gebhart/patrepeval huggingface dataset:
Micro Raman Spectroscopy: An Appropriate Method for the Characterization of Orientation and Crystallinity of Polypropylene (2002)

Journal Article Micro Raman Spectroscopy: An Appropriate Method for the Characterization of Orientation and Crystallinity of Polypropylene Get access A Gupper, A Gupper Research Institute for Electron Microscopy, Graz University of Technology and Zentrum für Elektronenmikroskopie Graz, Steyrergasse 17, A-8010 Graz, Austria Search for other works by this author on: Oxford Academic Google Scholar P Wilhelm, P Wilhelm Research Institute for Electron Microscopy, Graz University of Technology and Zentrum für Elektronenmikroskopie Graz, Steyrergasse 17, A-8010 Graz, Austria Search for other works by this author on: Oxford Academic Google Scholar G Kothleitner, G Kothleitner Research Institute for Electron Microscopy, Graz University of Technology and Zentrum für Elektronenmikroskopie Graz, Steyrergasse 17, A-8010 Graz, Austria Search for other works by this author on: Oxford Academic Google Scholar P Zipper, P Zipper Institut für Chemie, Karl Franzens Universität Graz, Heinrichstraße 28, A-8010 Graz, Austria Search for other works by this author on: Oxford Academic Google Scholar D Gregor-Svetec, D Gregor-Svetec Department of Textiles, University of Lubljana, Snezniska 5, SL-1000 Lubljana, Slovenia Search for other works by this author on: Oxford Academic Google Scholar M Gahleitner M Gahleitner Borealis GesmbH, St. Peter Straße 25, A-4021 Linz, Austria Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 8, Issue S02, 1 August 2002, Pages 1522–1523, https://doi.org/10.1017/S1431927602104247 Published: 01 August 2002
Development of the First Potent, Selective and CNS penetrant M5 Negative Allosteric Modulator (NAM) (2014)

A recently completed functional, high throughput screen of the Molecular Libraries Probe Production Center's Network (MLPCN) screening deck of ∼360,000 compounds conducted by Scripps Research Institute Molecular Screening Center (SRIMSC) against three of the five muscarinic receptor subtypes (M1, M4 and M5) provided a number of interesting hits. As this was the first time a directed effort had been undertaken to identify M5 selective leads, we were very pleased by the identification of nine M5 PAMs and nine M5 antagonists (or negative allosteric modulators, NAMs), despite the complete absence of M5 agonist hits. The most promising M5 inhibitor hit (CID 5189681), was quickly developed into a potent, selective and CNS penetrant probe molecule ML375 (hM5 NAM IC50 = 300 nM, hM1-4 IC50s >30 μM) displaying enantioselective inhibition. Detailed molecular pharmacology studies demonstrated that ML375 is the first M5 NAM ever described, and ML375 show good rat and cyno pharmacokinetics to support in vivo studies in rodents and non-human primates.
Implementing genotype-guided Antithrombotic Therapy (2010)

Genotyping has the potential to improve the efficacy and safety of major antithrombotic drugs. For warfarin, the stable maintenance dose varies from 1-10 mg/day. The VKORC1 -1639G>A allele and the CYP2C9*2 and *3 alleles (cumulative frequency: 90% in Asians, 65% in Europeans and 20% in Africans), explain 45% of response variability in European and 30% in African populations. The large clinical trials COAG and EU-PACT will define the extent to which pharmacogenetic dosing affects the safety and efficacy of warfarin and coumarin derivatives. The platelet inhibitor clopidogrel requires activation by the CYP2C19 enzyme. CYP2C19*2 and *3 alleles (cumulative frequency: 20-50%) produce null enzyme activity, and their presence attenuates platelet inhibition and increases cardiovascular events. The US FDA-mandated drug labeling recognizes the relevance of genotyping in the selection and dosing of both warfarin and clopidogrel.
Multimodal single mouse and human cell ‘Omics: Is variability distinct across cellular modalities? (2018)

With the advent of single cell analyses many unanticipated cell biological phenomena have been discovered including, new classes of RNA, identification of RNA targeting sequences and perhaps most surprisingly the discovery of cell‐to‐cell variation in transcriptome abundances even in presumptively identical cells. There is large‐scale single cell RNA variability for different cell types that can't be explained as simple molecular or technical noise. These data have led to the hypothesis that there is a many‐to‐one relationship between transcriptome states and a cell's phenotype. In this relationship the functional molecular ratios of the RNA are determined by the cell systems' stoichiometric constraints, which underdetermine the transcriptome state. Because a broad set of multi‐genic combinations support a particular phenotype, changes in the transcriptome state do not necessarily lead to changes in the phenotype. By analogy cellular phenotype should not be defined based upon the expression of individual RNAs but rather as dynamical changes in subsets of RNAs comprising selected RNA systems where the system‐associated RNAs are balanced with each other to produce the associated cellular function. Data to support these observations will be presented from live mouse and human cells, fixed tissue analysis and subcellular regional analysis. This idea provides a framework for understanding cellular heterogeneity in phenotypic response to various stimuli and provides a means for rethinking how to manipulate cellular responses so that desired outcomes are obtained including identification of molecules showing therapeutic efficacy. Support or Funding Information NIH U01MH098953, NIH GM110005, NIH MH 110180, The Brain Research Foundation. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .
Issues in Operation Flow Management for Long-Running Acivities. (1993)

Epidemiologic study, level IV.
Aromatic Oligomers that Form Hetero Duplexes in Aqueous Solution (2002)

The electron-deficient 1,4,5,8-naphthalenetetracarboxylic diimide (Ndi) and electron-rich 1,5-dialkoxynaphthalene (Dan) have been shown to complex strongly with each other in water due to the hydrophobic effect as modulated through the electrostatic complementarity of the stacked dimer. Previously, oligomers of alternating Ndi and Dan units, termed aedamers, were the first foldamers to employ intramolecular aromatic stacking to effect the formation of secondary structure of nonnatural chains in aqueous solution. Described here is the use of this aromatic-aromatic (or pi-pi) interaction, this time in an intermolecular format, to demonstrate the self-assembly of stable hetero duplexes from a set of molecular strands (1a-4a) and (1b-4b) incorporating Ndi and Dan units, respectively. A 1-to-1 binding stoichiometry was determined from NMR and isothermal titration calorimetry (ITC) investigations, and these experiments indicated that association is enthalpically favored with the tetra-Ndi (4a) and tetra-Dan (4b) strands forming hetero duplexes (4a:4b) with a stability constant of 350 000 M-1 at T = 318 K. Polyacrylamide gel electrophoresis (PAGE) also illustrated the strong interaction between 4a and 4b and support a 1-to-1 binding mode even when one component is in slight excess. Overall, this system is the first to utilize complementary aromatic units to drive discrete self-assembly in aqueous solution. This new approach for designing assemblies is encouraging for future development of duplex systems with highly programmable modes of binding in solution or on surfaces.
Ring opening metathesispolymerisation of emulsion templated dicyclopentadiene giving open porous materials with excellent mechanical properties (2011)

Surfactant stabilized emulsions of dicyclopentadiene and 50%, 60%, 70% or 80% of water were cured using ring opening metathesis polymerisation. All formulations gave open porous architectures featuring excellent mechanical properties which change upon oxidation.
Rotational Alignment of the Knee is Different in Osteological Specimens With and Without a Cam Deformity of the Proximal Femur (2013)

Restriction in hip rotation secondary to FAI may be associated with compensatory changes in more distal lower extremity joints. It is unknown whether the presence of a cam deformity is associated with any characteristic anatomic differences in the ipsilateral knee. We have performed an anatomic study of the femur and proximal tibia in order to examine rotation based upon the presence or absence of a cam-type deformity, and we hypothesized that differences in knee rotation would be identified between groups.
Exome sequencing reveals mutated SLC19A3 in patients with an early-infantile, lethal encephalopathy (2013)

To accomplish a diagnosis in patients with a rare unclassified disorder is difficult. In this study, we used magnetic resonance imaging pattern recognition analysis to identify patients with the same novel heritable disorder. Whole-exome sequencing was performed to discover the mutated gene. We identified seven patients sharing a previously undescribed magnetic resonance imaging pattern, characterized by initial swelling with T2 hyperintensity of the basal nuclei, thalami, cerebral white matter and cortex, pons and midbrain, followed by rarefaction or cystic degeneration of the white matter and, eventually, by progressive cerebral, cerebellar and brainstem atrophy. All patients developed a severe encephalopathy with rapid deterioration of neurological functions a few weeks after birth, followed by respiratory failure and death. Lactate was elevated in body fluids and on magnetic resonance spectroscopy in most patients. Whole-exome sequencing in a single patient revealed two predicted pathogenic, heterozygous missense mutations in the SLC19A3 gene, encoding the second thiamine transporter. Additional predicted pathogenic mutations and deletions were detected by Sanger sequencing in all six other patients. Pathology of brain tissue of two patients demonstrated severe cerebral atrophy and microscopic brain lesions similar to Leigh's syndrome. Although the localization of SLC19A3 expression in brain was similar in the two investigated patients compared to age-matched control subjects, the intensity of the immunoreactivity was increased. Previously published patients with SLC19A3 mutations have a milder clinical phenotype, no laboratory evidence of mitochondrial dysfunction and more limited lesions on magnetic resonance imaging. In some, cerebral atrophy has been reported. The identification of this new, severe, lethal phenotype characterized by subtotal brain degeneration broadens the phenotypic spectrum of SLC19A3 mutations. Recognition of the associated magnetic resonance imaging pattern allows a fast diagnosis in affected infants.
Designing a Color Filter via Optimization of Vora-Value for Making a Camera more Colorimetric (2020)

The Luther condition states that if the spectral sensitivity responses of a camera are a linear transform from the color matching functions of the human visual system, the camera is colorimetric. Previous work proposed to solve for a filter which, when placed in front of a camera, results in sensitivities that best satisfy the Luther condition. By construction, the prior art solves for a filter for a given set of human visual sensitivities, e.g. the XYZ color matching functions or the cone response functions. However, depending on the target spectral sensitivity set, a different optimal filter is found. This paper begins with the observation that the cone fundamentals, XYZ color matching functions or any linear combination thereof span the same 3-dimensional subspace. Thus, we set out to solve for a filter that makes the vector space spanned by the filtered camera sensitivities as similar as possible to the space spanned by human vision sensors. We argue that the Vora-Value is a suitable way to measure subspace similarity and we develop an optimization method for finding a filter that maximizes the Vora-Value measure. Experiments demonstrate that our new optimization leads to filtered camera sensitivities which have a significantly higher Vora-Value compared with antecedent methods.
Processing, Structure, and Transistor Performance: Combustion versus Pulsed Laser Growth of Amorphous Oxides (2019)

Solution-phase growth of amorphous oxide semiconducting films will likely provide significant advances toward the realization of affordable, flexible, transparent electronics. However, solution processing methods are still under development, and the bulk of amorphous oxide studies investigate films grown via physical vapor deposition (PVD) methods. To leverage the existing knowledge base on amorphous oxides, this study directly compares one of the most promising solution processing techniques, combustion synthesis (CS; spin and spray methodologies), with a more established PVD growth technique, pulsed laser deposition (PLD). The roles of processing technique and composition are understood by coupling structural studies, including analysis of local bonding and density, with the existing literature of PVD amorphous oxide films. This work represents the first example of X-ray absorption spectroscopy analysis of spray combustion processing (Spray-CS) a-oxide films. Trends in film structure and transistor performance are compared in the amorphous In–Ga–O (a-IGO) system, across a broad In–Ga composition space, as calibrated by X-ray fluorescence. Semiconducting layers deposited by either CS or PLD are used as the channel layer in thin film transistors (TFTs) fabricated on SiO2/Si substrates. A drop in TFT saturation mobility, with increasing Ga content, for PLD and spin-coated combustion processing (Spin-CS) devices is understood to be the disruption of carrier mobility imposed by the disparate local structure around Ga, as opposed to around In. In contrast, saturation mobility for Spray-CS films is dominated by the processing method and cannot be tuned with composition. TFTs with PLD-derived channel layers exhibit the highest saturation mobility, 42 cm2 V–1 s–1 (maximum), which may be linked to their high density. Similar to mobility trends, TFT on-voltage rises with Ga content for Spin-CS and PLD-derived channel layers. A rise in on voltage is associated with decreasing carrier concentration induced by the dilution of low-oxygen-coordinated In centers, the source of carriers. As with mobility, on-voltage for Spray-CS derived TFTs is not well tuned with composition but is consistently near zero. Local structure studies reveal that the Spray-CS growth technique results in high In–O coordination levels, which explains the low carrier concentrations and resultant on voltage behavior. This work investigates, for the first time, the structural phase stability of solution-processed oxides through in situ glancing incidence X-ray diffraction annealing studies. Thermal phase stability, which informs processing parameters and device stability, is shown to increase with Ga content for all films.
Investigation on organic thin film transistors (TFT) by Kelvin probe force microscopy (KPFM) (2020)

Using Kelvin Probe Force Microscopy (KPFM), we performed surface-potential measurements on operating organic thin-film transistors (TFTs). Several parameters inaccessible through current-voltage measurements were determined, namely the source and drain resistances separately, the threshold voltage and the electric field along the channel. We show that the source resistance is always higher than the drain resistance, and non-linear intrinsic behavior is demonstrated in some cases. The threshold voltage extracted by KPFM is different from that extracted from current-voltage measurements. By analyzing the tip response using calibration samples, the electric field at the source/channel interface can be estimated within a small error margin.
Robust multicolor single photon emission from point defects in hexagonal boron nitride (2016)

Hexagonal boron nitride (hBN) is an emerging two dimensional material for quantum photonics owing to its large bandgap and hyperbolic properties. Here we report a broad range of multicolor room temperature single photon emissions across the visible and the near infrared spectral ranges from point defects in hBN multilayers. We show that the emitters can be categorized into two general groups, but most likely possess similar crystallographic structure. We further show two approaches for engineering of the emitters using either electron beam irradiation or annealing, and characterize their photophysical properties. The emitters exhibit narrow line widths of sub 10 nm at room temperature, and a short excited state lifetime with high brightness. Remarkably, the emitters are extremely robust and withstand aggressive annealing treatments in oxidizing and reducing environments. Our results constitute the first step towards deterministic engineering of single emitters in 2D materials and hold great promise for the use of defects in boron nitride as sources for quantum information processing and nanophotonics.
Intermolecular (4+3) cycloadditions of aziridinyl enolsilanes (2013)

Upon activation by strong Brønsted acids, aziridinyl enolsilanes undergo (4+3) cycloadditions with dienes to afford aminoalkylated cycloheptenones as products. The use of a highly polar medium such as nitroalkane facilitates high cycloaddition yields of up to 99%. Optically pure aziridinyl enolsilanes react to yield (4+3) cycloadducts with up to 99% ee.
Digital clock recovery algorithm for optical coherent receivers operating independent of laser frequency offset (2008)

We propose a digital clock recovery algorithm and demonstrate its tolerance to at least 5 GHz laser frequency mismatch in a 43 Gb/s DP-RZ-QPSK receiver after 1200 km transmission.
Design and experimental evaluation of the loss-free braking resistor concept for applications in integrated converter machine systems (2002)

If the braking resistor of a conventional dissipative braking system (braking chopper) of a three-phase AC motor drive is replaced by a thyristor bridge (loss-free braking resistor) controlled in the full inverter operation, the braking energy of the drive can be fed back into the mains. This means that the current flowing into the mains via always two phases from the DC link is controlled by the power transistor of the braking chopper. In this paper, this regenerative braking system is discussed based on a 10 kW laboratory model.
Low-Concentration Methylene Blue Maintains Energy Production and Strongly Improves Survival of Leigh Syndrome French Canadian Skin Fibroblasts (2011)

Leigh syndrome French Canadian (LSFC) is a recessive disease caused by mutations in the LRPPRC gene (leucine-rich pentatricopeptide repeat containing protein). These mutations induce a cytochrome c oxidase (COX) deficiency resulting in episodes of acute acidotic crisis that will often lead to death. There is no effective treatment. Methylene blue (MB) is a redox dye that increases COX content and activity in vitro and in vivo suggesting that MB could prevent and treat LSFC. In this study, the protective effect of low-concentration MB was tested on two LSFC cell lines, including LSFC-F1, homozygous for the mutation A354V, and LSFC-F2 a compound heterozygous for the mutations A354V and C12775STOP. MB effect on metabolic activity was assessed on both LSFC cells in stable and acidotic conditions. For LSFC-F1, results showed that metabolic activity drastically decline after 96 hours in both conditions but not LSFC-F2 and normal cells. MB completely prevents the decrease of metabolic activity in LSFC-F1. Intracellular ATP content was also measured in both culture media. After 96 hours in acidotic medium, ATP content was almost completely depleted for both LSFC cells. Interestingly, MB completely restores ATP content in LSFC-F1 and LSFC-F2 cells. Finally, MB strongly improves the survival of both LSFC cells.
Identification of modulated rotating waves in pattern-forming systems with O(2) symmetry (2002)

A numerical algorithm for identifying Modulated Rotating Waves in spatially extended systems with <strong>O(2)</strong> symmetry—the symmetry group of rotations and reflections on the plane, is presented. The algorithm can be applied to numerical simulations of Partial Differential Equations (PDEs) and experimental data obtained in a laboratory. The basic methodology is illustrated with various cellular patterns obtained from video images of a combustion experiment carried out on a circular burner. Rotating waves and modulated rotating waves are successfully identified in the experiment. The algorithm is then validated by comparing the analysis of experimental patterns with the analysis of computational patterns obtained from numerical simulations of a reaction-diffusion PDE model.
Predictive Molecular Design and Structure–Property Validation of Novel Terpene-Based, Sustainably Sourced Bacterial Biofilm-Resistant Materials (2023)

Presented in this work is the use of a molecular descriptor, termed the α parameter, to aid in the design of a series of novel, terpene-based, and sustainable polymers that were resistant to biofilm formation by the model bacterial pathogen <i>Pseudomonas aeruginosa</i>. To achieve this, the potential of a range of recently reported, terpene-derived monomers to deliver biofilm resistance when polymerized was both predicted and ranked by the application of the α parameter to key features in their molecular structures. These monomers were derived from commercially available terpenes (<i>i.e.</i>, α-pinene, β-pinene, and carvone), and the prediction of the biofilm resistance properties of the resultant novel (meth)acrylate polymers was confirmed using a combination of high-throughput polymerization screening (in a microarray format) and <i>in vitro</i> testing. Furthermore, monomers, which both exhibited the highest predicted biofilm anti-biofilm behavior and required less than two synthetic stages to be generated, were scaled-up and successfully printed using an inkjet "valve-based" 3D printer. Also, these materials were used to produce polymeric surfactants that were successfully used in microfluidic processing to create microparticles that possessed bio-instructive surfaces. As part of the up-scaling process, a novel rearrangement was observed in a proposed single-step synthesis of α-terpinyl methacrylate <i>via</i> methacryloxylation, which resulted in isolation of an isobornyl-bornyl methacrylate monomer mixture, and the resultant copolymer was also shown to be bacterial attachment-resistant. As there has been great interest in the current literature upon the adoption of these novel terpene-based polymers as green replacements for petrochemical-derived plastics, these observations have significant potential to produce new bio-resistant coatings, packaging materials, fibers, medical devices, etc.
Metal Artifact Reduction and 3D CT Imaging After Joint Replacement of the Shoulder (2013)

Advanced 3D CT imaging of the shoulder using metal artifact reduction techniques have been developed and validated in pre-clinical and patient population using microscribe and RSA techniques. These studies demonstrate these methods to be highly accurate and reproducible in the measurement of implant position and implant migrations. 3D CT imaging is being used to study the anatomic and clinical factors associated with glenoid implant loosening. This imaging modality does not require marker based image registration and utilizes imaging equipment that is readily available in the clinical setting.