gebhart/patrepeval huggingface dataset:
Highly Lewis Acidic Arylboronate Esters Capable of Colorimetric Turn‐On Response (2015)

A series of boronate-π-acceptor compounds containing different types of π bridges (1,4-phenylen or thien-2,5-diyl or furan-2,5-diyl) that link the switchable boronate ester group with the efficient TCF acceptor group (TCF=2-dicyanomethylen-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran) has been synthesized. A TCF chromophore of this type undergoes transition to a donor-π-acceptor compound upon coordination of Lewis bases at the Lewis acidic boron center, which is accompanied by an enhanced intramolecular charge-transfer interaction. The Lewis acid character has been investigated by spectroscopic measurements (UV/Vis, NMR spectroscopies) as well as DFT and ab initio-based calculations. It is shown that the TCF acceptor group and thiophene or furan π-bridges directly bound to the boron atom cooperatively increase the Lewis acidity. UV/Vis titration experiments confirm fluoride binding constants in the range of up to 10(8) M(-1) in CH2 Cl2 . In addition to the strong boron fluoride binding motif, Lewis interactions also occur with weaker Lewis bases, such as pyridine or aliphatic alcohols. The unique combination of chromophoric and Lewis acidic properties is responsible for the intense colorimetric turn-on response detectable after complex formation.
Atmospheric Gas and Heating Transmission Electron Microscopy with Water Vapor Control (2023)

Journal Article Atmospheric Gas and Heating Transmission Electron Microscopy with Water Vapor Control Get access Dan Zhou, Dan Zhou DENSsolutions B.V., The Netherlands Corresponding author: dan.zhou@denssolutions.com Search for other works by this author on: Oxford Academic Google Scholar Ronald G Spruit, Ronald G Spruit DENSsolutions B.V., The Netherlands Search for other works by this author on: Oxford Academic Google Scholar Hugo Perez Garza, Hugo Perez Garza DENSsolutions B.V., The Netherlands Search for other works by this author on: Oxford Academic Google Scholar Eva Bladt, Eva Bladt DENSsolutions B.V., The Netherlands Search for other works by this author on: Oxford Academic Google Scholar Chenyang Lu, Chenyang Lu Department of Nuclear Science and Technology, School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an, China Search for other works by this author on: Oxford Academic Google Scholar Xi Liu, Xi Liu School of Chemistry and Chemical Engineering, In situ Center for Physical Sciences, Shanghai Jiao Tong University, Shanghai, China Search for other works by this author on: Oxford Academic Google Scholar James Carter, James Carter Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis FUNCAT, Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, United Kingdom Search for other works by this author on: Oxford Academic Google Scholar Graham Hutchings, Graham Hutchings Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis FUNCAT, Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, United Kingdom Search for other works by this author on: Oxford Academic Google Scholar Wei Liu Wei Liu Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences, Dalian, China Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 29, Issue Supplement_1, 1 August 2023, Pages 1591–1592, https://doi.org/10.1093/micmic/ozad067.818 Published: 22 July 2023
Statistical mechanical lattice model of the dual-peak electrocaloric effect in ferroelectric relaxors and the role of pressure (2011)

Despite considerable effort, the microscopic origin of the electrocaloric (EC) effect in ferroelectric relaxors is still intensely discussed. Ferroelectric relaxors typically display a dual-peak EC effect, whose origin is uncertain. Here we present an exact statistical mechanical matrix treatment of a lattice model of polar nanoregions forming in a neutral background and use this approach to study the characteristics of the EC effect in ferroelectric relaxors under varying electric field and pressure. The dual peaks seen in the EC properties of ferroelectric relaxors are due to the formation and ordering of polar nanoregions. The model predicts significant enhancement of the EC temperature rise with pressure which may have some contribution to the giant EC effect.
Threshold‐free estimation of functional antibody titers of a group B streptococcus opsonophagocytic killing assay (2015)

Opsonophagocytic killing assays (OPKA) are routinely used for the quantification of bactericidal antibodies in blood serum samples. Quantification of the OPKA readout, the titer, provides the basis for the statistical analysis of vaccine clinical trials having functional immune response endpoints. Traditional OPKA titers are defined as the maximum serum dilution yielding a predefined bacterial killing threshold value, and they are estimated by fitting a dose-response model to the dilution-killing curve. This paper illustrates a novel definition of titer, the threshold-free titer, which preserves biological interpretability while not depending on any killing threshold or on a postulated shape of the dose-response curve. These titers are shown to be more precise than the traditional threshold-based titers when using simulated and experimental group B streptococcus OPKA experimental data. Also, titer linearity is shown to be not measurable when using threshold-based titers, whereas it becomes measurable using threshold-free titers. The biological interpretability and operational characteristics demonstrated here indicate that threshold-free titers are an appropriate tool for the routine analysis of OPKA data.
Correction: Luminescent imidazolium–naphthalene salts in liquid and solid states (2020)

Correction for ‘Luminescent imidazolium–naphthalene salts in liquid and solid states’ by Matthieu L’Her <italic>et al.</italic>, <italic>New J. Chem.</italic>, 2019, <bold>43</bold>, 12529–12532.
Influencing mechanism of inherent aluminum oxide film on coach peel performance of baked Al-Steel RSW (2020)

A traditional resistance spot weld process in combination with Multi-Ring Domed welding electrodes was applied to join AA5754-O to low carbon steel. The coach peel performance of welds was compared between the as-welded (unbaked) and post-paint bake condition (baked). The unbaked joints exhibited button pullout fracture mode, whereas the baked joints were severely weakened and demonstrated an interfacial fracture mode which is attributed to the baking process inducing thermal stress at the dissimilar material interface which cracked the semi-continuous oxide film inclusions at the edge of the solidified aluminum nugget to form a more continuous defect layer across the diameter of the aluminum nugget. These defects act as low energy crack paths under applied loads and reduce joint strength by promoting undesirable interfacial fracture in baked welds.
Assessment of medical professionalism: preliminary results of a qualitative study (2020)

The domains of professionalism in Singapore were similar to previous studies. This study allows a better understanding of medical professionalism to enhance the assessment and ultimately, the teaching of medical professionalism in an urban multi-ethnic Asian city.
Using narrow-linewidth lasers for rapidly tunable microwave signal generators (2016)

Narrow-linewidth lasers are a key component of photonic microwave signal generators, as the width of the generated RF signal is equal to the beat note of used lasers. Heterogeneous silicon photonics platform opens up a possibility of improving the coherence of fully integrated photonic microwave generators by providing means to separate the photon resonator and absorbing active medium; improving the total Q factor of the laser cavity and providing the control of the spontaneous emission into the lasing mode. Further improvement in the laser linewidth is possible by using ring resonators inside the laser cavity. Using the rings inside the cavity benefits the linewidth in two ways: (1) resonance cavity length enhancement and (2) negative optical feedback. The combined effect allows for record linewidth performance as was recently demonstrated: widely-tunable fully monolithically-integrated semiconductor lasers with 50 kHz integrated linewidths. We further theoretically predict that at least an order of magnitude better performance is achievable and that sub-kHz linewidths should be obtainable using low-loss silicon waveguide platform with ~0.5 dB/cm of loss. Heterogeneous platform further complements the microwave signal generator with demonstrated highspeed modulators with 74 GHz bandwidth and detectors with 12 dBm output power at 40 GHz. The InP-based modified uni-traveling carrier photodiodes on SOI waveguides have the highest reported output power levels at multi-GHz frequencies for any waveguide photodiode technology including native InP, Ge/Si, and heterogeneously integrated photodiodes.
Antihypertensive efficacy of FK906, a novel human renin inhibitor. (1993)

The antihypertensive efficacy of a newly developed orally active human renin inhibitor (FK906) was evaluated in 14 patients with essential hypertension aged 40 to 83 years (mean, 64 years). After a 1-week placebo run-in period, 25 mg of FK906 was given twice daily; this was increased up to 100 mg twice daily until sufficient blood pressure reduction was obtained. No adverse effects were observed in any patients. Supine blood pressure was decreased from 169 +/- 3/97 +/- 1 mmHg to 153 +/- 5/87 +/- 3 mmHg at 25 mg twice daily (n = 14), to 142 +/- 5/78 +/- 3 mmHg at 50 mg twice daily (n = 12), P < 0.01), and to 137 +/- 10/77 +/- 8 mmHg at 100 mg twice daily (n = 6, P < 0.01). The hypotensive effect was sustained over 24 hours. Pulse rate did not change. Plasma renin activity and angiotensin I were decreased after FK906 administration only in patients with increased plasma renin activity. The hypotensive effects of FK906 were not correlated with baseline plasma renin activity. Suppression of the noncirculating tissue renin-angiotensin system may account for the hypotensive action of FK906. The results suggest that FK906 is a promising antihypertensive drug in patients of all ages and with different plasma renin levels.
A comparison of cemented and cementless fixation with the Miller-Galante total knee arthroplasty. (1989)

This study demonstrates the comparability of cemented and cementless fixation in total knee arthroplasty at short-term follow-up. While some differences in pain, limp, and support were noted, knee scores were equivalent. Roentgenographic analysis as well as implant retrieval studies demonstrate that porous ingrowth is a viable method of fixation of total knee components. Further long-term follow-up studies will be required to determine both the long-term clinical results and the longevity of the fixation interface.
Quantum dot-photonic crystal chips for quantum information processing (2008)

We have recently developed a technique for local, reversible tuning of individual quantum dots on a photonic crystal chip by up to 1.8nm, which overcomes the problem of large quantum dot inhomogeneous broadeningusually considered the main obstacle in employing such platform in practical quantum information processing systems.We have then used this technique to tune single quantum dots into strong coupling with a photonic crystal cavity, and observed strong coupling both in photoluminescence and in resonant light scattering from the system, as needed for several proposals for scalable quantum information networks and quantum computation.
Dipyrrolo[2,3-b:2′,3′-e]pyrazine-2,6(1H,5H)-dione based conjugated polymers for ambipolar organic thin-film transistors (2012)

We report two new low band-gap conjugated polymers containing dipyrrolo[2,3-b:2',3'-e]pyrazine-2,6(1H,5H)-dione (PzDP), PPzDPDP-BT and PPzDPDP-TT, both showing ambipolar transport in organic thin film transistors (OTFTs), with hole mobility up to 0.066 cm(2) V(-1) s(-1), electron mobility up to 0.021 cm(2) V(-1) s(-1), and high current on-to-off ratios of 10(5)-10(6).
Design of high transformation ratio millimeter-wave integrated transformers (2012)

A novel topology for millimeter-wave-integrated transformers is proposed. The windings are stacked and secondaries are designed with different trace widths and different diameters from that of the primary, in order to obtain relatively high-inductance transformation ratios. Measurement and simulation results of 65 nm Complementary Metal Oxide Semiconductor (CMOS) and 130 nm combination of Bipolar and CMOS (BiCMOS) transformers present the impact of this structure on the inductances, quality factor, coupling coefficient, and minimum insertion loss. Within certain limits on the trace widths, it is shown that the proposed topology not only increases the transformation ratio but also improves its overall performance.
Experimental and Numerical Study of Heat Transfer in a Gas Turbine Combustor Liner (2003)

Experiments and numerical simulations were conducted to understand the heat transfer characteristics of a stationary gas turbine combustor liner cooled by impingement jets and cross flow between the liner and sleeve. Heat transfer was also aided by trip-strip turbulators on the outside of the liner and in the flowsleeve downstream of the jets. The study was aimed at enhancing heat transfer and prolonging the life of the combustor liner components. The combustor liner and flow sleeve were simulated using a flat-plate rig. The geometry has been scaled from actual combustion geometry except for the curvature. The jet Reynolds number and the mass-velocity ratios between the jet and cross flow in the rig were matched with the corresponding combustor conditions. A steady-state liquid crystal technique was used to measure spatially resolved heat transfer coefficients for the geometric and flow conditions mentioned above. The heat transfer was measured both in the impingement region as well as over the turbulators. A numerical model of the combustor test rig was created that included the impingement holes and the turbulators. Using CFD, the flow distribution within the flow sleeve and the heat transfer coefficients on the liner were both predicted. Calculations were made by varying the turbulence models, numerical schemes, and the geometrical mesh. The results obtained were compared to the experimental data and recommendations have been made with regard to the best modeling approach for such liner-flow sleeve configurations.
Shaping Aviation Integrity: Two RAIMs for Safety (2008)

This article describes new methods to improve the integrity of Global Positioning System (GPS) for applications in aviation. Focus is on addressing integrity monitoring, time-to-alert (TTA), and the necessary constellation strength. The article references the Federal Aviation Administration’s (FAA) GPS Evolutionary Architectural Study (GEAS) which was initiated with the goal of creating an architecture capable of bringing airplanes within 200 feet of the ground. It discusses the implications that the architecture will have on the Wide Area Segmentation Systems (WAAS) and Local Area Augmentation Systems (LAAS) programs. Techniques such as Receiver Autonomous Integrity Monitoring (RAIM) and relative (RRAIM) and absolute (ARAIM), which are used for Lateral Navigation (LNAV), and integrity determination, are described. The article evaluates the advantages of these architectures and their implications for constellations and satellite strength.
Effect of Growth Factors and Defined Medium on Primary Hepatocyte Culture on Polyester Carriers with Varying Surface Treatment (1997)

The growth and function of primary rat hepatocytes was characterized on commercial, electrostatically treated nonwoven polyester carriers (Fibra-Cel) designed for use in a packed-bed bioreactor. Such carriers are attractive in that they allow three-dimensional cellular interactions and afford shear protection. To initiate investigations of the potential of these carriers for hepatocyte support, novel hepatocyte media were evaluated along with a variety of carrier surface treatments in static cell culture. Different serum-free chemically defined media with recombinant growth factors known to be complete mitogens for hepatocytes were contrasted. Carrier treatments included unmodified surfaces contrasted with carriers coated with type I collagen or HepG2-derived extracellular matrix. Hepatocytes were also co-cultured with nonparenchymal cells. Cellular mitochondrial metabolism of 3-(4,5-dimethylthiozol- 2-yellow)-2,5 diphenyl tetrazolium bromide (MTT) was used to ascertain continued viability. Cell proliferation was assessed by total DNA measurements. Cell morphology was monitored by phase microscopy. 7-Ethoxycoumarin deethylation was used to indicate cytochrome p450 function. MTT metabolism initially declined, but stabilized at 8 days, and then was maintained on the treated carriers for at least 30 days with a novel hepatocyte media supplemented with hepatocyte growth factor and epidermal growth factor. Carrier treatment also had significant effects on MTT metabolism with HepG2 matrices < collagen < untreated carriers. Co-culture with nonparenchymal cells also appeared to improve MTT conversion by hepatocytes substantially over those cultured on carriers treated with collagen. Evenly distributed throughout the carriers early in the culture period, hepatocyte clustering became apparent over time. Cytochrome p450 activity was sustained for at least 18 days in hepatocytes maintained in static culture on carriers treated with collagen. The combination of this commercial carrier system with specifically designed hepatocyte media and modified carrier substrates holds promise as a new avenue for bioartificial liver design.
Molecular Mechanisms of Liver Carcinogenesis in the Mdr2-Knockout Mice (2007)

Mouse models of hepatocellular carcinoma (HCC) simulate specific subgroups of human HCC. We investigated hepatocarcinogenesis in Mdr2-knockout (Mdr2-KO) mice, a model of inflammation-associated HCC, using gene expression profiling and immunohistochemical analyses. Gene expression profiling showed that although Mdr2-KO mice differ from other published murine HCC models, they share several important deregulated pathways and many coordinately differentially expressed genes with human HCC data sets. Analysis of genome positions of differentially expressed genes in liver tumors revealed a prolonged region of down-regulated genes on murine chromosome 8 in three of the six analyzed tumor samples. This region is syntenic to human chromosomal regions that are frequently deleted in human HCC and harbor multiple tumor suppressor genes. Real-time reverse transcription-PCR analysis of 16 tumor samples confirmed down-regulation of several tumor suppressors in most tumors. We show that in the aged Mdr2-KO mice, cyclin D1 nuclear level is increased in dysplastic hepatocytes that do not form nodules; however, it is decreased in most dysplastic nodules and in liver tumors. We found that this decrease is mostly at the protein, rather than the mRNA, level. These findings raise the question on the role of cyclin D1 at early stages of hepatocarcinogenesis in the Mdr2-KO HCC model. Furthermore, we show that most liver tumors in Mdr2-KO mice were characterized by the absence of beta-catenin activation. In conclusion, the Mdr2-KO mouse may serve as a model for beta-catenin-negative subgroup of human HCCs characterized by low nuclear cyclin D1 levels in tumor cells and by down-regulation of multiple tumor suppressor genes.
Rate-limiting processes in the fast SET operation of a gapless-type Cu-Ta2O5 atomic switch (2013)

The speed of the SET operation of a Cu/Ta2O5/Pt atomic switch from a high-resistance state to a low-resistance state was measured by transient current measurements under the application of a short voltage pulse. The SET time decreased exponentially with increasing pulse amplitude, reaching as low as 1 ns using moderate pulse voltages. This observation shows that oxide-based atomic switches hold potential for fast-switching memory applications. From a comparison with atomistic nucleation theory, Cu nucleation on the Pt electrode was found to be the likely rate-limiting process determining the SET time.
Knight shift in small platinum particles (1984)

We have prepared small platinum particles on Si${\mathrm{O}}_{2}$ by a novel method, and observed the $^{195}\mathrm{Pt}$ nuclear magnetic resonance. The signals are extremely broad, ranging essentially from a field-to-frequency ratio $\frac{{H}_{0}}{{\ensuremath{\nu}}_{0}}=1.14$ G/kHz (as in bulk Pt) to $\frac{{H}_{0}}{{\ensuremath{\nu}}_{0}}=1.10$ G/kHz (which is zero shift by convention). We suggest that the latter value is characteristic for Pt nuclei in a metallic environment at or near a clean surface.
Small animal optical diffusion tomography with targeted fluorescence (2013)

Despite the broad impact in medicine that optics can bring, thus far practical approaches are limited to weak scatter or near-surface monitoring. We show a method that utilizes a laser topography scan and a diffusion equation model to describe the photon transport, together with a multiresolution unstructured grid solution to the nonlinear optimization measurement functional, that overcomes these limitations. We conclude that it is possible to achieve whole body optical imaging with a resolution suitable for finding cancer nodules within an organ during surgery, with the aid of a targeted imaging agent.
Enantioselektive Synthese von Altohyrtin C (Spongistatin 2): Synthese des EF‐Bis‐(tetrahydropyran)‐Fragments (1997)

Die erste Totalsynthese eines Spongipyran‐Makrolids , des Altohyrtins C (Spongistatin 2; siehe unten), wurde erfolgreich abgeschlossen. Die aus Meeresschwämmen isolierten Spongipyrane gehören zu den stärksten cytotoxischen Verbindungen und wirken gegen mehrere menschliche Krebszellinien. Während die vorgeschlagenen Strukturen für die unabhängig isolierten Altohyrtine und Spongistatine im wesentlichen gleich sind, unterscheiden sie sich in der relativen Konfiguration der Untereinheiten. Durch die Totalsynthese wurde nun die vorgeschlagene Struktur der Altohyrtine bestätigt und nachgewiesen, daß Altohyrtin C und Spongistatin 2 identisch sind. magnified image
Shortest paths and probabilities on time-dependent graphs &#x2014; Applications to transport networks (2011)

In this paper, we focus on time-dependent graphs which seem to be a good way to model transport networks. In the first part, we remind some notations and techniques related to time-dependent graphs. In the second one, we introduce new algorithms to take into account the notion of probability related to paths in order to guarantee travelling times with a certain accuracy. We also discuss different probabilistic models and show the links between them.
Vibrotactile Coordinated Reset Stimulation for the Treatment of Neurological Diseases: Concepts and Device Specifications (2017)

Coordinated reset stimulation (CRS) consists of spatiotemporal sequences of stimuli delivered to different sites in the brain. Computationally, it was shown that by achieving an unlearning of abnormal synaptic connectivity, CRS can cause a long-lasting reduction of pathological synchronization, a hallmark feature of Parkinson's disease and other brain disorders. Pre-clinical and proof of concept clinical studies in parkinsonian monkeys and patients showed that CRS applied through deep brain stimulation electrodes implanted in the subthalamic nucleus resulted in cumulative and long-lasting therapeutic effects along with a reduction of beta band oscillations. To apply CRS noninvasively by vibrotactile stimulation delivered to different fingertips, we present three different possible stimulation concepts. These different CRS approaches target different mechanoreceptors and related stimulus mechanisms. The different approaches are based on the diverse physiology of mechanoreceptors and dynamic CRS principles. Required stimulation parameters and specifications provide a guideline for technically implementing vibrotactile CRS during clinical tests.