gebhart/patrepeval huggingface dataset:
Highly luminescent silica-coated CdS/CdSe/CdS nanoparticles with strong chemical robustness and excellent thermal stability (2017)

We present facile synthesis of bright CdS/CdSe/CdS@SiO<sub>2</sub> nanoparticles with 72% of quantum yields (QYs) retaining ca 80% of the original QYs. The main innovative point is the utilization of the highly luminescent CdS/CdSe/CdS seed/spherical quantum well/shell (SQW) as silica coating seeds. The significance of inorganic semiconductor shell passivation and structure design of quantum dots (QDs) for obtaining bright QD@SiO<sub>2</sub> is demonstrated by applying silica encapsulation via reverse microemulsion method to three kinds of QDs with different structure: CdSe core and 2 nm CdS shell (CdSe/CdS-thin); CdSe core and 6 nm CdS shell (CdSe/CdS-thick); and CdS core, CdSe intermediate shell and 5 nm CdS outer shell (CdS/CdSe/CdS-SQW). Silica encapsulation inevitably results in lower photoluminescence quantum yield (PL QY) than pristine QDs due to formation of surface defects. However, the retaining ratio of pristine QY is different in the three silica coated samples; for example, CdSe/CdS-thin/SiO<sub>2</sub> shows the lowest retaining ratio (36%) while the retaining ratio of pristine PL QY in CdSe/CdS-thick/SiO<sub>2</sub> and SQW/SiO<sub>2</sub> is over 80% and SQW/SiO<sub>2</sub> shows the highest resulting PL QY. Thick outermost CdS shell isolates the excitons from the defects at surface, making PL QY relatively insensitive to silica encapsulation. The bright SiO<sub>2</sub>-coated SQW sample shows robustness against harsh conditions, such as acid etching and thermal annealing. The high luminescence and long-term stability highlights the potential of using the SQW/SiO<sub>2</sub> nanoparticles in bio-labeling or display applications.
Synthesis and Conduction Properties of New Na+-conducting Glass-ceramics of Sodium Yttrium Silicophosphate (1989)

Abstract Na+ superion conducting glass-ceramics were obtained in the system Na2O–Y2O3–P2O5–SiO2. The compounds with the crystal structure of Na5YSi4O12 was found to be the most conductive and exhibit the ionic conductivity as 8.0 × 10−2 S/cm at 300 °C with the activation energy of 22.8 kJ/mol.
Markerbasiertes Online Kalibrierverfahren für die CT-Rekonstruktion. (2010)

Kurzfassung. Das etablierte Verfahren der Offline-Geometriekalibrierung ist bei mechanisch sehr flexiblen Rontgensystemen oftmals problematisch. Durch unregelmasige, geometrische Abweichungen der 3DAufnahmebahn bezuglich der Aufnahmebahn der Offline-Kalibrierung kommt es zu einer Verringerung der Bildqualitat der CT-Aufnahmen. Um die Bildqualitat auf diesen Systemen zu verbessern wird vorgeschlagen eine zusatzliche Aktualisierung der Geometrieinformation in jeder einzelnen Patientenaufnahme durchzufuhren. Das hier implementierte Verfahren benotigt wenige kugelformige Marker, deren detektierte Projektionen in den Rontgenbildern mit den jeweiligen Rontgenquellenpositionen Strahlen definieren, deren Quasi-Schnittpunkte die 3D Positionen der Marker im Raum ergeben. Es wird vorgeschlagen, die Aufnahmegeometrie so zu korrigieren, dass sich eine Ruckprojektion der 3DMarkerpositionen moglichst genau mit den im Bild gefundenen Markerpunkten uberdeckt. Tests an simulierten und realen Datensatzen zeigen, dass die Projektionsbildabweichung um min. 79% reduziert werden kann.
A Multiphysics Theory for the Static Contact of Deformable Conductors With Fractal Rough Surfaces (2015)

In this paper, we present a multifield and multiscale theory leading to derivations of electric and thermal conductivities for the interface between two rough surfaces in contact, activated by mechanical load and electric current pulses. At the macroscale, the proposed approach involves multifield coupling of conduction and induction currents, with heat conduction induced by joule heating. The structural mechanics of the conducting materials are also considered. At the mesoscale and microscale, the theory contains a Weierstrass-Mandelbrot description of the rough contact surface profilometry and an asperity-based comprehensive model, respectively. They are both combined to derive homogenized macroscale properties for the interface boundary. The mechanical pressure and the repulsion effect from electric current through the microcontacts are accounted for as well. The results of the numerical analysis illustrate the dependence of the derived properties on the surface characteristics, external load, and electric current. Finally, the entire framework is applied to an actual conductor configuration of hollow cylinders under compression and a high current pulse to demonstrate the feasibility of the entire approach. In addition to providing typical simulation results for all selected fields present during the experiment, we also provide a comparison between the experimentally acquired resistance and the numerically derived resistance to validate the contact theory.
Design optimization of an 8 W, microscale, axial-flux, permanent-magnet generator (2006)

This paper presents the design optimization and characterization of a microscale, permanent-magnet (PM) generator, capable of supplying 8 W of dc power to a resistive load at a rotational speed of 305 000 rpm. The generator is a three-phase, axial-flux, PM machine, consisting of a stator with Cu surface windings and a multi-pole SmCo PM rotor. Optimization of the machine geometries has enabled a 30% improvement in power density (for the same rotational speed) over a previously reported machine. Furthermore, these design improvements, in combination with higher rotational speeds, have enabled a >7× improvement in total output power and a net power density of 59 W cm−3.
Prediction and Improvement of Aircraft Cabin Acoustics using Statistical Energy Analysis and Sound Quality Evaluation (2021)

Aircraft interior acoustic design is a key influencer for cabin comfort. An essential part of the design is optimization of acoustic insulation systems under weight restrictions to create a pleasant environment for human ear. Considering the complexity of aircraft geometry, noise sources, and transfer paths, computational prediction techniques become invaluable tools for increasing the accuracy in material selection while reducing design time and costs. In this study, a procedure that integrates sound quality evaluation with Statistical Energy Analysis (SEA) to design aircraft acoustic insulation systems is described. SEA is employed to predict the cabin sound pressure levels of a narrow body aircraft insulated with sound absorption and vibration damping materials. Aircraft cabin including under-floor sections is modelled based on 3D airframe and VIP style interior design and the model is validated with flight test data. Transfer functions obtained from SEA model for selected transfer paths are utilized to filter the noise signal recorded with a binaural recording system during flight. Sound quality metrics are computed in order to map perceptive response. An iterative process is introduced to improve acoustic design by investigating the effects of different sound insulation systems and room absorption values on noise levels and sound quality metrics.
Editorial: NAD+ metabolism as a novel target against infection–Volume II (2022)

Editorial on the Research Topic NAD+ metabolism as a novel target against infection-Volume II Fundamental discoveries in the history of science, including research from four Nobel laureates, have identified the pyrimidine nucleotide, nicotinamide adenine dinucleotide (NAD+) as an essential metabolite and the most important cross-kingdom electron carrier. While a wealth of scientific studies in the last century have highlighted the important role of NAD+ in cellular energy generation and redox biology, recent studies have provided evidence for the paramount importance of the non-redox functions of NAD+. Alteration in intracellular NAD+ concentrations is critical in several pathological conditions, including but not limited to neurodegenerative diseases, cancer, diabetes, ischemia injury, dysmetabolic diseases, and inflammatory disorders. Recent advances in our understanding of the biological functions of NAD+-consuming enzymes and the role of NAD+ biosynthetic routes have shown that targeting NAD+ metabolism has very promising potential for therapeutic treatment of infectious diseases. Bacterial resistance to antibiotics is considered one of the greatest threats to human health. Cases of antibiotic resistance are constantly emerging, and the time needed for bacteria to become resistant to newly introduced antibiotics, is getting shorter. Therefore, it is crucial to identify antimicrobials with new mechanism of action to use as therapeutic tools. In this context, modulation of host NAD+ metabolism by the activation or inhibition of key enzymes could influence NAD+ signaling pathways in pathogens and their ability to colonize host cells. Further, the discovery of the enzymes involved in NAD+ turnover in the host during infection could increase our knowledge of bacterial pathogenesis and may be relevant for the development of targeted drug therapies against antibiotic resistant bacteria. However, detailed mechanisms by which NAD+ acts as a regulator and how we can target NAD+ metabolism during microbial infections is still poorly understood.
Phase unwrapping of MR phase images using Poisson equation (1995)

The authors have developed a technique based on a solution of the Poisson equation to unwrap the phase in magnetic resonance (MR) phase images. The method is based on the assumption that the magnitude of the inter-pixel phase change is less than pi per pixel. Therefore, the authors obtain an estimate of the phase gradient by "wrapping" the gradient of the original phase image. The problem is then to obtain the absolute phase given the estimate of the phase gradient. The least-squares (LS) solution to this problem is shown to be a solution of the Poisson equation allowing the use of fast Poisson solvers. The absolute phase is then obtained by mapping the LS phase to the nearest multiple of 2 K from the measured phase. The proposed technique is evaluated using MR phase images and is proven to be robust in the presence of noise. An application of the proposed method to the 3-point Dixon technique for water and fat separation is demonstrated.
Pain hypersensitivity is dependent on autophagy protein Beclin 1 in males but not females (2023)

ABSTRACT Chronic pain is a pervasive health, social, and economic problem affecting 1 in 5 individuals around the world. Increasingly, it is understood that alterations in fundamental cell biological processes are critical for chronic pain. A prominent cellular process is autophagy but whether it plays a role in pain is unknown. To investigate whether autophagy is involved in pain processing and is targetable for pain relief, we focused on Beclin 1, a component of the class III phosphatidylinositol 3-kinase (PI3K) complex necessary for initiating autophagy. Here, we found that inflammatory pain hypersensitivity in male mice lacking one allele of Becn1 is significantly greater than that in wild type mice. By contrast, in female mice, loss of Becn1 did not affect inflammation-induced pain hypersensitivity. Further, intrathecal delivery of an activator of Beclin 1, tat-beclin 1, reversed mechanical hypersensitivity induced by peripheral inflammation or peripheral nerve injury in males. Tat-beclin 1 also prevented mechanical hypersensitivity induced by exogenous brain-derived neurotrophic factor (BDNF), a core mediator of inflammatory and neuropathic pain in the spinal dorsal horn in males. Pain signaling pathways converge on enhancement of N -methyl-D-aspartate receptors (NMDARs) in spinal dorsal horn neurons. We found that loss of Beclin 1 increases expression of the pain-critical NMDAR subunit, GluN2B, in the dorsal horn and upregulates synaptic NMDAR-mediated currents in dorsal horn neurons from males but not females. From our converging lines of evidence, we conclude that inhibition of Beclin 1 in the dorsal horn is critical in mediating inflammatory and neuropathic pain signaling pathways in males. Our findings provide the basis for sex-specific therapeutic approaches targeting pain with a new class of analgesics - activators of Beclin 1.
High Power Resonantly-Diode-Pumped Fiber Laser Based on Er-Nanoparticle-Doped Fiber (2018)

We report ~140 W of power from the laser based on Er-nanoparticle-doped fiber with direct diode pumping at 1528 nm. This is believed to be the highest power ever reported from resonantly diode-pumped Er-fiber laser.
Applications of 17O NMR Spectroscopy to Structural Problems in Rigid, Planar Organic Molecules (2020)

This chapter concentrates on O nuclear magnetic resonance studies of rigid, planar systems, work that was ongoing in our laboratories concurrent with our torsion angle studies. A theory was developed that suggested, in part, that the net deshielding effect was the result of a contraction of the orbitals on the resonant nucleus, due to repulsive van der Waals interactions, leading to a corresponding increase in the r–3 term of the paramagnetic expression of the Karplus-Pople equation. The analysis of the effects of structural variation on single bonded oxygen atoms is not well-documented. The effects appear to be larger than earlier thought. It also seems probable that the oxygen of the donor for intramolecular hydrogen-bonding experiences deshielding. The effect of substituents on the O chemical shifts for the 3-substituted phthalic anhydrides and 7-substituted phthalides were similar, both experiencing a comparable magnitude of deshielding in relationship to the respective parent molecules.
A preliminary numerical study of a swirling jet behind a circular disc (2008)

The three-dimensional flow fields behind a circular disc produced by an annular swirling jet alone and by an annular swirling jet with a central jet issuing from the disc centre are studied by solving the three-dimensional incompressible Navier—Stokes equations numerically using the solution algorithm of Hirt et al. ( Los Alamos Scientific Lab. Rept. LA-5852 (1970)). The swirl number and the Reynolds number based on the disc diameter and the volumetric mean axial velocity of the annular swirling jet are S=0.194 and Re=656, respectively. The convective and diffusive terms in the governing equations are discretized using the second-order central difference scheme. The resulting discretized equations are advanced in time using the second-order Runge—Kutta scheme. The simulation shows that the flow field behind the circular disc exhibit periodic oscillating behaviour, with the second case having a higher frequency due to the presence of the central jet. The mechanism responsible for this oscillating behaviour is identified and discussed. An analysis of the mean velocity fields in the mid-plane shows the existence of a stagnation point on the axis of symmetry in the first case and two saddle points off the axis of symmetry in the second case.
Thermodynamics of Addition of H2, CO, N2, and C−H Bonds to M(PiPr3)2Cl (M = Ir, Rh). An Unprecedented Metal−Carbonyl Bond Strength (1998)

The thermodynamics of interconversion of various complexes containing the unit IrL*2Cl (L* = P(iPr)3) have been investigated by calorimetry and equilibrium measurements. These complexes span a wide range of configurations including four- and five-coordinate d8 (IrL*2ClL‘, IrL*2Cl(CO)2) and five- and six-coordinate d6 (IrL*2ClRH and IrL*2ClRH(CO)). On the basis of kinetic experiments, a lower limit to the Ir−N2 bond dissociation enthalpy (BDE) of IrL*2Cl(N2) has been determined (36 kcal/mol). Using this value as an “anchor”, in conjunction with the relative addition enthalpies obtained calorimetrically, it is possible to derive lower limits for the absolute exothermicities of H2 (48 kcal/mol) and CO (72 kcal/mol) addition to IrL*2Cl; estimates can also be made for the addition of benzene and acetylene C−H bonds. These values are unusually high; indeed, the magnitude of the Ir−CO BDE is unprecedented. In addition, kinetic methods have been used to determine a lower limit of 29 kcal/mol to the Rh−N2 BDE of RhL*2Cl(N2). Combined with previous calorimetric measurements on rhodium complexes, this value permits the calculation of lower limits to the absolute exothermicities of addition to RhL*2Cl for numerous small molecules including H2, CO, N2, C2H4, and aldehydic C−H bonds. The results of electronic structure calculations (approximate DFT; PMe3 used to model PiPr3) are in excellent agreement with the relative experimental enthalpies, while the absolute values calculated for addition to IrL2Cl are significantly greater than the experimentally determined lower limits. Addition of a methane C−H bond is calculated to be significantly less favorable than addition of benzene or acetylene C−H bonds, in accord with the fact that IrL*2Cl(alkyl)H complexes have not been reported. The significant differences in the enthalpies of addition for these three types of C−H bonds are briefly analyzed.
New Concepts on the Pathogenesis of Fever (1988)

For more than 50 years, experimental studies on fever have focused on a substance from leukocytes called leukocytic or endogenous pyrogen. Various investigators concluded that changes associated with infection--such as numbers of circulating leukocytes; levels of trace metals, amino acids, and hepatic proteins; and altered lymphocyte function--were also caused by endogenous leukocyte mediators. There was reasonable evidence that fever and these other changes were brought about through the action of a single endogenous pyrogen, now known as interleukin 1 (IL-1). Two forms of IL-1 have been cloned (IL-1 beta and IL-1 alpha), and studies of recombinant IL-1 preparations have confirmed that fever and the broad spectrum of host responses to infection and injury are indeed mediated by this substance. However, IL-1 is not the only leukocyte product that induces fever: tumor necrosis factor (cachectin) and interferon produce fever in humans and animals. Accordingly, the concept of a single endogenous pyrogen now requires modification. Nature has conferred the ability to produce fever on no fewer than three structurally distinct molecules. Investigators trying to determine what triggers the hypothalamus to initiate fever in a particular disease must now consider these three endogenous pyrogens, either alone or together, as mediators of fever.
Improving Light Extraction Efficiency of (Al<sub>x</sub>Ga<sub>1-x</sub>)<sub>0.5</sub>In<sub>0.5</sub>P-Based Flip-Chip Light-Emitting Diode with a Geometric Sapphire Shaping Structure (2008)

2008 International Conference on Solid State Devices and Materials,Improving Light Extraction Efficiency of (Al<sub>x</sub>Ga<sub>1-x</sub>)<sub>0.5</sub>In<sub>0.5</sub>P-Based Flip-Chip Light-Emitting Diode with a Geometric Sapphire Shaping Structure
Quantitative input-output dynamics of a c-di-GMP signal-transduction cascade in Vibrio cholerae (2021)

Abstract Bacterial biofilms are multicellular communities that collectively overcome environmental threats and clinical treatments. To regulate the biofilm lifecycle, bacteria commonly transduce sensory information via the second-messenger molecule cyclic diguanylate (c-di-GMP). Using experimental and modeling approaches, we quantitatively capture c-di-GMP signal transmission via the bifunctional polyamine receptor NspS-MbaA, from ligand binding to output, in the pathogen Vibrio cholerae . Upon binding of norspermidine or spermidine, NspS-MbaA synthesizes or degrades c-di-GMP, respectively, which in turn, drives alterations specifically to biofilm gene expression. A longstanding question is how output specificity is achieved via c-di-GMP, a diffusible molecule that regulates dozens of effectors. We show that NspS-MbaA signals locally to specific effectors, sensitizing V. cholerae to polyamines. However, local signaling is not required for specificity, as changes to global cytoplasmic c-di-GMP levels can selectively regulate biofilm genes. This work establishes the input-output dynamics underlying c-di-GMP signaling, which could be useful for developing bacterial manipulation strategies.
Abstract 5183: Identification and characterization of wild type kinases driving prostate cancer metastasis (2015)

Abstract Despite numerous oncogenic alterations implicated in metastatic prostate cancer, mutations or DNA amplifications of kinases are rare. We previously demonstrated that 1) expression of wild type (wt) Src in combination with the androgen receptor synergizes to produce aggressive prostate adenocarcinoma, 2) tyrosine phosphorylation increases with prostate cancer stage, and 3) the phosphoproteomic profile of metastatic prostate cancer is different from localized disease. However, the question still remains as to whether wt kinases can drive prostate cancer metastasis and should be regarded as therapeutic targets. To identify wt kinases driving prostate cancer metastasis, we performed phospho-tyrosine, threonine and serine peptide enrichment and quantitative mass spectrometry on metastatic prostate cancer tissues obtained at rapid autopsy. Analysis of this phosphoproteomic dataset combined with bioinformatic analyses of genomic datasets identified ∼140 kinases differentially expressed or activated in prostate cancer metastases. To determine which of these kinases function to promote prostate cancer metastasis, we developed an in vitro and in vivo metastasis screen. Out of 140 kinases, 20 kinases promote resistance to anoikis in vitro and metastatic colonization in vivo. Positive kinases include Src, Lyn, and EGFR which have been previously reported to be important in prostate cancer metastasis and thus provide strength to the validity of our screen. In addition we identified kinases with uncharacterized roles in prostate cancer metastasis and of particular interest, several of these kinases promote bone metastasis. We expect our findings will improve our understanding of the mechanistic role of kinase activation in prostate cancer and identify promising new therapeutic targets for metastatic disease. Citation Format: Claire Faltermeier, Justin Drake, Peter Clark, Bryan Smith, Colleen Mathis, Yang Zong, Carmen Volpe, Owen Witte. Identification and characterization of wild type kinases driving prostate cancer metastasis. [abstract]. In: Proceedings of the 106th Annual Meeting of the American Association for Cancer Research; 2015 Apr 18-22; Philadelphia, PA. Philadelphia (PA): AACR; Cancer Res 2015;75(15 Suppl):Abstract nr 5183. doi:10.1158/1538-7445.AM2015-5183
On the Capacity of Index Modulation (2022)

Index modulation represents the transmitted information in two parts: by selecting a subset of available transmission dimensions (antennas, sub-carriers, or time-slots) whose selection index carries information, and by modulation symbols transmitted in the selected dimensions. Index modulation is motivated by reducing the transmitter hardware complexity and has attracted significant research attention in the past decade. In practice, knowing the spectral efficiency or capacity is essential for setting the parameters of modulation and coding for index modulation, but approximations and bounds thus far have not been accurate enough for that purpose. We calculate close lower and upper bounds for the spectral efficiency of index modulation. Our lower and upper bounds meet at high-SNR when the number of receive antennas is greater than or equal to the number of transmit antennas, thus the high-SNR capacity of index modulation in these cases has been fully characterized. A catalog of results is provided for spatial modulation, generalized spatial modulation, time and frequency index modulation. Extensive simulations illustrate the usefulness and accuracy of our results. For example, for spatial modulation with <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$4\times 2$ </tex-math></inline-formula> antennas at 8 bits/s/Hz, our results are 2dB tighter than the best available bounds in the literature.