gebhart/patrepeval huggingface dataset:
A Study on the Relationship between the Twisted π-Conjugate System of 1,5-Diaryl-1,5-diazapenta-1,3-dienes and Their Photophysical Properties (2012)

Abstract One-pot treatment of commercially available 1,3,3-tributoxy-2-cyanopropene with 2 equivalents of primary aromatic amines readily afforded 1,5-diaryl-1,5-diaza-3-cyanopenta-1,3-dienes. UV properties varied as steric size of the ortho-substituent in the N-aryl units increased. X-ray crystallographic analyses indicated preferable conformation of these compounds, and the twist angles between 1,5-diazapentadiene and aromatic units were measured. The relationship between the twisted angles and UV absorptions was rationalized by MO calculation, and the UV peak wavelengths are useful for the estimation of the twisted angles. A novel tetracoordinate diaryl-1,5-diazapentadiene was prepared. UV spectrum for its lithium complex in CHCl3 supported that the complex had a twisted conformation of the aryl units because the two etharial oxygen atoms coordinated to lithium cation.
Deformation Measurements on Thin Clay Tactoids (2009)

Applying a synthetic fluorohectorite that shows giant lateral extensions, a microscopic bending test is performed using atomic force microscopy (see image). Due to the significantly weaker bonding strength between neighboring lamellae along the stacking direction, the C33 elastic constant of synthetic Na0.5-fluorohectorite is found to be lower than those reported for micas, which falls within the expected trend.
Spruce Needle Polyprenols Protect Against Atorvastatin-Induced Muscle Weakness and do not Influence Central Nervous System Functions in Rats (2016)

Abstract Polyprenols (PPs) have been identified in almost all living organisms. The richest source of PPs is the needles of conifer trees. Endogenously, PPs, similarly to cholesterol, are synthesised in human and animal cells via the mevalonate pathway. Previous studies have demonstrated the anti-oxidant properties of PPs. To our knowledge, no studies have been published on the influence of PPs on muscle strength. We hypothesised that administration of PPs could prevent changes in muscle functioning caused by statins (weakness, etc.). In the present study, atorvastatin (80 mg/kg) was used as a model compound. PPs at doses 1, 10 and 20 mg/kg were administered. Both drugs were given per os for 16 days. The influence of atorvastatin, PPs and their combination on behaviour, muscle strength, plasma cholesterol and creatine kinase activity was assessed in female Wistar rats. Our data demonstrated that atorvastatin considerably impaired muscle strength, whereas PPs protected that effect. Neither PPs, nor atorvastatin influenced plasma cholesterol levels, whereas PPs at dose 20 mg/kg elevated creatine kinase activity by about 25%. PPs at the tested doses did not alter behaviour, indicating safety of central nervous system functions. The obtained data suggest usefulness of PPs as a complement in statin therapy to reduce muscle-related side effects.
Holistic computational design within additive manufacturing through topology optimization combined with multiphysics multi-scale materials and process modelling (2023)

Additive manufacturing (AM) processes have proven to be a perfect match for topology optimization (TO), as they are able to realize sophisticated geometries in a unique layer-by-layer manner. From a manufacturing viewpoint, however, there is a significant likelihood of process-related defects within complex geometrical features designed by TO. This is because TO seldomly accounts for process constraints and conditions and is typically perceived as a purely geometrical design tool. On the other hand, advanced AM process simulations have shown their potential as reliable tools capable of predicting various process-related conditions and defects hence serving as a second-to-none material design tool for achieving targeted properties. Thus far, these two geometry and material design tools have been traditionally viewed as two entirely separate paradigms, whereas one must conceive them as a holistic computational design tool instead. More specifically, AM process models provide input to physics-based TO, where consequently, not only the designed component will function optimally, but also will have near-to-minimum manufacturing defects. In this regard, we aim at giving a thorough overview of holistic computational design tool concepts applied within AM. The paper is arranged in the following way: first, literature on TO for performance optimization is reviewed and then the most recent developments within physics-based TO techniques related to AM are covered. Process simulations play a pivotal role in the latter type of TO and serve as additional constraints on top of the primary end-user optimization objectives. As a natural consequence of this, a comprehensive and detailed review of non-metallic and metallic additive manufacturing simulations is performed, where the latter is divided into micro-scale and deposition-scale simulations. Material multi-scaling techniques which are central to the process-structure-property relationships, are reviewed next followed by a subsection on process multi-scaling techniques which are reduced-order versions of advanced process models and are incorporable into physics-based TO due to their lower computational requirements. Finally the paper is concluded and suggestions for further research paths discussed.
Self-aligned graphene on silicon substrates as ultimate metal replacement for nanodevices (2016)

We have pioneered a novel approach to the synthesis of high-quality and highly uniform few-layer graphene on silicon wafers, based on solid source growth from epitaxial 3C-SiC films [1,2]. The achievement of transfer-free bilayer graphene directly on silicon wafers, with high adhesion, at temperatures compatible with conventional semiconductor processing, and showing record- low sheet resistances, makes this approach an ideal route for metal replacement method for nanodevices with ultimate scalability fabricated at the wafer –level.
Creating Body Shapes From Verbal Descriptions by Linking Similarity Spaces (2016)

Brief verbal descriptions of people's bodies (e.g., "curvy," "long-legged") can elicit vivid mental images. The ease with which these mental images are created belies the complexity of three-dimensional body shapes. We explored the relationship between body shapes and body descriptions and showed that a small number of words can be used to generate categorically accurate representations of three-dimensional bodies. The dimensions of body-shape variation that emerged in a language-based similarity space were related to major dimensions of variation computed directly from three-dimensional laser scans of 2,094 bodies. This relationship allowed us to generate three-dimensional models of people in the shape space using only their coordinates on analogous dimensions in the language-based description space. Human descriptions of photographed bodies and their corresponding models matched closely. The natural mapping between the spaces illustrates the role of language as a concise code for body shape that captures perceptually salient global and local body features.
Electron density distribution and crystal structure of Ca 1- x/2 AlSi(N 3- x O x ):Eu 2+ ( x ∼ 0.11) (2011)

Crystal structure of Ca 1- x/2 AlSi(N 3- x O x ):Eu 2+ ( x ∼ 0.11) has been characterized using an X-ray powder diffractometer and a transmission electron microscope equipped with an energy dispersive X-ray analyzer (EDX) and an electron energy loss spectrometer (EELS). The title compound is orthorhombic with space group Cmc 2 1 , Z = 4, unit-cell dimensions a = 0.979780(7) nm, b = 0.565197(4) nm, c = 0.506356(3) nm, and V = 0.280404(3) nm 3 . The atom ratio Al:Si was determined to be 1:1 by EDX, and the presence of O atoms in the crystal structure was confirmed by EELS. The x -value and the atomic coordinates of the final structural model were determined by the Rietveld method. The maximum-entropy methods-based pattern fitting (MPF) method was used to confirm the validity of the structural model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from MPF are R wp = 9.18%, S = 1.17, R p = 6.77%, R B = 1.91%, and R F = 0.86%. Atomic arrangements of the final structural model are in an excellent agreement with the three dimensional electron-density distributions determined by MPF.
Publisher’s Note: Search for ultrahigh energy neutrinos in highly inclined events at the Pierre Auger Observatory [Phys. Rev. D84, 122005 (2011)] (2012)

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Pharmacokinetic analysis of targeted nanonubbles for quantitative assessment of PSMA expression in prostate cancer (2019)

Despite showing promise, the sensitivity of contrast enhanced ultrasound (CEUS) for prostate cancer diagnosis is still limited. The introduction of novel microbubbles (MBs) targeted to the vascualar endhotelial growth receptor factor 2 has opened new possibilites for molecular imaging of prostate cancer. However, the detection rate in a phase-0 clinical trial was still limited to 65%. More effective contrast agents are needed to improve diagnostic accuracy. Recently, ultrasound nanobubbles (NBs) are emerging as promising agents for improved cancer diagnostics and therapy. Thanks to their reduced diameter, which is about 10 times smaller than MBs, they can cross the vascular endhotelium, providing greater possibilities for targeted imaging and therapy, including targets no longer limited to the vessel wall. In this context, a long-circulating NB targeted to the prostate-specific membrane antigent (PSMA) was recently developed, showing promise for selective accumulation in tumors expressing PSMA. In this work, we propose pharmacokinetic modeling of the kinetics of PSMA-targeted NBs by the simplified reference tissue model. While this model has been originially developed for receptor kinetic studies in nuclear medicine, it is here adapted for CEUS, enabling quantitative assessment of PSMA expression by estimation of the binding potential BP. The model is validated by comparing the estimated binding parameter obtained for three different US contrast agents (conventional MBs, non-targeted NBs, and PSMA-targeted NBs) in a dual tumor mouse model, carrying a PSMA-positive tumor in one flank, and a PSMA-negative tumor in the other flank.
Template-directed primer extension catalyzed by the Tetrahymena ribozyme. (1991)

The Tetrahymena ribozyme has been shown to catalyze an RNA polymerase-like reaction in which an RNA primer is extended by the sequential addition of pN nucleotides derived from GpN dinucleotides, where N = A, C, or U. Here, we show that this reaction is influenced by the presence of a template; bases that can form Watson-Crick base pairs with a template add as much as 25-fold more efficiently than mismatched bases. A mutant enzyme with an altered guanosine binding site can catalyze template-directed primer extension with all four bases when supplied with dinucleotides of the form 2-aminopurine-pN.
Homologous T and B cells immortalized in vitro by the Epstein-Barr virus exhibit differential genetical and functional features (1997)

After in vitro EBV infection of peripheral blood lymphocytes (PBL), we previously obtained IL-2-independent T-cell lines expressing EBNA1 and LMP1 viral latent genes. One tumorigenic clone, NC5, was further characterized for chromosomal abnormalities, rearrangement and expression of oncogenes, and constitutive or induced activation of cellular transduction pathways. NC5 as well as TC cells derived from an NC5-induced tumor exhibited the same few chromosomal abnormalities absent in normal PBL and B-cell lines (LCLs) from the same donor. No rearrangement or altered expression of C-MYC, BCL-2 and NF-KB2 oncogenes could be detected. In contrast, we found high levels of BCL-X and thioredoxin (TRX), as markers of EBV infection or T-cell activation/transformation status. No constitutive activation of NF-kappa B or STAT transcriptional complexes was observed in these cells. For NF-kappa B, this was in apparent contradiction with its reported inducibility mediated by LMP1, taking into account that NF-kappa B was still inducible by TNF alpha or PMA and ionomycin. Our results highlight independence of EBV protein-mediated transformation towards classical cellular pathways in T-lymphocytes.
A family of optimized LMS-based algorithms for system identification (2016)

The performance of the least-mean-square (LMS) algorithm is governed by its step-size parameter. In this paper, we present a family of optimized LMS-based algorithms (in terms of the step-size control), in the context of system identification. A time-variant system model is considered and the optimization criterion is based on the minimization of the system misalignment. Simulations performed in the context of acoustic echo cancellation indicate that these algorithms achieve a proper compromise in terms of fast convergence/tracking and low misadjustment.
Progress of display performances: AR, VR, QLED, and OLED (2020)

In 2019, the device performances of the display technologies were largely advanced by the development of new materials and of the device architecture and driving scheme. The recent progress in the areas of virtual reality (VR), augmented reality (AR), quantum dot light-emitting diode (QLED), and organic light-emitting diode (OLED) is comprehensively summarized and discussed in this paper.
Full digital control of a single-phase series-parallel uninterruptible power supply (2004)

In this paper, a new digital deadbeat controller is designed, implemented, and applied to a single-phase series-parallel line-interactive uninterruptible power supply (UPS). In this topology, most of the power is supplied directly from the AC line to the load. Therefore, the overall efficiency is higher than that of the conventional on-line UPS. Current and voltage control of the system in different operating modes are discussed. Simulation and experimental results are presented, which show the viability of the proposed controller for this topology.
Structure and Ferroelectric Properties of Nanoimprinted Poly(vinylidene fluoride-ran-trifluoroethylene) (2013)

Nanoimprint lithography (NIL) was used to shape thin films of a ferroelectric copolymer of vinylidene fluoride and trifluoroethylene (PVDF-TRFE), using a variety of molding shapes and imprinting conditions. The morphology of the layers was characterized by atomic force microscopy (AFM), and preferential orientation of the crystallographic axes was monitored by infrared microspectroscopy; in addition, the local ferroelectric properties were obtained by piezoresponse force microscopy (PFM). When the sample is imprinted in its paraelectric phase in conditions leading to complete confinement, in cavities of size lower than the natural lamellar length observed in a continuous thin film, the crystallographic a axis aligns preferentially parallel to the substrate, and the crystalline lamellae are of significantly reduced length. These characteristics translate in a strongly decreased coercive field and accelerated ferroelectric switching, which is in part ascribed to the improved coupling between the electric field and the properly oriented dipole moments. When decreasing the confinement either by leaving a residual film connecting the nanopillars, or by increasing the lateral size of the nanopillars above the natural lamellar length, or by using line molds where confinement only exists in one direction, or by using continuous films, the preferential orientation becomes less visible and the lamellar length increases, resulting in increased coercive and switching fields. Interestingly, the average length of the crystalline lamellae tends to correlate with the value of the coercive field. Finally, if the sample is imprinted in the melt, a flat-on setting of the crystalline lamellae ensues, with a vertical chain axis which is unfavorable for ferroelectric properties probed with a vertical electric field.
The iron content of finger-nails in iron deficient patients (1987)

The content of S, Ca, Fe, Cu and Zn in the finger-nails of 17 women with iron deficiency was examined by X-ray microanalysis and compared with that of 17 healthy women. The values for all these elements were similar in both groups. The distribution curve for iron was also similar in both patients and controls. There was no correlation between the iron content of the finger-nails and the serum iron or haemoglobin levels. It is suggested that the iron content of the finger-nails in iron deficient patients does not reflect their iron status.
High Altitude Ataxia—Its Assessment and Relevance (2011)

Ataxia at altitude is reviewed in relation to acute mountain sickness (AMS). The cause of ataxia occurring at altitude is unknown but may be hypoxia affecting basal ganglia and hindbrain activity. Ataxia is an important sign of high altitude cerebral edema (HACE) but is less well-established as a clinical feature of AMS. Assessment of ataxia is part of the Environmental Systems and the Lake Louise questionnaires, together with a heel-to-toe measurement. More precise measures of ataxia include the Sharpened Romberg Test (SRT) and the use of unstable platforms. Isolated ataxia at altitude may not be related to AMS or HACE. Age affects ataxia and careful baseline measurements are essential in older subjects before results at high altitude can be interpreted. Testing for ataxia needs to be standardized with sufficient learning time. Ataxia should be distinguished from weakness or fatigue occurring at altitude. Specialized tests have not been shown to be clinically important. Our results above 5000 m showed that an abnormal SRT may be specific for AMS but with relatively poor sensitivity. Wobble board results have not correlated with AMS scores consistently. Other authors using an unstable platform in a chamber and static posturography during 3 days of exposure to 4559 m also found no relationship with AMS scores. Ataxia is a common and important clinical feature of HACE but is unhelpful in the assessment of mild or even moderate AMS in the absence of an altered mental state. The simple heel-to-toe test remains a useful part of the assessment of more severe AMS bordering on HACE.
NKTR-061 (inhaled amikacin) delivers high lung doses in mechanically ventilated patients with pneumonia and in healthy subjects (2008)

Intravenous antibiotics (AB) have a clinical cure rate of ~55% in mechanically ventilated patients (MVP) with pneumonia. AB inhalation delivers larger lung doses than intravenous AB, but is problematic in MVP due to inefficient and variable current delivery systems. NKTR-061, a proprietary amikacin (AMK) aerosolization system optimized for ventilator circuits, is in clinical development as an adjunct to intravenous AB therapy for the treatment of pneumonia.
Nanoscale magnetic bubbles in Nd2Fe14B at room temperature (2022)

The increasing demand for computer data storage with a higher recording density can be addressed by using smaller magnetic objects, such as bubble domains. Small bubbles predominantly require a strong saturation magnetization combined with a large magnetocrystalline anisotropy to resist self-demagnetization. These conditions are well satisfied for highly anisotropic materials. Here, we study the domain structure of thin ${\mathrm{Nd}}_{2}{\mathrm{Fe}}_{14}\mathrm{B}$ lamellae. Magnetic bubbles with a minimum diameter of 74 nm were observed at room temperature, approaching even the range of magnetic skyrmions. The stripe domain width and the bubble size are both thickness dependent. Furthermore, a kind of bubble was observed below the spin-reorientation transition temperature that combine bubbles with opposite helicity. In this paper, we reveal ${\mathrm{Nd}}_{2}{\mathrm{Fe}}_{14}\mathrm{B}$ to be a good candidate for a high-density magnetic bubble-based memory.
Redistribution of Metabolic Fluxes in the Central Aerobic Metabolic Pathway of E. coli Mutant Strains with Deletion of the ackA-pta and poxB Pathways for the Synthesis of Isoamyl Acetate (2005)

Although the bacterium E. coli is chosen as the host in many bioprocesses, products derived from the central aerobic metabolic pathway often compete with the acetate-producing pathways poxB and ackA-pta for glucose as the substrate. As such, a significant portion of the glucose may be excreted as acetate, wasting substrate that could have otherwise been used for the desired product. The production of the ester isoamyl acetate from acetyl-CoA by ATF2, a yeast alcohol acetyl transferase, was used as a model system to demonstrate the beneficial effects of reducing acetate production. All strains tested for ester production also overexpressed panK, a native E. coli gene that previous studies have shown to increase free intracellular CoA levels when fed with pantothenic acid. A recombinant E. coli strain with a deletion in ackA-pta produces less acetate and more isoamyl acetate than the wild-type E. coli strain. When both acetate-producing pathways were deleted, the acetate production was greatly reduced. However, pyruvate began to accumulate, so that the overall ester production remained largely unchanged. To produce more ester, a previously established strategy of increasing the flux from pyruvate to acetyl-CoA was adopted by overexpressing pyruvate dehydrogenase. The ester production was then 80% higher in the poxB, ackA-pta strain (0.18 mM) than that found in the single ackA-pta mutant (0.10 mM), which also overexpressed PDH.
The International Workshop on Osteoarthritis Imaging Knee MRI Segmentation Challenge:A Multi-Institute Evaluation and Analysis Framework on a Standardized Dataset (2021)

Purpose: To organize a multi-institute knee MRI segmentation challenge for characterizing the semantic and clinical efficacy of automatic segmentation methods relevant for monitoring osteoarthritis progression. Materials and Methods: A dataset partition consisting of three-dimensional knee MRI from 88 retrospective patients at two time points (baseline and 1-year follow-up) with ground truth articular (femoral, tibial, and patellar) cartilage and meniscus segmentations was standardized. Challenge submissions and a majority-vote ensemble were evaluated against ground truth segmentations using Dice score, average symmetric surface distance, volumetric overlap error, and coefficient of variation on a holdout test set. Similarities in automated segmentations were measured using pairwise Dice coefficient correlations. Articular cartilage thickness was computed longitudinally and with scans. Correlation between thickness error and segmentation metrics was measured using the Pearson correlation coefficient. Two empirical upper bounds for ensemble performance were computed using combinations of model outputs that consolidated true positives and true negatives. Results: Six teams (T 1-T 6) submitted entries for the challenge. No differences were observed across any segmentation metrics for any tissues (P = .99) among the four top-performing networks (T 2, T 3, T 4, T 6). Dice coefficient correlations between network pairs were high (&gt; 0.85). Per-scan thickness errors were negligible among networks T 1-T 4 (P = .99), and longitudinal changes showed minimal bias (&lt; 0.03 mm). Low correlations (ρ &lt; 0.41) were observed between segmentation metrics and thickness error. The majority-vote ensemble was comparable to top-performing networks (P = .99). Empirical upper-bound performances were similar for both combinations (P = .99). Conclusion: Diverse networks learned to segment the knee similarly, where high segmentation accuracy did not correlate with cartilage thickness accuracy and voting ensembles did not exceed individual network performance.See also the commentary by Elhalawani and Mak in this issue.Keywords: Cartilage, Knee, MR-Imaging, Segmentation © RSNA, 2020Supplemental material is available for this article.