gebhart/patrepeval huggingface dataset:
Molecular orbitals in chemistry, physics, and biology (Lowdin, Per-Olov; Pullman, Bernard; eds.) (1965)

ADVERTISEMENT RETURN TO ISSUEPREVBook and Media Revie...Book and Media ReviewNEXTMolecular orbitals in chemistry, physics, and biology (Lowdin, Per-Olov; Pullman, Bernard; eds.)Harry B. Gray Cite this: J. Chem. Educ. 1965, 42, 3, A224Publication Date (Print):March 1, 1965Publication History Received3 August 2009Published online1 March 1965Published inissue 1 March 1965https://doi.org/10.1021/ed042pA224RIGHTS & PERMISSIONSArticle Views234Altmetric-Citations-LEARN 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 InReddit PDF (668 KB) Get e-Alerts Get e-Alerts
Combination of Antioxidants and Iron Chelators During Ischaemia Reduces Reperfusion Injury. An in Vivo Experimental Study (2000)

An important phenomenon associated with reperfusion injury after acute myocardial infarction is lethal myocyte injury. Although the exact mechanism is uncertain, it is believed that oxygen free radicals may play a central role. The cardioprotective effects offered by the administration of relatively high doses of an iron chelator substance (deferoxamine, D) in combination with an antioxidant agent (ascorbic acid, Vit C) were investigated, in an experimental model.
PIK3CA mutant tumors depend on oxoglutarate dehydrogenase (2017)

Oncogenic <i>PIK3CA</i> mutations are found in a significant fraction of human cancers, but therapeutic inhibition of PI3K has only shown limited success in clinical trials. To understand how mutant PIK3CA contributes to cancer cell proliferation, we used genome scale loss-of-function screening in a large number of genomically annotated cancer cell lines. As expected, we found that <i>PIK3CA</i> mutant cancer cells require <i>PIK3CA</i> but also require the expression of the TCA cycle enzyme 2-oxoglutarate dehydrogenase (OGDH). To understand the relationship between oncogenic PIK3CA and OGDH function, we interrogated metabolic requirements and found an increased reliance on glucose metabolism to sustain <i>PIK3CA</i> mutant cell proliferation. Functional metabolic studies revealed that OGDH suppression increased levels of the metabolite 2-oxoglutarate (2OG). We found that this increase in 2OG levels, either by OGDH suppression or exogenous 2OG treatment, resulted in aspartate depletion that was specifically manifested as auxotrophy within <i>PIK3CA</i> mutant cells. Reduced levels of aspartate deregulated the malate-aspartate shuttle, which is important for cytoplasmic NAD<sup>+</sup> regeneration that sustains rapid glucose breakdown through glycolysis. Consequently, because <i>PIK3CA</i> mutant cells exhibit a profound reliance on glucose metabolism, malate-aspartate shuttle deregulation leads to a specific proliferative block due to the inability to maintain NAD<sup>+</sup>/NADH homeostasis. Together these observations define a precise metabolic vulnerability imposed by a recurrently mutated oncogene.
Structural Basis for Phosphatidylinositol Phosphate Kinase Type Iγ Binding to Talin at Focal Adhesions (2004)

The cytoskeletal protein talin binds to a short C-terminal sequence in phosphatidylinositol phosphate kinase type Igamma (PIPKIgamma), activating the enzyme and promoting the local production of phosphatidylinositol 4,5 bisphosphate, which regulates focal adhesion dynamics as well as clathrin-mediated endocytosis in neuronal cells. Here we show by crystallographic, NMR, and calorimetric analysis that the phosphotyrosine binding (PTB)-like domain of talin engages the PIPKIgamma C terminus in a mode very similar to that of integrin binding. However, PIPKIgamma binds in the canonical PTB-peptide mode with an SPLH motif replacing the classic NPXY motif. The tighter packing of the SPLH motif against the hydrophobic core of talin may explain the stronger binding of PIPKIgamma. Two tyrosine residues flanking the SPLH motif (Tyr-644 and Tyr-649) have been implicated in the regulation of talin binding. We show that phosphorylation at Tyr-644, a Src phosphorylation site in vivo, has little effect on the binding mode or strength, which is consistent with modeling studies in which the phosphotyrosine makes surface-exposed salt bridges, and we suggest that its strong activating effect arises from the release of autoinhibitory restraints in the full-length PIPKIgamma. Modeling studies suggest that phosphorylation of Tyr-649 will likewise have little effect on talin binding, whereas phosphorylation of the SPLH serine is predicted to be strongly disruptive. Our data are consistent with the proposal that Src activity promotes a switch from integrin binding to PIPKIgamma binding that regulates focal adhesion turnover.
An insight into the corrosion of alkali aluminoborosilicate glasses in acidic environments (2019)

The majority of the literature on glass corrosion focuses on understanding the dissolution kinetics and mechanisms of silicate glass chemistries in the neutral-to-alkaline aqueous regime owing to its relevance in the fields of nuclear waste immobilization and biomaterials. However, understanding the corrosion of silicate-based glass chemistries over a broad composition space in the acidic pH regime is essential for glass packaging and touch screen electronic display industries. A thorough literature review on this topic reveals only a handful of studies that discuss acid corrosion of silicate glasses and their derivatives-these include only a narrow set of silicate-based glass chemistries. Although the current literature successfully explains the dissolution kinetics of glasses based upon classically understood aqueous corrosion mechanisms, more recent advancements in atomic-scale characterization techniques, have enabled a better understanding of reactions taking place directly at the pristine glass-fluid interface which has facilitated the development of a unifying model describing corrosion behavior of silicate glasses. Based on the corrosion mechanisms described and the questions raised in preceding literature, the present study focuses on understanding the corrosion mechanisms governing metaluminous (Na/Al = 1) sodium aluminoborosilicate glasses in acidic environments across a wide composition-space (ranging from SiO<sub>2</sub>-rich to B<sub>2</sub>O<sub>3</sub>-rich compositions), with particular emphasis on understanding the reactions taking place near the glass-fluid interface. Using state-of-the-art characterization techniques including nuclear magnetic resonance (NMR) spectroscopy, Rutherford backscattering, X-ray photoelectron spectroscopy (XPS) and elastic recoil detection analysis (ERDA), it has been shown that stepwise B<sub>2</sub>O<sub>3</sub> substitutions into nepheline (NaAlSiO<sub>4</sub>) glass, although causing non-linear changes in glass structure network structural features, leads to strikingly linear increases in the forward dissolution rate at pH = 2. While the glasses undergo congruent dissolution in the forward rate regime, the residual rate regime displays evidence of preferential extraction near the glass surface (i.e., enrichment in aluminum content upon corrosion through AlO<sub>4</sub>→ Al(OH)<sub>3</sub> evolution) implying that dissolution-re-precipitation processes may occur at the glass-fluid interface in both B<sub>2</sub>O<sub>3</sub>-rich and SiO<sub>2</sub>-rich glass compositions-albeit with vastly dissimilar reaction kinetics.
Block parallel programming for real-time applications on multi-core processors (2008)

This thesis presents a streaming block-parallel programming language for describing applications with hard real-time constraints and several transformations for parallelizing and mapping such applications to many-core architectures. The language parameterizes the data movement within the application in such a manner as to enable simple application analysis and rapid software development. Key enhancements for both programmer productivity and application analyzability include the use of native two-dimensional data streams to simplify image processing algorithms, flexible control distribution for intuitive and analyzable synchronous and asynchronous control, explicit data dependency edges for specifying limited parallelism, and multiple computation methods per kernel. The benefits of this application description are shown through the intuitive analyses and manipulations required to parallelize, buffer, and map such applications to a many-core architecture while insuring that they meet their real-time computation requirements. 
To evaluate this programming approach, a program analysis and manipulation framework and a cycle-accurate simulation environment were constructed. These were used to automatically analyze, parallelize, buffer, and execute a variety of test programs to ensure that they met their specified real-time constraints. The results suggest that this block-parallel programming approach is both easier to use and analyze than previous streaming programming models.
Prostate Cancer and Neuroendocrine Differentiation: More Neuronal, Less Endocrine? (2015)

Neuroendocrine differentiation (NED) marks a structural and functional feature of certain cancers, including prostate cancer (PCa), whereby the malignant tissue contains a significant proportion of cells displaying neuronal, endocrine, or mixed features. NED cells produce, and can secrete, a cocktail of mediators commonly encountered in the nervous system, which may stimulate and coordinate cancer growth. In PCa, NED appears during advanced stages, subsequent to treatment, and accompanies treatment resistance and poor prognosis. However, the term "neuroendocrine" in this context is intrinsically vague. This article seeks to provide a framework on which a unified view of NED might emerge. First, we review the mutually beneficial interplay between PCa and neural structures, mainly supported by cell biology experiments and neurological conditions. Next, we address the correlations between PCa and neural functions, as described in the literature. Based upon the integration of clinical and basic observations, we suggest that it is legitimate to seek for true neural differentiation, or neuromimicry, in cancer progression, most notably in PCa cells exhibiting what is commonly described as NED.
Coexistence of Two Chiral Helices Produces Kink Translation in Spiroplasma Swimming (2020)

The mechanism underlying <i>Spiroplasma</i> swimming is an enigma. This small bacterium possesses two helical shapes with opposite-handedness at a time, and the boundary between them, called a kink, travels down, possibly accompanying the dual rotations of these physically connected helical structures, without any rotary motors such as flagella. Although the outline of dynamics and structural basis has been proposed, the underlying cause to explain the kink translation is missing. We here demonstrated that the cell morphology of <i>Spiroplasma eriocheiris</i> was fixed at the right-handed helix after motility was stopped by the addition of carbonyl cyanide 3-chlorophenylhydrazone (CCCP), and the preferential state was transformed to the other-handedness by the trigger of light irradiation. This process coupled with the generation and propagation of the artificial kink, presumably without any energy input through biological motors. These findings indicate that the coexistence of two chiral helices is sufficient to propagate the kink and thus to propel the cell body.<b>IMPORTANCE</b> Many swimming bacteria generate a propulsion force by rotating helical filaments like a propeller. However, the nonflagellated bacteria <i>Spiroplasma</i> spp. swim without the use of the appendages. The tiny wall-less bacteria possess two chiral helices at a time, and the boundary called a kink travels down, possibly accompanying the dual rotations of the helices. To solve this enigma, we developed an assay to determine the handedness of the body helices at the single-wind level, and demonstrated that the coexistence of body helices triggers the translation of the kink and that the cell body moves by the resultant cell bend propagation. This finding provides us a totally new aspect of bacterial motility, where the body functions as a transformable screw to propel itself forward.
Morphological transformation of Helicobacter pylori during prolonged incubation: association with decreased acid resistance. (1994)

The survival of clinical isolates of H pylori at two cultural ages (two and four days) at pH 2, in the presence of different buffers, with and without urea, was investigated. It was found that the morphological changes which occur with longer incubation of H pylori have an inverse correlation with its resistance to an acidic environment. The finding that the addition of urea almost reversed this phenomenon and prolonged survival of the cultures emphasises the role of urea in the survival of H pylori in acidic environments.
Design of Two-Dimensionally Curved Panels for Sandwich Cores (2003)

Alternatives to honeycomb and corrugated core sandwich designs are explored to provide inexpensive and comparable performing sub-laminates that can be easily manufactured into more complex shapes. The core designs utilize two-dimensionally curved 1 panels that can be manufactured using common manufacturing methods such as rolling, thermoforming, and stamping. The panels are designed using mathematical formulas and algorithms to provide quasi-isotropic behavior in bending. Experimental results indicate that these designs can provide comparable performance to honeycomb core laminates.
Simulation of Inhomogeneous Materials Evolution in Hot Rolling Using a Layer Model (2014)

A fast simulation of the inhomogeneous materials evolution during the deformation steps and its effect on subsequent processes is demanded for the development of new technologies for materials with a homogeneous microstructure. In the paper a layer model for flat hot and cold rolling is presented. A deepened understanding of the influence of inhomogeneities in material state and material flow on the whole process can be reached due to the introduction of a new computational concept for variable layer thickness distributions in the layer model. The concept will be explained and the additional information obtained concerning the influence of shear, local residual stresses as well as inhomogeneous stress and strain states in the roll gap on the microstructure evolution will be presented and discussed.
Simultaneous determination of CKM angle γ and charm mixing parameters (2021)

A bstract A combination of measurements sensitive to the CP violation angle γ of the Cabibbo-Kobayashi-Maskawa unitarity triangle and to the charm mixing parameters that describe oscillations between D 0 and $$ \overline{D} $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mover> <mml:mi>D</mml:mi> <mml:mo>¯</mml:mo> </mml:mover> </mml:math> 0 mesons is performed. Results from the charm and beauty sectors, based on data collected with the LHCb detector at CERN’s Large Hadron Collider, are combined for the first time. This method provides an improvement on the precision of the charm mixing parameter y by a factor of two with respect to the current world average. The charm mixing parameters are determined to be $$ x=\left({0.400}_{-0.053}^{+0.052}\right)\% $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>x</mml:mi> <mml:mo>=</mml:mo> <mml:mfenced> <mml:msubsup> <mml:mn>0.400</mml:mn> <mml:mrow> <mml:mo>−</mml:mo> <mml:mn>0.053</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> <mml:mn>0.052</mml:mn> </mml:mrow> </mml:msubsup> </mml:mfenced> <mml:mo>%</mml:mo> </mml:math> and y = $$ \left({0.630}_{-0.030}^{+0.033}\right)\% $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mfenced> <mml:msubsup> <mml:mn>0.630</mml:mn> <mml:mrow> <mml:mo>−</mml:mo> <mml:mn>0.030</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> <mml:mn>0.033</mml:mn> </mml:mrow> </mml:msubsup> </mml:mfenced> <mml:mo>%</mml:mo> </mml:math> . The angle γ is found to be γ = $$ \left({65.4}_{-4.2}^{+3.8}\right){}^{\circ} $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mfenced> <mml:msubsup> <mml:mn>65.4</mml:mn> <mml:mrow> <mml:mo>−</mml:mo> <mml:mn>4.2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> <mml:mn>3.8</mml:mn> </mml:mrow> </mml:msubsup> </mml:mfenced> <mml:mo>°</mml:mo> </mml:math> and is the most precise determination from a single experiment.
Frequency translation through fractional division for a two-channel pulling mitigation (2013)

We present a two-channel RF generation system for a 2 GHz basestation transmitter that avoids pulling due to various parasitic coupling paths, especially between a strong RF output and a sensitive LC-tank of an RF oscillator. This is achieved through a fractional frequency translation by means of a programmable fractional divider realized as a dynamic edge selector of eight oscillator phases. This way, the integer harmonic frequency relationship of victims/aggressors within and between the RF transmission channels is avoided, thus rendered harmless in the creation of injection pulling spurs. The proposed method can push the injection pulling spurs far away from the carrier and at an infinitesimal power level below -80 dBc. The pulling mitigation for two RF channels has been verified in a 65-nm CMOS testchip that occupies 0.56×1.46 mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> area and emits -156 dBc/Hz noise floor. An RF oscillator is realized as a class-C topology without tail current source.
β‐Chemokine production by neural and glial progenitor cells is enhanced by HIV‐1 Tat: effects on microglial migration (2010)

Human immunodeficiency virus (HIV)-1 neuropathology results from collective effects of viral proteins and inflammatory mediators on several cell types. Significant damage is mediated indirectly through inflammatory conditions promulgated by glial cells, including microglia that are productively infected by HIV-1, and astroglia. Neural and glial progenitors exist in both developing and adult brains. To determine whether progenitors are targets of HIV-1, a multi-plex assay was performed to assess chemokine/cytokine expression after treatment with viral proteins transactivator of transcription (Tat) or glycoprotein 120 (gp120). In the initial screen, ten analytes were basally released by murine striatal progenitors. The beta-chemokines CCL5/regulated upon activation, normal T cell expressed and secreted, CCL3/macrophage inflammatory protein-1alpha, and CCL4/macrophage inflammatory protein-1beta were increased by 12-h exposure to HIV-1 Tat. Secreted factors from Tat-treated progenitors were chemoattractive towards microglia, an effect blocked by 2D7 anti-CCR5 antibody pre-treatment. Tat and opiates have interactive effects on astroglial chemokine secretion, but this interaction did not occur in progenitors. gp120 did not affect chemokine/cytokine release, although both CCR5 and CXCR4, which serve as gp120 co-receptors, were detected in progenitors. We postulate that chemokine production by progenitors may be a normal, adaptive process that encourages immune inspection of newly generated cells. Pathogens such as HIV might usurp this function to create a maladaptive state, especially during development or regeneration, when progenitors are numerous.
Are you laughing at me? Neural correlates of social intent attribution to auditory and visual laughter (2019)

Laughter is a multifaceted signal, which can convey social acceptance facilitating social bonding as well as social rejection inflicting social pain. In the current study, we addressed the neural correlates of social intent attribution to auditory or visual laughter within an fMRI study to identify brain areas showing linear increases of activation with social intent ratings. Negative social intent attributions were associated with activation increases within the medial prefrontal cortex/anterior cingulate cortex (mPFC/ACC). Interestingly, negative social intent attributions of auditory laughter were represented more rostral than visual laughter within this area. Our findings corroborate the role of the mPFC/ACC as key node for processing "social pain" with distinct modality-specific subregions. Other brain areas that showed an increase of activation included bilateral inferior frontal gyrus and right superior/middle temporal gyrus (STG/MTG) for visually presented laughter and bilateral STG for auditory presented laughter with no overlap across modalities. Similarly, positive social intent attributions were linked to hemodynamic responses within the right inferior parietal lobe and right middle frontal gyrus, but there was no overlap of activity for visual and auditory laughter. Our findings demonstrate that social intent attribution to auditory and visual laughter is located in neighboring, but spatially distinct neural structures.
A Code Generation Framework for Time-Triggered Real-Time Systems (2009)

We propose ttCodeGen, a flexible code generation framework for potentially distributed, time-triggered real-time systems. It is designed for developing systems based on the Logical Execution Time (LET) programming paradigm which enables the platform independent description of the timing behavior of such systems. The ttCodeGen framework covers both code generation on node level as well as the generation of a communication schedule for the bus connecting the nodes. For that purpose task and communication schedules must be generated. Those schedules influence each other and consequently our framework deals with their interdependence. The framework is extensible by the use of plug-ins, which are used to support specific node platforms and communication protocols and therefore guarantee a clear separation of platform independent from platform dependent concerns. We present the plug-in interfaces and describe sample plug-ins we developed for the FlexRay communication bus using two hardware platforms with FlexRay controllers.