gebhart/patrepeval huggingface dataset:
Reactions of the 21st Century: Two Decades of Innovative Catalyst Design for Palladium-Catalyzed Cross-Couplings (2015)

A brief account of the major developments of palladium-catalyzed cross-coupling during the last two decades is highlighted chronologically, with an emphasis on the personal experiences of the corresponding author. Important contributions from both academia and industry, which have been vital to the accelerated growth of this area, are presented. The developments of new classes of ligands and the switch from in situ to preformed catalysts tailored to address the challenges in cross-coupling are reviewed, reflecting an evolution in continued growth.
Load Modeling For Power System Requirement and Capability Assessment (2014)

Load modeling is essential for designing and operating power systems. This paper presents an approach for load modeling on smaller power systems that could be “islanded,” an approach that preserves the detail of a full differential equation simulation of relevant loads while requiring far less computation by employing behavioral models of important loads. Mixed domain models, e.g., stochastic, finite-state machine, and differential equation models, are employed to provide accuracy in a computationally tractable framework. Where simple load models may not be adequate, particularly for generation-constrained systems (in a paper by Sotiropoulos et al.), and full models are computationally unfavorable, this approach provides excellent results that enable “what-if” studies and flexible re-evaluation during power system design and operational assessment. Naval vessels, particularly warships with relatively large and increasing load power requirements, offer a unique laboratory for understanding isolated power grids. This paper examines the DDG-51 power distribution system as an example.
Mapping the Valence States of Transition-Metal Elements Using Energy-Filtered Transmission Electron Microscopy (1999)

The properties of transition-metal oxides are related to the presence of elements with mixed valences, such as Mn and Co. Spatial mapping of the valence-state distribution of transition-metal elements is a challenge to existing microscopy techniques. In this letter, using the valence-state information provided by the white lines observed in electron energy-loss spectroscopy in a transmission electron microscope (TEM), an experimental approach is demonstrated to map the valence-state distributions of Mn and Co using the energy-filtered TEM. An optimum spatial resolution of ∼ 2 nm has been achieved for two-phase Co oxides with sharp boundaries. This provides a new technique for quantifying the valence states of cations in magnetic oxides.
3. Shape-controlled metal nanoparticles for electrocatalytic applications (2018)

Aapplication of shape-controlled metal nanoparticles is profoundly impacting the field of electrocatalysis. On the one hand, their use has remarkably enhanced the electrocatalytic activity of many different reactions of interest. On the other hand, their usage is deeply contributing to a correct understanding of the correlations between shape/surface structure and electrochemical reactivity at the nanoscale. However, from the point of view of an electrochemist, there are a number of questions that must be fully satisfied before the evaluation of the shaped metal nanoparticles as electrocatalysts including (i) surface cleaning, (ii) surface structure characterization, and (iii) correlations between particle shape and surface structure. In this chapter, we will cover all these aspects. Initially, we will collect and discuss about the different practical protocols and procedures for obtaining clean shaped metal nanoparticles. This is an indispensable requirement for the establishment of correct correlations between shape/surface structure and electrochemical reactivity. Next, we will also report how some easy-to-do electrochemical experiments including their subsequent analyses can enormously contribute to a detailed characterization of the surface structure of the shaped metal nanoparticles. At this point, we will remark that the key point determining the resulting electrocatalytic activity is the surface structure of the nanoparticles (obviously, the atomic composition is also extremely relevant) but not the particle shape. Finally, we will summarize some of the most significant advances/results on the use of these shaped metal nanoparticles in electrocatalysis covering a wide range of electrocatalytic reactions including fuel cell-related reactions (electrooxidation of formic acid, methanol and ethanol and oxygen reduction) and also CO2 electroreduction.
Fluid−Liquid and Fluid−Solid Transitions of Poly(ethylene-<i>c</i><i>o</i>-octene-1) in Sub- and Supercritical Propane Solutions (2000)

Fluid−liquid (FL) and fluid−solid (FS) phase transitions are measured and correlated with two SAFT equations of state for poly(ethylene-co-octene-1) solutions in sub- and supercritical propane. The polymer concentration is found to have a weak effect on both FL and FS transitions in the range of this study (0.01−0.1 polymer weight fraction). Increasing molecular weight is found to increase the FL pressure and FS temperature, whereas increasing branch density is found to decrease the FL pressure and FS temperature.
Determination of Calcium with Ion‐Selective Electrode in Black Liquor from a Kraft Pulping Process (2009)

Abstract A solid‐contact Ca 2+ ‐selective electrode was used to study speciation of calcium in black liquor. During extended time of operation the standard potential was found to change, but the sensitivity of the electrode, and the selectivity coefficients remained unchanged. Laser ablation inductively coupled plasma mass spectrometry (LA‐ICP‐MS) measurements showed sodium sorption to the electrode membrane during the measurement in black liquor. Linearization of the complexometric titration curves were used to determine the concentrations of Ca 2+ , CaOH + as well as weak and strong calcium complexes. With inductively coupled plasma optical emission spectrometry (ICP‐OES), similar total calcium concentrations were obtained as by the EDTA titration.
Expedient airfield runway repair using folded fibreglass mat (2014)

For expedient airfield runway repair, the US Air Force has developed a folded fibreglass mat to cover craters repaired with a well-compacted granular base material. The objective of this study was to evaluate the adequacy of using polymer plugs to anchor the mat to a repaired asphalt pavement for heavy aircraft operations. The effort consisted of materials testing, field experiments and analytical modelling. An 89,800-kg (198,000-pound) load cart having the footprint of a single C-5 main gear was pulled on a mat with wheels locked to simulate full braking forces. Anchor bushings were instrumented to measure anchor loads. A simplified numerical model was developed for anchor load analysis which has been validated against the load cart test data. The anchor system sustained the braking forces from all the load cart tests without failure. The polymer plug anchors have adequate vertical pull-out capacity to resist the uplifting force from the ‘bow wave’ formation of the mat. The polymer plug anchors also have adequate resistance to fatigue loads.
Complete Genome Sequence of a Moderately Virulent Aeromonas hydrophila Strain, pc104A, Isolated from Soil of a Catfish Pond in West Alabama (2014)

Aeromonas hydrophila pc104A is a moderately virulent strain isolated from the soil of a catfish pond in west Alabama in 2010. Its full genome is 5,023,829 bp. The availability of this genome will allow comparative genomics to identify the virulence genes that are important for pathogenesis or immunogens for the purpose of vaccine development.
Sexually-Transmitted/Founder HIV-1 Cannot Be Directly Predicted from Plasma or PBMC-Derived Viral Quasispecies in the Transmitting Partner (2013)

These suggest that a severe genetic bottleneck occurs during subtype B HIV-1 heterosexual and homosexual transmission. Sexually-transmitted/founder virus cannot be directly predicted by analysis of the donor's quasispecies in plasma and/or PBMC. Additional studies are required to fully understand the traits that confer the capacity to transmit and establish infection, and determine the role of concomitant STIs in mitigating the genetic bottleneck in mucosal HIV transmission.
Optimal and Robust Beamforming for Secure Transmission in MISO Visible-Light Communication Links (2016)

This work considers secure downlink transmission in indoor multiple-input, single-output visible-light communication (VLC) links. In particular, we study the design of transmit beamformers that maximize the achievable secrecy rate subject to amplitude constraints imposed by the limited dynamic range of the light-emitting diodes (LEDs). Such constraints render the design problem nonconvex and difficult to solve. We show, however, that this nonconvex problem can be transformed into a solvable quasiconvex line search problem. We also consider the more realistic case of imperfect channel information regarding the receiver's and eavesdropper's links. We tackle the worst-case secrecy rate maximization problem, again subject to amplitude constraints. In our treatment, uncertainty in the receiver's channel is due to limited feedback, and is modeled by spherical sets. On the other hand, there is no feedback from the eavesdropper, and the transmitter shall utilize the line-of-sight channel gain equation to map the eavesdropper's nominal location and orientation into an estimate of the channel gain. Thus, we derive uncertainty sets based on inaccurate information regarding the eavesdropper's location and orientation, as well as the emission pattern of the LEDs. We also consider channel mismatches caused by the uncertain non-line-of-sight components. We provide numerical examples to demonstrate the performance gain of the optimal beamformer compared with the suboptimal schemes, and the robust beamformer compared with its nonrobust counterparts. We also evaluate the worst-case secrecy rate performance of the robust beamformer in a typical VLC scenario along with the aforementioned uncertainty sources.
ChemInform Abstract: STEROIDS. CCLII. 17β‐(4‐(1,3‐THIAZOLYL))ANDROST‐5‐ENE DERIVATIVES (1982)

Abstract Im Zusammenhang mit der cardiotonischen Aktivität von 17β‐[ 1 ,3 ]‐Thiazolyl‐(4′)‐steroiden werden die Analogen (IIa) bzw. (IV) synthetisiert und ihre Strukturen spektroskopisch und durch hydrogenolytischen Abbau sichergestellt.
Data from Pharmacokinetic Modeling of Tumor Bioluminescence Implicates Efflux, and Not Influx, as the Bigger Hurdle in Cancer Drug Therapy (2023)

&lt;div&gt;Abstract&lt;p&gt;&lt;i&gt;In vivo&lt;/i&gt; bioluminescence imaging is a powerful tool for assessing tumor burden and quantifying therapeutic response in xenograft models. However, this technique exhibits significant variability as a consequence of differences in substrate administration, as well as the tumor size, type, and location. Here, we present a novel pharmacokinetic (PK) approach that utilizes bioluminescence image data. The sample data are taken from mice implanted with a melanoma tumor cell line that was transfected to express the firefly (&lt;i&gt;Photinus pyralis&lt;/i&gt;) luciferase gene. At 5, 7, and 10 days postimplant, intraperitoneal injections of D-luciferin were given to monitor the uptake into the tumor, and the tumor volume was measured using ultrasound. A multicompartment PK model was used to simultaneously fit all experiments for each mouse. We observed that the rates of luciferin transport in and out of the tumor exhibited a clear dependence on the tumor volume. Also, the rate of tumor influx increased faster than did the efflux, resulting in a shortening of the time to peak-luciferin concentration as the tumor grows. The time of the peak concentration correlated poorly with the tumor volume, but the peak bioluminescence signal and the area under the curve both exhibited a dependence on the tumor surface area. These results agree with Starling's hypothesis relating the higher interstitial fluid pressure in the tumor with flux across the boundary, and suggest that drug transport may depend more strongly on the surface area of the tumor than its volume. These observations provide a quantitative physical rationale for molecular targeting of therapeutics that enhance trapping and overcome the accelerated efflux kinetics. &lt;i&gt;Cancer Res; 71(3); 686–92. ©2010 AACR&lt;/i&gt;.&lt;/p&gt;&lt;/div&gt;
IPTV: Technology, Practice, and Service (2012)

1Department of Computer Science, National Taipei University of Education, Taipei 106, Taiwan 2Department of Information Management, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan 3Department of Electrical and Computer Engineering, University of Waterloo, Waterloo, ON, Canada N2L 3G1 4Department of Telecommunication and Media Informatics, Budapest University of Technology and Economics, Budapest 1521, Hungary
Piezoceramic-Polymer Composites for Underwater Transducer Applications, (1996)

Abstract : A piezocomposite structure was prepared in a 1-1-3 configuration by casting a compressible epoxy between lead zirconate titanate (PZT) rods and a stiff polymer preform matrix. A corrugated polymer perform was used to provide structural stability under high hydrostatic pressures. The changes of piezoelectric properties with pressure and temperature were very small. To enhance the piezoelectric responsivity, the 1-1-3 composite is further modified to have PZT rods extended beyond the epoxy matrix. The pressure applied to the cover plate is then transferred only to PZT rods and the pressure on the PZT rods is amplified by the reciprocal of the PZT volume fraction of the composite. As a result, a figure of merit can be achieved to more than 10,000 x 10(exp -15) (sq m/N).
Abstract 77: Perihematomal Edema Expansion Rate is Associated With Poor Functional Outcomes in Basal Ganglia Intracerebral Hemorrhage (2019)

Background: Perihematomal edema (PHE) has been associated with poor outcomes in deep spontaneous intracerebral hemorrhage (ICH). However, it is unknown if specific deep location (thalamus versus basal ganglia) modifies the effect of PHE on functional outcome. Methods: We used data from the Antihypertensive Treatment of Acute Cerebral Hemorrhage 2 (ATACH-2) trial. We included patients who had deep ICH and available neuroimaging and 3-month functional outcome data. We calculated the 24-hour PHE expansion rate as the difference in PHE volume between baseline and 24-hour CT scan divided by hours between scans. We used logistic regression models to evaluate the relationship between PHE expansion rate (natural-log transformed) and poor outcome (3-month modified Rankin Scale [mRS] score 4-6), with subgroup analyses to determine the effect of thalamic vs basal ganglia location on this association. Results: Out of 1000 subjects enrolled in ATACH-2, 870 (87%) had supratentorial, deep ICH. Of these, 754 (87%) had complete neuroimaging and outcome data (thalamus n=324, basal ganglia n=430). Overall, PHE expansion rate was associated with poor outcome in univariable (OR 1.3, 1.2-1.5, p&lt;0.001) but not multivariable models (OR 1.1, 0.9-1.3, p=0.24). Median PHE expansion rate was faster in basal ganglia versus thalamic ICH (0.03 [0.09] mL/hr vs 0.01 [0.04] mL/hr, p&lt;0.001). In basal ganglia ICH, PHE expansion rate was associated with poor outcome (OR 1.4, 1.1-1.8, p=0.01) in a multivariable model including age, sex, race, admission GCS, ICH volume (natural log-transformed), presence of intraventricular hemorrhage (IVH), hematoma expansion, time to baseline scan, and treatment group. In thalamic ICH, PHE expansion rate was not associated with poor outcome in multivariable analysis (OR 0.9, 0.7-1.2, p=0.44). Conclusions: In the ATACH-2 trial population, 24-hour PHE expansion rate was associated with poor functional outcome among basal ganglia, but not thalamic, bleeds. These results provide further evidence that PHE is associated with functional outcomes and supports the existence of effect modification by the specific deep location involved.
Influenza (2020)

Influenza is an acute respiratory viral infection caused by different strains of influenza A and influenza B viruses. Members of this large group of enveloped, segmented RNA viruses belonging to the family Orthomyxoviridae are further identified according to characteristics of their two surface glycoproteins, hemagglutinin (H) and neuraminidase (N). Strains of influenza A H1N1 and H3N2 viruses and strains from both major lineages of influenza B, Victoria and Yamagata, have circulated worldwide for several decades, causing seasonal epidemics of human infection. During replication, influenza viruses have an intrinsic propensity to spontaneously mutate. Such mutations result in drifting of antigenic sites present on surface glycoproteins over time leading to the generation of influenza strains that can evade the preexisting immunity in those who had been immunized or infected with similar strains in the recent past. Each year, the World Health Organization works with its international partners to select the three or four vaccine strains of influenza virus most likely to offer the most protection against the strains that are predicted to cause epidemics in the coming season. The imperfect nature of these predictions can lead to “vaccine mismatch” resulting in poor vaccine performance for one or more strains. Individuals at highest risk for developing severe influenza infection include pregnant women, those at the extremes of age, and those with chronic underlying health problems such as heart disease, lung disease, diabetes, asthma, and obesity. Despite the predictability of annual influenza epidemics and the widespread availability of safe and modestly effective vaccines, immunization rates remain suboptimal. Efforts to improve vaccine uptake and effectiveness, especially for the highest risk populations, are ongoing.
Extremely Long-Range Chromatin Loops Link Topological Domains to Facilitate a Diverse Antibody Repertoire (2016)

Early B cell development is characterized by large-scale Igh locus contraction prior to V(D)J recombination to facilitate a highly diverse Ig repertoire. However, an understanding of the molecular architecture that mediates locus contraction remains unclear. We have combined high-resolution chromosome conformation capture (3C) techniques with 3D DNA FISH to identify three conserved topological subdomains. Each of these topological folds encompasses a major VH gene family that become juxtaposed in pro-B cells via megabase-scale chromatin looping. The transcription factor Pax5 organizes the subdomain that spans the VHJ558 gene family. In its absence, the J558 VH genes fail to associate with the proximal VH genes, thereby providing a plausible explanation for reduced VHJ558 gene rearrangements in Pax5-deficient pro-B cells. We propose that Igh locus contraction is the cumulative effect of several independently controlled chromatin subdomains that provide the structural infrastructure to coordinate optimal antigen receptor assembly.
Rapid capillary zone electrophoresis in isoelectric histidine buffer: high resolution of the poly-T tract allelic variants in intron 8 of the CFTR gene (1998)

The poly-T tract in intron 8 of the cystic fibrosis conductance transmembrane regulator (CFTR) gene exists in three variants, 5T, 7T, and 9T. The 7T and 9T variants generate a predominantly normal transcript, whereas the 5T variant engenders an anomalous product. The analysis of the poly-T tract is assuming increasing relevance, both to assess the implication of the CFTR gene in congenital bilateral absence of the vas deferens and to evaluate genotype-phenotype correlation in cystic fibrosis. Mapping of the poly-T tract has been performed by cumbersome and time-consuming methodologies. Capillary zone electrophoresis, combined with laser-induced fluorescence detection, was introduced for a rapid separation of the poly-T tract amplified products. As separation buffer, we adopted 200 mmol/L histidine (pH = pI = 7.6), and the capillary was filled with 10% polyacrylamide, allowing separations in less than 10 min. Capillary zone electrophoresis results were in perfect agreement with dot-blot analysis.
Histone deacetylase inhibitors all induce p21 but differentially cause tubulin acetylation, mitotic arrest, and cytotoxicity. (2002)

By preventing deacetylation of histones, histone deacetylase inhibitors (HDIs) transcriptionally induce p21. Here we show that the HDIs sodium butyrate (Bu), trichostatin A (TSA) and depsipeptide (FR901228) all induced p21, but only TSA and FR901228 caused mitotic arrest (in addition to arrest in G1 and G2). The ability to cause mitotic arrest correlated with the higher cytotoxicity of these compounds. Although causing mitotic arrest, TSA and FR901228 (unlike paclitaxel) did not affect tubulin polymerization. Unlike FR9012208, TSA caused acetylation of tubulin at lysine 40; both soluble tubulin and microtubules were acetylated. Whereas the induction of p21 reached a maximum by 8 h, tubulin was maximally acetylated after only 1 h of TSA treatment. Tubulin acetylation was detectable after treatment with 12-25 ng/ml TSA although acetylation plateaued at 50 ng/ml TSA, coinciding with G2-M arrest, appearance of cells with a sub-2N DNA content, poly(ADP-ribose) polymerase cleavage, and rapid cell death. We conclude that HDIs have differential effects on non-histone deacetylases and that rapid acetylation of tubulin caused by TSA is a marker of nontranscriptional effects of TSA.
Polyethylene with extremely narrow polydispersity obtained from the new catalyst systems Nb(η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)(η<sup>4</sup>-diene)Cl<sub>2</sub>–MAO and Nb(η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)(η<sup>4</sup>-diene)<sub>2</sub>–MAO (1994)

Niobium complexes Nb(η5-C5Me5)(η4-diene)Cl2(diene = buta-1,3-diene 1a, isoprene 1b, or 2,3-dimethylbuta-1,3-diene 1c) and Nb(η5-C5Me5)(η4–2,3-dimethylbuta-1,3-diene)23 in the presence of a large excess of methylaluminoxane (MAO)were found to be active catalysts for the polymerization of ethylene to give polyethylen with narrow polydispersities (Mw/Mn as low as 1.05).