gebhart/patrepeval huggingface dataset:
Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage (2019)

Crystalline defects are commonly generated in lithium-metal-oxide electrodes during cycling of lithium-ion batteries. Their role in electrochemical reactions is not yet fully understood because, until recently, there has not been an effective operando technique to image dynamic processes at the atomic level. In this study, two types of defects were monitored dynamically during delithiation and concomitant oxidation of oxygen ions by using in situ high-resolution transmission electron microscopy supported by density functional theory calculations. One stacking fault with a fault vector b/6[110] and low mobility contributes minimally to oxygen release from the structure. In contrast, dissociated dislocations with Burgers vector of c/2[001] have high gliding and transverse mobility; they lead to the formation, transport and release subsequently of oxygen related species at the surface of the electrode particles. This work advances the scientific understanding of how oxygen participates and the structural response during the activation process at high potentials.
Advanced Ground Systems Maintenance Intelligent Devices/Smart Sensors Project (2015)

This project provides development and qualification of Smart Sensors capable of self-diagnosis and assessment of their capability/readiness to support operations. These sensors will provide pressure and temperature measurements for use in ground systems.
Protein Kinase R Degradation Is Essential for Rift Valley Fever Virus Infection and Is Regulated by SKP1-CUL1-F-box (SCF)FBXW11-NSs E3 Ligase (2016)

Activated protein kinase R (PKR) plays a vital role in antiviral defense primarily by inhibiting protein synthesis and augmenting interferon responses. Many viral proteins have adopted unique strategies to counteract the deleterious effects of PKR. The NSs (Non-structural s) protein which is encoded by Rift Valley fever virus (RVFV) promotes early PKR proteasomal degradation through a previously undefined mechanism. In this study, we demonstrate that NSs carries out this activity by assembling the SCF (SKP1-CUL1-F-box)(FBXW11) E3 ligase. NSs binds to the F-box protein, FBXW11, via the six amino acid sequence DDGFVE called the degron sequence and recruits PKR through an alternate binding site to the SCF(FBXW11) E3 ligase. We further show that disrupting the assembly of the SCF(FBXW11-NSs) E3 ligase with MLN4924 (a small molecule inhibitor of SCF E3 ligase activity) or NSs degron viral mutants or siRNA knockdown of FBXW11 can block PKR degradation. Surprisingly, under these conditions when PKR degradation was blocked, NSs was essential and sufficient to activate PKR causing potent inhibition of RVFV infection by suppressing viral protein synthesis. These antiviral effects were antagonized by the loss of PKR expression or with a NSs deleted mutant virus. Therefore, early PKR activation by disassembly of SCF(FBXW11-NSs) E3 ligase is sufficient to inhibit RVFV infection. Furthermore, FBXW11 and BTRC are the two homologues of the βTrCP (Beta-transducin repeat containing protein) gene that were previously described to be functionally redundant. However, in RVFV infection, among the two homologues of βTrCP, FBXW11 plays a dominant role in PKR degradation and is the limiting factor in the assembly of the SCF(FBXW11) complex. Thus, FBXW11 serves as a master regulator of RVFV infection by promoting PKR degradation. Overall these findings provide new insights into NSs regulation of PKR activity and offer potential opportunities for therapeutic intervention of RVFV infection.
Soluble IL-6 receptor leads to a paracrine modulation of the IL-6-induced hepatic acute phase response in double transgenic mice (1997)

There is a growing number of soluble agonistic (IL-6, ciliary neurotropic factor, IL-11, and glia-derived neurotropic factor receptors) and antagonistic (IL-1 and TNF receptors) receptor proteins, modulating the biological functions of their cognate ligands. The physiologic role of these receptor molecules in vivo is unclear. In particular, it is not known how the specificity of function of soluble receptors after release into the blood stream is maintained. We addressed this question by studying the function of the soluble IL-6R (sIL-6R) at the cellular level in the liver. We have generated double transgenic mice coexpressing human sIL-6R and human IL-6 in the liver and have analyzed the expression patterns by in situ hybridization. The expression of the human sIL-6R, driven by the phosphoenolpyruvate carboxykinase promoter, is located mainly in periportal areas, whereas human IL-6 under the control of the metallothionein promoter is uniformly expressed throughout the liver. We show here by in situ hybridization that acute phase protein gene expression induced by human IL-6 and human sIL-6R correlated with the periportal expression of sIL-6R, indicating that sIL-6R acts mainly in an area where it is generated. We conclude that in a concentration-dependent manner, at low concentrations of sIL-6R, there is a predominantly paracrine action at the site of its generation, whereas at higher concentrations of the sIL-6R there are both local and systemic effects.
Gn theory (2011)

Abstract A review of the Gaussian‐ n (G n ) methods for accurate calculations of molecular energies is presented. The review includes an overview of the test sets that have been developed for assessing quantum chemical methods. This is followed by a description of the G2, G3, and G4 family of methods along with information on their performance on the test sets. © 2011 John Wiley &amp; Sons, Ltd. WIREs Comput Mol Sci 2011 1 810–825 DOI: 10.1002/wcms.59 This article is categorized under: Electronic Structure Theory &gt; Ab Initio Electronic Structure Methods
Congenital and Acquired Thrombocytopenia (2004)

The diagnosis and management of thrombocytopenia is a growing component in the practice of hematology. The frequency with which hematologists are called in consultation for thrombocytopenia continues to increase with the advent of routine automated platelet determinations and the introduction of new medications. For most patients, such as those with inherited and auto-immune thrombocytopenia, emphasis is focused on efforts to treat or forestall bleeding without excess drug-induced toxicity or burden to the patient. However, in disorders such as heparin-induced thrombocytopenia (HIT), avoidance of thrombotic complications is the key to management. In this chapter, we provide the pediatric and adult hematologist with new insights into the pathogenesis and recognition of congenital inherited thrombocytopenias (CTP), a hitherto difficult to comprehend constellation of clinical entities. We also highlight new approaches to the diagnosis and treatment of two of the more common thrombocytopenic conditions encountered in practice, autoimmune or idiopathic thrombocytopenic purpura (ITP) and HIT. In Section I, Dr. James Bussel discusses CTPs and their distinction from childhood ITP. He emphasizes the clinical features that enable the pediatrician and hematologist to suspect the diagnosis of CTP and those that are of use to subcategorize the various entities, where possible. He also emphasizes newer molecular markers that afford definitive diagnosis in some cases and provide insight into platelet production. This section highlights the characteristic associated findings and differences in the natural history and approaches to management of the various entities. In Section II, Dr. Robert McMillan discusses adult chronic ITP. He revisits the utility of platelet antibody determination in diagnosis and review new insights into pathogenesis. The role of Helicobacter pylori infection and the timing of splenectomy in the management of acute and emergent ITP are examined. New insights into the natural history of ITP post-splenectomy and management strategies for patients with severe, chronic, refractory ITP are discussed. In Section III, Dr. James Zehnder updates us on HIT. He emphasizes new insights into the clinical presentation and pathogenesis of this condition. He critically reviews the utility of laboratory testing for heparin-dependent antibodies. Recent studies on the use of direct thrombin inhibitors are examined and the management of cardiopulmonary bypass surgery in patients with HIT is discussed.
Polymers Containing Pendant Herbicide Substituents: Hydrolysis Studies II (1977)

The objective of this research has been the development of controlled-release herbicides that will afford extended control of aquatic weeds (1,2). One approach to these materials has been the synthesis of polymers that contain herbicides as pendent substituents (3-5). For example, homopolymers have been prepared that consist of over 80% 2,4-dichlorophenoxyacetic acid (2,4-D) or 2-(2,4,5-trichlorophenoxy)propionic acid (Silvex) as pendent side chains. It was postulated that the herbicide would be released from these systems by the slow, sequential hydrolysis of the herbicide-polymer bonds. Hydrolysis studies, however, showed that the homopolymers will not undergo hydrolysis under mildly alkaline conditions at 30° (6). The reactivity of substituents attached to the backbone of a polymer chain is known to be substantially increased by the presence of suitable neighboring groups (7). For example, the hydrolysis of pendent ester groups is enhanced by the incorporation of carboxyl groups along the backbone (8-11). In an attempt to
Perfect and Defective 13C-Furan-Derived Nanothreads from Modest-Pressure Synthesis Analyzed by 13C NMR (2021)

13C-enrichment of furan by custom synthesis followed by modest-pressure synthesis of 13C-enriched nanothreads enabled a detailed characterization of the reaction products by a full complement of advanced solid-state NMR techniques, with validation by ab initio calculation of chemical shifts. The 13C NMR spectrum was complex, with more than a dozen distinct features, but almost all (> 95%) represented CH moieties are as expected in nanothreads, with only 2–4% CH2, 0.3% C=O, and 0.3% COO groups, according to spectral editing. Different components were quantified by integration of the fully equilibrated direct-polarization spectrum. Symmetric and asymmetric alkene-containing rings as well as trapped furan were identified by 13C-13C and 1H-13C NMR. The most intriguing component observed was fully saturated perfect anti furan-derived nanothread segments, with two distinct, sharp peaks, accounting for ca. 10% of the material. The bonding patterns in these periodic structures deduced from DQ/SQ NMR was that of a [4+2] cycloaddition product. While the small number of chemically inequivalent carbon sites eliminated low-symmetry syn/anti threads, the large number of magnetically inequivalent ones (i.e., distinct C-H orientations) in CODEX NMR was incompatible with the high-symmetry syn threads. Anti threads with two chemically and eight magnetically inequivalent sites provide the only consistent fit of the experimental data. These conclusions were convincingly corroborated by quantum-chemical simulations, which showed good agreement of isotropic chemical shifts only for the anti threads. This represents the first molecular-level identification of a specific type of nanothread. The typical length of the perfect, fully saturated thread segments was around 14 bonds and they accordingly constitute small clusters (according to 13C and 1H spin diffusion analyses) which likely reside within an overall hexagonal thread packing along with other, less-perfect or less-saturated brethren. The relatively slow T1C relaxation confirms the nanometer-scale length of the periodic perfect structure, indicates that the perfect threads are particularly rigid, and enables their selective observation in 13C NMR.
High-resolution carbon-13 NMR of retinal derivatives in the solid state (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHigh-resolution carbon-13 NMR of retinal derivatives in the solid stateG. S. Harbison, P. P. J. Mulder, H. Pardoen, J. Lugtenburg, J. Herzfeld, and R. G. GriffinCite this: J. Am. Chem. Soc. 1985, 107, 17, 4809–4816Publication Date (Print):August 1, 1985Publication History Published online1 May 2002Published inissue 1 August 1985https://pubs.acs.org/doi/10.1021/ja00303a001https://doi.org/10.1021/ja00303a001research-articleACS PublicationsRequest reuse permissionsArticle Views337Altmetric-Citations87LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Wavefront sensorless multi-conjugate adaptive optics for imaging in deep atmospheric turbulence: preliminary numerical analysis (2014)

This paper deals with the problem of imaging in deep atmospheric turbulence conditions such as the ones encountered in long near-horizontal propagation scenarios. Under such conditions, anisoplanatism as well as the presence of intensity scintillations prevent efficient use of conventional single-wavefront corrector adaptive optics systems. Multi-conjugate adaptive optics (MCAO) techniques have been successfully demonstrated in the field of astronomy to mitigate anisoplanatism effects and improve correction on extended objects in weak atmospheric turbulence conditions. However these techniques typically require the use of several wavefront sensors which increases system complexity, and are impacted by the presence of intensity scintillations. We propose to use a wavefront sensorless MCAO method based solely on the optimization of image quality metrics. In this method, the commands applied to the deformable mirrors are computed from a metric derived directly from the compensated image. The method has the advantage of being more robust to scintillations and does not require wavefront sensors. In this preliminary numerical study, we evaluate the benefit of the MCAO approach in deep turbulence.
Review—Recent Advancement in Charge- and Photo-Assisted Non-Contact Electrical Characterization of SiC, GaN, and AlGaN/GaN HEMT (2017)

The charge-based corona-Kelvin non-contact metrology, originally developed for Si IC fabrication, has recently been extended to wide energy gap semiconductors. We discuss principles of this extension and key applications, namely: high precision dopant measurement on SiC and GaN; two-dimensional electron gas characterization in AlGaN/GaN HEMT structures; interface and dielectric characterization on epi-layers with SiO2 and SiN; comprehensive interfacial instability characterization of oxidized SiC; and whole wafer mapping of defects with a charge-assisted surface voltage technique, QUAD. This powerful set of measurements is performed without fabrication of any test structures or electrical contact. Corresponding commercial tools are currently being introduced. Based on the historical example of silicon IC, we believe that this approach shall offer enhanced testing for research and for manufacturing process control with reduced cost and fast data feedback benefiting wide-bandgap device technology.
Disposition of acetylmethadol in relation to pharmacologic action (1975)

The levels of acetylmethadol and its active biotransformation products were quantitated in the plasma and urine of subjects on acetylmethadol maintenance by the use of solvent extraction and gas-liquid chromatography. The time-course of plasma acetylmethadol, noracetylmethadol, and dinoracetylmethadol over 48 hr was determined concurrently with the time-action of pupillary constriction in 8 subjects receiving an average oral maintenance dose of 50 mg. The plasma level of acetylmethadol reached a peak at 4 hr and had nearly disappeared by 24 hr. The mean apparent half-life was 7 hr. The plasma level of noracetylmethadol peaked at 4 to 8 hr and slowly declined over the next 40 hr. The mean apparent half-life of noracetylmethadol was 48 hr. Dinoracetylmethadol plasma levels remained relatively constant throughout the dosing interval. The miotic effect reached a peak at 8 hr and decayed at a rate slower than that of plasma elimination of acetylmethadol but more rapidly than that of noracetylmethadol and dinoracetylmethadol. Substantial variation in the plasma levels of the compounds was observed in subjects after the same doses. The study indicated that the relatively long duration of opiate effects of acetylmethadol results from biotransformation to active and persistent metabolites.
Influência do AMP cíclico na regeneração do nervo facial em ratos (2008)

Estimular a regeneração do nervo facial é ainda hoje um desafio. OBJETIVO: Estudar a possível influência neurotrófica do nucleotídeo cíclico adenosina monofosfato (AMPc) na regeneração do nervo facial de ratos Wistar. MÉTODO: Trinta e dois animais foram submetidos à transecção completa com sutura imediata do nervo facial direito, sendo divididos em expostos ou não expostos à aplicação tópica de AMPc, com análises comportamentais (movimentação de vibrissas e fechamento da rima palpebral) e histométrica (contagem de fibras mielinizadas) em dois períodos, 14 e 28 dias após a lesão. RESULTADO: Encontramos diferenças estatísticas (p&lt;0,05) nas análises comportamental e histométrica no 14º dia, sugerindo uma precocidade na regeneração do nervo facial exposto ao AMPc. CONCLUSÃO: Nosso estudo constatou uma possível ação neurotrófica do AMPc na regeneração do nervo facial em ratos.
Activation‐induced cytidine deaminase (AID) is expressed in normal spermatogenesis but only infrequently in testicular germ cell tumours (2006)

Activation-induced cytidine deaminase (AID) is essential for somatic hypermutation (SHM) and class switch recombination (CSR) of immunoglobulin genes in antigen-dependent B-cell maturation. SHM is not restricted to immunoglobulin gene loci, raising the possibility of a function for AID in other cell types. In this study, it is shown that AID is expressed in spermatocytes in the human testis. AID was mostly cytoplasmic but nuclear AID was also observed in a proportion of cells, in keeping with the DNA deamination model of AID function. Intratubular germ cell neoplasia unclassified (IGCNU), the precursor lesion of testicular cancers, was AID-negative. Seminomas also lacked AID expression. Nuclear and cytoplasmic AID expression was observed in three of 32 mixed non-seminomatous germ cell tumours. The results provide evidence for a physiological role for AID outside the immune system. AID expression in spermatocytes points to a role in meiosis. It remains uncertain whether AID may also contribute to the genetic aberrations characteristically found in testicular germ cell tumours. The consistent absence of detectable AID expression in atypical spermatogonia of IGCNU and its rare expression in germ cell tumours suggest that continued expression of AID is not involved in the pathogenesis of germ cell tumours.
Acute Compartment Syndrome of the Upper Extremity Secondary to Blunt Trauma That Resulted in Closed Disruption of an Arteriovenous Fistula in the Absence of Fracture (2013)

1Department of Orthopaedics, University Medical Center/Texas Tech University Health Sciences Center, 4801 Alberta Avenue, El Paso, TX, 79905
Subwavelength Photonic Band Gaps from Planar Fractals (2002)

We show by both experiment and theory that a specific class of planar conducting fractals possesses a series of self-similar resonances, leading to multiple gaps and pass bands for electromagnetic waves over an ultrawide frequency range. A double stack of these fractal patterns exhibits polarization-independent absolute gaps over a wide range of incidence angles. These characteristics are retained even when the fractal patterns are significantly subwavelength in all dimensions. In addition, the transmittance can be modulated by an external current source.
Aggregation Kinetics of Colloidal Particles Measured by Gas-Phase Differential Mobility Analysis (2008)

We demonstrate the utility of electrospray gas-phase ion-mobility analysis as a new method to investigate nanoparticle flocculation, or aggregation. Au nanoparticle (Au-NP) solutions were sampled via electrospray (ES), followed by differential ion-mobility analysis (DMA) to determine the particle mobility distribution. Multimodal size distributions obtained with ES-DMA indicated the presence of single Au-NPs (monomer) as well as larger Au-NP clusters such as dimers, trimers, and tetramers under specific solution conditions. The fraction of each aggregate species as a function of time was quantitatively characterized, from which the degree of aggregation, aggregation rate, and stability ratio at different ionic strengths were determined. The latter enabled the extraction of a surface potential (or surface charge density) of 64 +/- 2 mV for 10 nm Au-NPs, which is in good agreement with values obtained from other methods, thus validating our approach. Our results show that ES-DMA is a valuable tool for quantitatively probing the early stages of colloidal aggregation or as a preparatory tool for the size election of aggregates.
Supplementary Data from Targeting the Cholecystokinin Receptor: A Novel Approach for Treatment and Prevention of Hepatocellular Cancer (2023)

&lt;p&gt;Supplemental Table S1 and Supplemental Figures S1-S3&lt;/p&gt;
The Effect of Bombesin and Related Peptides on Prolactin and Growth Hormone Secretion in the Rat* (1978)

Bombesin and other related peptides isolated from the skin of anuran species and found in mammalian brain stimulate PRL and GH release in steroid-primed male rats. On a molar basis, bombesin and alytesin are the most active peptides in this assay system. Their PRL- and GH-releasing activity is not affected by the type of anesthetics used, but their minimal effective dose is lower after intravenous administration as compared with intracisternal administration. The in vivo stimulatory effect of bombesin on PRL secretion is not modified by the histamine antagonist diphenhydramine or the opiate antagonist naloxone. By contrast, naloxone reverses the GH-releasing activity of bombesin, suggesting an opiate-dependent mechanism of action of this peptide on GH secretion. The absence of an in vitro effect of bombesin and related peptides on PRL and GH secretion and a minimal effective dose of approximately 30 ng in bombesin and alytesin administered in steroid-primed rats, make them the most active peptides reported so far to act on the brain to modify PRL and GH secretion. (Endocrinology102: 519, 1978)
The RTRT core (2005)

The overall design decisions of the RTRT/OpenRT framework are described in detail in [Wald04]. To summarize the most important points, we have chosen to only support triangles, to exploit SIMD extensions in a data-parallel way, to optimize for memory and caches, and to use BSP trees as an acceleration structure. In this chapter, we are now going to discuss the actual algorithms and implementation of these topics in more detail.