gebhart/patrepeval huggingface dataset:
1,2-Bis[5-(9-ethyl-9H-carbazol-3-yl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopentene (2011)

The title compound, C(43)H(32)F(6)N(2)S(2), is a new symmetrical photochromic diaryl-ethene derivative with 9-ethyl-carbazol-3-yl substituents. The mol-ecule adopts a photoactive anti-parallel conformation [Irie (2000). Chem. Rev.100, 1685-1716; Kobatake et al. (2002). Chem. Commun. pp. 2804-2805], with a dihedral angle between the mean planes of the two thio-phene rings of 56.23 (6)°. The distance between the two reactive C atoms is 3.497 (3) Å. In the crystal, two mol-ecules are associated through a pair of C-H⋯F inter-molecular hydrogen bonds, forming a centrosymmetric dimer. Dimers are linked by weak π-π inter-actions [centroid-centroid distance = 3.8872 (13) Å], forming chains along the c axis.
HSD3B1 and overall survival (OS) in men with low-volume (LV) metastatic prostate cancer (PCa) treated with androgen deprivation therapy (ADT) or chemohormonal therapy in the CHAARTED Randomized trial. (2019)

5020 Background: The HSD3B1(1245A &gt; C) variant allele, whose frequency varies by race, encodes a missense sequence that stabilizes the rate-limiting enzyme responsible for extragonadal androgen synthesis, thus enhancing intratumoral dihydrotestosterone (DHT) synthesis. Multiple retrospective studies have found that men inheriting the HSD3B1(1245C) variant allele exhibit early resistance to ADT. We sought to validate these findings with prospective data from the Chemohormonal Therapy versus Androgen Ablation Randomized Trial for Extensive Disease in Prostate Cancer (CHAARTED). Methods: Men with newly metastatic PCa were randomized to receive either ADT plus docetaxel at a dose of 75 mg/m 2 every 3 weeks for 6 cycles (arm A) or ADT alone (arm B). We determined germline HSD3B1 genotype in the subset of men with LV disease ( &lt; 4 bone metastases, no visceral metastases). We analyzed freedom from castration-resistant prostate cancer (CRPC) and OS according to HSD3B1 genotype using Cox and Kaplan-Meier methods. Results: 197 patients with LV disease had blood samples available and were genotyped, including 97 in arm A and 100 in arm B. Docetaxel did not improve OS of LV men. Of the 197 men, 47% were homozygous wild-type (WT), 43% were heterozygous, and 10% were homozygous variant. When all 197 men were analyzed as one goup, the median time to CRPC was 39.7 mos. in homozygous WT men vs. 25.0 mos. in men with one or more copies of the variant allele (HR 1.27, 95% CI 0.89 to 1.82; p = 0.187). Although OS data are still maturing, at 52 months OS was 83% (95% CI 75% to 91%) in homozygous WT men vs. 64% (95% CI 55% to 74%) in men with one or more variant alleles. There was a suggestion that docetaxel delayed development of CRPC among men with at least 1 variant allele (20.3 vs. 40.7 mos.; HR 0.66, 95% CI 0.40 to 1.04; p = 0.08). Benefit for men with high-volume disease was not evident. Conclusions: Inheritance of the HSD3B1(1245C) allele that augments DHT synthesis may be associated with lower OS in men treated with ADT with or without docetaxel for LV newly metastatic PCa. Additional study is warranted in patients with LV disease. Clinical trial information: NCT00309985.
Digital design of multimaterial photonic particles (2016)

Scattering of light from dielectric particles whose size is on the order of an optical wavelength underlies a plethora of visual phenomena in nature and is a foundation for optical coatings and paints. Tailoring the internal nanoscale geometry of such "photonic particles" allows tuning their optical scattering characteristics beyond those afforded by their constitutive materials-however, flexible yet scalable processing approaches to produce such particles are lacking. Here, we show that a thermally induced in-fiber fluid instability permits the "digital design" of multimaterial photonic particles: the precise allocation of high refractive-index contrast materials at independently addressable radial and azimuthal coordinates within its 3D architecture. Exploiting this unique capability in all-dielectric systems, we tune the scattering cross-section of equisized particles via radial structuring and induce polarization-sensitive scattering from spherical particles with broken internal rotational symmetry. The scalability of this fabrication strategy promises a generation of optical coatings in which sophisticated functionality is realized at the level of the individual particles.
Spatio-temporal nature of the optical return field generated by four-wave mixing in photorefractive and Kerr materials (2002)

We have theoretically analyzed the return field produced by an externally pumped Kerr medium, an externally pumped photorefractive medium, and a self-pumped photorefractive medium, for an input field with arbitrary spatial and temporal characteristics. For a stationary beam with spatial structure, all three cases yield a spatial phase-conjugate return beam. For a beam with dynamic fluctuations, each case returns a field with different temporal character. For the case of a self-pumped photorefractor, it is found that the dynamics of the return beam are represented by a conventional reflection rather than a temporal phase conjugate. While this geometry may have been thought of as a simple way to provide phase-conjugate feedback for dynamic stabilization in semiconductor lasers, an in-depth analysis shows that our theoretical findings agree with previously reported experimental results.
Roles of MOP and NOP receptors in regulating buprenorphine‐induced physiological responses in monkeys (2012)

Buprenorphine is known as a mu opioid receptor (MOP) partial agonist, but its analgesia was attenuated by activation of nociceptin/orphanin FQ peptide (NOP) receptors in rodents. The aim of this study was to investigate the roles of MOP and NOP receptors in regulating buprenorphine‐induced physiological responses in monkeys. Systemic buprenorphine (0.01–0.1 mg/kg) dose‐dependently produced antinociception, respiratory depression, and itch/scratching responses. A MOP antagonist, naltrexone 0.03 mg/kg, produced similar degrees of rightward shifts of buprenorphine's dose‐response curves for all three endpoints and confirmed that they were MOP‐mediated effects. In contrast, a NOP antagonist, J‐113397 0.1 mg/kg, did not change buprenorphine‐induced effects, indicating that there were no functional NOP receptors in buprenorphine‐induced actions. More importantly, a NOP agonist Ro 64–6198 enhanced buprenorphine‐induced antinociception, and the dose‐addition analysis revealed that systemic combination of buprenorphine and Ro 64–6198 produced superadditive antinociceptive effects. These findings provided functional evidence that co‐activation of MOP and NOP receptors produced synergistic antinociception in primates. This study strongly supports the therapeutic potential of mixed MOP/NOP agonists as innovative analgesics (Supported by USPHS grant AR‐059193).
MIMO channel characterization through ray tracing simulation (2006)

An advanced ray tracing model has been used to perform a multidimensional characterization of propagation in ideal, Manhattan-like environments. MIMO performance estimates have then been derived from ray tracing output, including capacity estimates, in a variety of cases. Results are shown and analyzed in the paper in relation to environment and propagation characteristics.
Data from Taselisib (GDC-0032), a Potent β-Sparing Small Molecule Inhibitor of PI3K, Radiosensitizes Head and Neck Squamous Carcinomas Containing Activating <i>PIK3CA</i> Alterations (2023)

&lt;div&gt;Abstract&lt;p&gt;&lt;b&gt;Purpose:&lt;/b&gt; Activating &lt;i&gt;PIK3CA&lt;/i&gt; genomic alterations are frequent in head and neck squamous cell carcinoma (HNSCC), and there is an association between phosphoinositide 3-kinase (PI3K) signaling and radioresistance. Hence, we investigated the therapeutic efficacy of inhibiting PI3K with GDC-0032, a PI3K inhibitor with potent activity against p110α, in combination with radiation in HNSCC.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Experimental Design:&lt;/b&gt; The efficacy of GDC-0032 was assessed &lt;i&gt;in vitro&lt;/i&gt; in 26 HNSCC cell lines with crystal violet proliferation assays, and changes in PI3K signaling were measured by Western blot analysis. Cytotoxicity and radiosensitization were assessed with Annexin V staining via flow cytometry and clonogenic survival assays, respectively. DNA damage repair was assessed with immunofluorescence for γH2AX foci, and cell cycle analysis was performed with flow cytometry. &lt;i&gt;In vivo&lt;/i&gt; efficacy of GDC-0032 and radiation was assessed in xenografts implanted into nude mice.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Results:&lt;/b&gt; GDC-0032 inhibited potently PI3K signaling and displayed greater antiproliferative activity in HNSCC cell lines with &lt;i&gt;PIK3CA&lt;/i&gt; mutations or amplification, whereas cell lines with &lt;i&gt;PTEN&lt;/i&gt; alterations were relatively resistant to its effects. Pretreatment with GDC-0032 radiosensitized &lt;i&gt;PIK3CA&lt;/i&gt;-mutant HNSCC cells, enhanced radiation-induced apoptosis, impaired DNA damage repair, and prolonged G&lt;sub&gt;2&lt;/sub&gt;–M arrest following irradiation. Furthermore, combined GDC-0032 and radiation was more effective than either treatment alone &lt;i&gt;in vivo&lt;/i&gt; in subcutaneous xenograft models.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Conclusions:&lt;/b&gt; GDC-0032 has increased potency in HNSCC cell lines harboring &lt;i&gt;PIK3CA&lt;/i&gt;-activating aberrations. Further, combined GDC-0032 and radiotherapy was more efficacious than either treatment alone in &lt;i&gt;PIK3CA&lt;/i&gt;-altered HNSCC &lt;i&gt;in vitro&lt;/i&gt; and &lt;i&gt;in vivo&lt;/i&gt;. This strategy warrants further clinical investigation. &lt;i&gt;Clin Cancer Res; 22(8); 2009–19. ©2015 AACR&lt;/i&gt;.&lt;/p&gt;&lt;/div&gt;
Water‐Soluble Dendrimeric Two‐Photon Tracers for In Vivo Imaging (2006)

In einer (Nuss)schale: Kovalent eingewickelt in eine schützende und Löslichkeit vermittelnde Dendrimerschale (siehe Bild) wird ein ursprünglich hydrophobes Zweiphotonenfluorophor zu einem stark emittierenden, biokompatiblen Kontrastmittel für die In-vivo-Bildgebung durch Multiphotonenmikroskopie. Supporting Information for this article (synthesis of chromophores Q and Q′; preparation of dendrimers G1–G3; experimental details of spectroscopic measurements; comparison of emission spectra of G1–G3 in water and ethanol (Figure S1); fluorescence anisotropy results) is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2006/z601246_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Fragment Based Optimization of Metabotropic Glutamate Receptor 2 (mGluR2) Positive Allosteric Modulators in the Absence of Structural Information (2018)

Metabotropic glutamate receptor 2 (mGluR2) positive allosteric modulators (PAMs) have been implicated as potential pharmacotherapy for psychiatric conditions. Screening our corporate compound deck, we identified a benzotriazole fragment (4) that was rapidly optimized to a potent and metabolically stable early lead (16). The highly lipophilic character of 16, together with its limited solubility, permeability, and high protein binding, however, did not allow reaching of the proof of concept in vivo. Since further attempts on the optimization of druglike properties were unsuccessful, the original hit 4 has been revisited and was optimized following the principles of fragment based drug discovery (FBDD). Lacking structural information on the receptor-ligand complex, we implemented a group efficiency (GE) based strategy and identified a new fragment like lead (60) with more balanced profile. Significant improvement achieved on the druglike properties nominated the compound for in vivo proof of concept studies that revealed the chemotype being a promising PAM lead targeting mGluR2 receptors.
Liquid-Phase Combinatorial Synthesis of Alicyclicβ-Lactams via Ugi Four-Component Reaction (2002)

[reaction: see text] Alicyclic beta-lactams were successfully synthesized via a parallel liquid-phase Ugi four-center three-component reaction (U-4C-3CR), starting from alicyclic beta-amino acids such as cis-2-aminocyclohexanecarboxylic acid, cis-2-aminocyclopentanecarboxylic acid, 2,3-diexo-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid and some of their partially unsaturated analogues. A six-membered mixture-based combinatorial library of beta-lactams was also generated.
29.2: Distinguished Paper : Wide Viewing LCDs using Novel Microstructure Film (2014)

Abstract A microstructure film has been developed to improve drastically LCD viewing angle characteristics (grayscale inversion, color shift, contrast ratio, etc.). By simply attaching it to the surface of commercially available LCD, the LCD has realized the excellent visibility without the blur of the frontal image and the reduction of the contrast ratio under bright ambient light conditions. This technology can be applied to various LCD modes including TN and MVA modes.
Evidence that a Na+/Ca2+ antiport system regulates murine erythroleukemia cell differentiation. (1982)

The Na+ and Ca2+ transport properties of cultured murine erythroleukemia (MEL) cells have been investigated. We have previously shown that amiloride prevents dimethyl sulfoxide-induced MEL cell differentiation via inhibition of an essential Ca2+ influx (levenson, R., Housman, D., and Cantley, L. (1980) Proc. Natl. Acad. Sci. U. S. A. 77, 5948-5952). Here we show that external Na+ inhibits Ca2+ influx and stimulates Ca2+ efflux from uninduced MEL cells. Increasing the internal Na+ concentration by a brief incubation of cells with ouabain stimulates the rate of 45Ca2+ influx. Amiloride (40 microM) completely blocks the external Na+-stimulated 45Ca2+ efflux and external Na+-inhibitable 45Ca2+ influx. The same concentration of amiloride had no significant effect on net Na+ uptake. These results suggest that a significant fraction of Ca2+ flux across the MEL cell plasma membrane occurs via a Na+/Ca2+ antiport system and that amiloride prevents differentiation by blocking Ca2+ influx through this system. The importance of a Na+/Ca2+ antiport system for MEL cell differentiation is supported by the following observation: increasing the cellular Na+ level by a brief treatment with ouabain plus monensin accelerates MEL cell commitment as effectively as adding the Ca2+ ionophore A23187. We suggest that dimethyl sulfoxide induces MEL cell differentiation by inhibiting the Na+ pump and consequently allowing Ca2+ influx through the Na+/Ca2+ antiport.
High-acceptance versatile microfocus module based on elliptical Fresnel zone plates for small-angle X-ray scattering (2017)

High-efficiency microfocusing of multi-keV X-rays at synchrotron sources is highly profitable for spatially resolved structural analysis of many kinds. Because radiation from synchrotron sources is typically elongated along the horizontal dimension, generating a microbeam that is isotropic in size requires a carefully designed optics system. Here we report on using a combination of a horizontally tunable slit downstream of the undulator source with elliptical diffractive Fresnel zone plates. We demonstrate the arrangement in context of small-angle X-ray scattering experiments, obtaining a microbeam of 2.2 μm × 1.8 μm (X × Y) with a flux of 1.2 × 10<sup>10</sup> photons/s at an energy of 11.2 keV at the sample position.
Nanoscale Buckling of Ultrathin Low-k Dielectric Lines during Hard-Mask Patterning (2015)

Commonly known in macroscale mechanics, buckling phenomena are now also encountered in the nanoscale world as revealed in today's cutting-edge fabrication of microelectronics. The description of nanoscale buckling requires precise dimensional and elastic moduli measurements, as well as a thorough understanding of the relationships between stresses in the system and the ensuing morphologies. Here, we analyze quantitatively the buckling mechanics of organosilicate fins that are capped with hard masks in the process of lithographic formation of deep interconnects. We propose an analytical model that quantitatively describes the morphologies of the buckled fins generated by residual stresses in the hard mask. Using measurements of mechanical properties and geometric characteristics, we have verified the predictions of the analytical model for structures with various degrees of buckling, thus putting forth a framework for guiding the design of future nanoscale interconnect architectures.
Low-Intensity Ultrasound Stimulates Proteoglycan Synthesis in Rat Chondrocytes by Increasing Aggrecan Gene Expression (2000)

JBJS was founded by the American Orthopaedic Association in 1903 and is the Official Journal of the American Orthopaedic Association. EXCELLENCE THROUGH PEER REVIEW The Journal of Bone & Joint Surgery (JBJS) has been the most valued source of information for orthopaedic surgeons and researchers for over 125 years and is the gold standard in peer-reviewed scientific information in the field. A core journal and essential reading for general as well as specialist orthopaedic surgeons worldwide, JBJS publishes evidence-based research to enhance the quality of care for orthopaedic patients. Standards of excellence and high quality are maintained in everything we do, from the science of the content published to the customer service we provide. JBJS is an independent, non-profit journal. JBJS.org is the version of record of The Journal of Bone & Joint Surgery. JBJS is published twice a month on the first and third Wednesday of each month, each time adding to a comprehensive PDF archive dating back to 1889. Additional features online include: article commenting, social sharing links, instructional videos, podcasts, and continuing medical education activities. Contributions from anywhere in the world are welcome and considered on their merits. The manuscript must be written in English and should be submitted as outlined in the Instructions for Authors. Manuscripts are subject to blinded peer review by experts and a final decision by the editor. Papers are judged by the quality and relevance of the work. Our aim is to publish the best material available from anywhere in the world.
Supplementary File 5 from Genome-Wide Functional Synergy between Amplified and Mutated Genes in Human Breast Cancer (2023)

Supplementary File 5 from Genome-Wide Functional Synergy between Amplified and Mutated Genes in Human Breast Cancer
Release of Adenosine and ATP During Ischemia and Epilepsy (2009)

Eighty years ago Drury & Szent-Györgyi described the actions of adenosine, AMP (adenylic acid) and ATP (pyrophosphoric or diphosphoric ester of adenylic acid) on the mammalian cardiovascular system, skeletal muscle, intestinal and urinary systems. Since then considerable insight has been gleaned on the means by which these compounds act, not least of which in the distinction between the two broad classes of their respective receptors, with their many subtypes, and the ensuing diversity in cellular consequences their activation invokes. These myriad actions are of course predicated on the release of the purines into the extracellular milieu, but, surprisingly, there is still considerable ambiguity as to how this occurs in various physiological and pathophysiological conditions. In this review we summarise the release of ATP and adenosine during seizures and cerebral ischemia and discuss mechanisms by which the purines adenosine and ATP may be released from cells in the CNS under these conditions.
On the Stability Region of Maximum Weighted Matching Server Allocation Policy (2013)

In this paper, we study the stability region of a multi-server queueing system for which Maximum Weighted Matching (MWM) server allocation policy is known to be throughput-optimal. We derive a linear algebraic characterization of the system stability region polytope (or equivalently MWM stability region) by means of a finite set of linear inequalities. Such a characterization of the stability region is useful for solving network stochastic optimization problems and also evaluating the performance of MWM server allocation policy, e.g., deriving explicit performance bounds for the average queueing delay and flow measurement metrics. Furthermore, using the linear algebraic form of the stability region, we derive an upper bound for the average queueing delay of MWM policy.
Multipole-Based Cable Braid Electromagnetic Penetration Model: Electric Penetration Case (2017)

We investigate the electric penetration case of the first principles multipole-based cable braid electromagnetic penetration model reported in the Progress in Electromagnetics Research B 66, 63-89 (2016). We first analyze the case of a 1-D array of wires: this is a problem which is interesting on its own, and we report its modeling based on a multipole-conformal mapping expansion and extension by means of Laplace solutions in bipolar coordinates. We then compare the elastance (inverse of capacitance) results from our first principles cable braid electromagnetic penetration model to that obtained using the multipole-conformal mapping bipolar solution. These results are found in a good agreement up to a radius to half spacing ratio of 0.6, demonstrating a robustness needed for many commercial cables. We then analyze realistic cable implementations without dielectrics and compare the results from our first principles braid electromagnetic penetration model to the semiempirical results reported by Kley in the IEEE Transactions on Electromagnetic Compatibility 35, 1-9 (1993). Although we find results on the same order of magnitude of Kley's results, the full dependence on the actual cable geometry is accounted for only in our proposed multipole model which, in addition, enables us to treat perturbations from those commercial cables measured.
Functional and evolutionary relatedness of genes for exopolysaccharide synthesis in Rhizobium meliloti and Rhizobium sp. strain NGR234 (1990)

Rhizobium meliloti SU47 and Rhizobium sp. strain NGR234 produce distinct exopolysaccharides that have some similarities in structure. R. meliloti has a narrow host range, whereas Rhizobium strain NGR234 has a very broad host range. In cross-species complementation and hybridization experiments, we found that several of the genes required for the production of the two polysaccharides were functionally interchangeable and similar in evolutionary origin. NGR234 exoC and exoY corresponded to R. meliloti exoB and exoF, respectively. NGR234 exoD was found to be an operon that included genes equivalent to exoM, exoA, and exoL in R. meliloti. Complementation of R. meliloti exoP, -N, and -G by NGR234 R'3222 indicated that additional equivalent genes remain to be found on the R-prime. We were not able to complement NGR234 exoB with R. meliloti DNA. In addition to functional and evolutionary equivalence of individual genes, the general organization of the exo regions was similar between the two species. It is likely that the same ancestral genes were used in the evolution of both exopolysaccharide biosynthetic pathways and probably of pathways in other species as well.
Arctic Sea Ice Extent Plummets in 2007 (2008)

Arctic sea ice declined rapidly to unprecedented low extents in the summer of 2007, raising concern that the Arctic may be on the verge of a fundamental transition toward a seasonal ice cover. Arctic sea ice extent typically attains a seasonal maximum in March and minimum in September. Over the course of the modern satellite record (1979 to present), sea ice extent has declined significantly in all months, with the decline being most pronounced in September. By mid‐July 2007, it was clear that a new record low would be set during the summer of 2007.