temperature. Indium oxide TFTs fabricated from a solution of indium nitrate at 4 °C exhibited the highest mobility of 2.73 cm2/(V·s) at an annealing temperature of 200 °C. When the temperature of the metal oxide precursor solution is 4 °C, metal cations within the solution can be fully surrounded by H2O molecules owing to the high dielectric constant of H2O at low temperatures. These metal complexes are advantageous for the conversion of metal oxides via thermally driven hydrolysis and condensation processes due to their high potential energies. The same techniques have been applied successfully with high-order metal oxides including indium zinc oxide, indium gallium oxide, and indium gallium zinc oxide.
A Live Attenuated H9N2 Influenza Vaccine Is Well Tolerated and Immunogenic in Healthy Adults (2009)

Development of live attenuated influenza vaccines (LAIV) against avian strains with pandemic potential is an important public-health strategy. Either 1 or 2 10(7)-TCID(50) doses of H9N2 LAIV A/chicken/Hong Kong/G9/97 were administered intranasally to 50 adults in isolation; 41 participants were H9N2 seronegative, 24 of whom received 2 doses. The vaccine was well tolerated; vaccine shedding was minimal. After 2 doses, 92% of H9-seronegative participants had > or = 4-fold increases in hemagglutination-inhibition antibody, and 79% had > or = 4-fold increases in neutralizing antibody; 100% had responses detected by at least 1 assay. Although replication of the H9N2 LAIV was restricted, 2 doses were immunogenic in H9N2-seronegative adults. Trial registration. ClinicalTrials.gov identifier: NCT00110279 .