gebhart/patrepeval huggingface dataset:
Polycyclic xanthone natural products: structure, biological activity and chemical synthesis (2013)

Polycyclic xanthone natural products are a family of polyketides which are characterized by highly oxygenated, angular hexacyclic frameworks. In the last decade, this novel class of molecules has attracted noticeable attention from the synthetic and biological communities due to emerging reports of their potential use as antitumour agents. The aim of this article is to highlight the most recent developments of this subset of the xanthone family by detailing the innate challenges of the construction of this class of natural products, new synthetic approaches, and pharmacological data.
The Solid State Postcondensation of PET, 2 (2004)

Abstract Summary: A process for the solid state polycondensation of PET is proposed. It is shown that by correctly choosing the prepolymerisation conditions it is possible to crystallise the product and to directly polymerise it in a dispersed phase. This process is significantly faster than the “standard” PET processes, and allows one to obtain high molecular weights directly from a prepolymer without the need to use an intermediate solution polymerisation step. Reactor set‐up for precursor preparation and dispersed phase prepolymerisation. magnified image Reactor set‐up for precursor preparation and dispersed phase prepolymerisation.
Wide-bandgap (AgCu)(InGa)Se<inf>2</inf> absorber layers deposited by three-stage co-evaporation (2010)

Wide-bandgap (AgCu)(InGa)Se <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> absorber layers with Ga/(In+Ga) = 0.8 were deposited by a three-stage co-evaporation process using varying Se incident flux and stage-one substrate temperature. Films exhibited preferential (204)/(220) orientation and a Ga-deficient notch near the surface, both characteristics analogous to previously reported Cu(InGa)Se <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> films deposited using the same process. Increasing Se-to-metals molar flux ratio from Se/M ≈ 5 to Se/M ≈ 20 reduced process variability, but did not result in an overall improvement in device performance. Reducing stage-one substrate temperature from T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">SS</sub> = 550 to T <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">SS</sub> = 400°C also did not affect device performance. Consistent with earlier results, Ag incorporation improved wide bandgap device efficiencies from η ≈ 8% with no Ag to η ≈ 12% with Ag/(Ag+Cu) = 0.75.
High-resolution crystal structure of the catalytic domain of human dual-specificity phosphatase 26 (2013)

Dual-specificity phosphatases (DUSPs) play an important role in regulating cellular signalling pathways governing cell growth, differentiation and apoptosis. Human DUSP26 inhibits the apoptosis of cancer cells by dephosphorylating substrates such as p38 and p53. High-resolution crystal structures of the DUSP26 catalytic domain (DUSP26-C) and its C152S mutant [DUSP26-C (C152S)] have been determined at 1.67 and 2.20 Å resolution, respectively. The structure of DUSP26-C showed a novel type of domain-swapped dimer formed by extensive crossover of the C-terminal α7 helix. Taken together with the results of a phosphatase-activity assay, structural comparison with other DUSPs revealed that DUSP26-C adopts a catalytically inactive conformation of the protein tyrosine phosphate-binding loop which significantly deviates from that of canonical DUSP structures. In particular, a noticeable difference exists between DUSP26-C and the active forms of other DUSPs at the hinge region of a swapped C-terminal domain. Additionally, two significant gaps were identified between the catalytic core and its surrounding loops in DUSP26-C, which can be exploited as additional binding sites for allosteric enzyme regulation. The high-resolution structure of DUSP26-C may thus provide structural insights into the rational design of DUSP26-targeted anticancer drugs.
Companion and Point-of-Care Sensor System for Rapid Multiplexed Detection of a Panel of Infectious Disease Markers (2017)

A nanochannel-based electrochemical biosensor has been demonstrated for rapid and multiplexed detection of a panel of three biomarkers associated with rapid detection of sepsis. The label-free biosensor detected procalcitonin (PCT), lipoteichoic acid (LTA), and lipopolysaccharide (LPS) from human whole blood. The biosensor comprises a nanoporous nylon membrane integrated onto a microelectrode sensor platform for nanoconfinement effects. Charge perturbations due to biomarker binding are recorded as impedance changes using electrochemical impedance spectroscopy. The measured impedance change is used to quantitatively determine the concentration of the three biomarkers using antibody receptors from the tested sample. We were successful in detecting and quantifying the three biomarkers from whole blood. The limit of detection was 0.1 ng/mL for PCT and 1 µg/mL for LPS and LTA. The sensor was able to demonstrate a dynamic range of detection from 01.1 ng/mL to 10 µg/mL for PCT and from 1 µg/mL to 1000 µg/mL for LPS and LTA biomarkers. This novel technology has promising preliminary results toward the design of sensors for rapid and sensitive detection of the three panel biomarkers in whole blood toward diagnosis and classification of sepsis.
Antihyperlipidemic Compounds from the Fruit of Piper longum L. (2009)

A bioassay-guided isolation of an ethanol extract of the fruit of Piper longum L. yielded piperlonguminine, piperine and pipernonaline, as the main antihyperlipidemic constituents. They exhibit appreciable antihyperlipidemic activity in vivo, which is comparable to that of the commercial antihyperlipidemic drug, simvastatin.
Spatial Neglect and Anosognosia After Right Brain Stroke (2021)

This article guides neurologists' assessment of right brain cognitive disorders and describes how to efficiently assemble and direct a treatment team to address spatial neglect and unawareness of deficit.
Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy (2016)

Spinel transition metal oxides are important electrode materials for lithium-ion batteries, whose lithiation undergoes a two-step reaction, whereby intercalation and conversion occur in a sequential manner. These two reactions are known to have distinct reaction dynamics, but it is unclear how their kinetics affects the overall electrochemical response. Here we explore the lithiation of nanosized magnetite by employing a strain-sensitive, bright-field scanning transmission electron microscopy approach. This method allows direct, real-time, high-resolution visualization of how lithiation proceeds along specific reaction pathways. We find that the initial intercalation process follows a two-phase reaction sequence, whereas further lithiation leads to the coexistence of three distinct phases within single nanoparticles, which has not been previously reported to the best of our knowledge. We use phase-field theory to model and describe these non-equilibrium reaction pathways, and to directly correlate the observed phase evolution with the battery's discharge performance.
The effect of low-dose GTx-758 on free testerone levels in men with metastatic castration resistant prostate cancer (mCRPC). (2014)

60 Background: Luteinizing hormone-releasing hormone (LHRH) agents used for androgen deprivation therapy (ADT) were designed to lower total testosterone (T) levels to those achieved by orchiectomy for palliative care of advanced prostate cancer. This castration equivalent level was based upon the lower limits of quantitation (50ng/dL) of outdated assays. Contemporary assays reveal that actual total T levels in men after orchiectomy are significantly lower (&lt;20ng/dL), with 30 to 40% of men on LHRH agonists not achieving that level. There is growing literature showing that lower T levels correlate with improved outcomes. Additionally, the biologically active form of T is unbound, free T. GTx-758 (Capesaris) is an oral estrogen receptor α agonist that increases sex hormone binding globulin (SHBG), lowers free T levels, and ameliorates estrogen deficiency side effects associated with ADT. Methods: In a phase II open label study (G200712), 38 men with metastatic castration resistant prostate cancer (mCRPC) were continued on their current form of ADT along with a low dose of GTx-758, 125 mg, for at least 90 days. Exclusion criteria included men at increased risk for venous thrombolic events (VTE). Results: The initial 14 patients in this trial completed 90 days on study and are evaluable for select trial endpoints. All treated men had a greater than or equal to a 150% increase in SHBG levels. Eleven of the 14 men began the study with suboptimal castration (free T &gt;0.7 pg/ml) and 91% (10 out of 11) of these men became optimally castrated by day 90. Four out of 14 patients had a more than 45% decrease in prostate-specific antigen. Stable or improved hot flashes and bone turnover markers were observed in 71% and 73% of treated men, respectively. While some patients experienced adverse events, none were vascular related and there were no serious adverse events or VTEs. Conclusions: The majority of patients on an LHRH agonist enrolled in this phase II study had suboptimal levels of free T that were further lowered by GTx-758 administration. GTx-758 treatment resulted in stabilization and/or improvement in reported hot flashes and bone turnover, two major side effects of ADT. While the phase II clinical trial is ongoing, and full results are forthcoming, these preliminary findings show that 125 mg of GTx-758 has clinical effectiveness and is well tolerated. Exploration of 250 mg a day is planned. Clinical trial information: NCT01615120.
Fast Image Reconstruction in Ultrasound Transmission Tomography by U-net (2020)

Conventional iterative methods for image reconstruction in ultrasound transmission tomography need to perform many iterations where at each iteration one has to compute the complex forward model of ultrasound wave propagation, and hence they are time-consuming. We use a U-net neural network to accelerate the reconstruction, by training the network to map from an initial reconstruction obtained via a few iterations of L-BFGS method to the target ground truth image. Since the computation of a forward pass of the neural network is very fast, we can expect a significant acceleration using the trained network for image reconstruction. Experiments show that our trained network can replace 40 L-BFGS iterations to generate equivalent reconstructions with slightly better quantitative quality in terms of normalized root mean square error and better visual quality due to the network's denoising effect. It can achieve up to 283× speedup compared with L-BFGS method for reconstructing small-size sound speed images with 80×80 pixels. This implies that we can expect even greater acceleration effects when applying such approach to reconstruct large-size 3D images.
Identifying Nanocrystalline Domains Identified Within Oxide Aerogels Using Inverse-Fast-Fourier-Transform Techniques: Comparing Automated Mask Generation with Hand-Segmentation (2022)

Journal Article Identifying Nanocrystalline Domains Identified Within Oxide Aerogels Using Inverse-Fast-Fourier-Transform Techniques: Comparing Automated Mask Generation with Hand-Segmentation Get access Todd H Brintlinger, Todd H Brintlinger U.S. Naval Research Laboratory, Washington, DC, USA Search for other works by this author on: Oxford Academic Google Scholar Travis G Novak, Travis G Novak National Research Council Postdoctoral Associate at U.S. Naval Research Laboratory, Washington, DC, USA Search for other works by this author on: Oxford Academic Google Scholar Paul A DeSario, Paul A DeSario U.S. Naval Research Laboratory, Washington, DC, USA Search for other works by this author on: Oxford Academic Google Scholar Rhonda M Stroud, Rhonda M Stroud U.S. Naval Research Laboratory, Washington, DC, USA Search for other works by this author on: Oxford Academic Google Scholar Debra R Rolison Debra R Rolison U.S. Naval Research Laboratory, Washington, DC, USA Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 28, Issue S1, 1 August 2022, Pages 918–919, https://doi.org/10.1017/S1431927622004032 Published: 01 August 2022
High resolution transmission electron microscopy of proton-implanted gallium arsenide (1985)

High resolution transmission electron microscopy has been performed on cross-sectional specimens from high dose (1016 cm−2) H+-implanted (100) n-GaAs (300 keV at room temperature). It was found that annealing at 500 °C created small (20–50 Å) loops on {111} planes near the projected range Rp (3.2 μm). At 550–600 °C, voids surrounded by stacking faults, microtwins, and perfect dislocations were observed near the Rp. A phenomenological model explaining the observed results is proposed.
Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination (2016)

Kinetic studies conducted under both catalytic and stoichiometric conditions were employed to investigate the reductive elimination of RuPhos (2-dicyclohexylphosphino-2',6'-diisopropoxybiphenyl) based palladium amido complexes. These complexes were found to be the resting state in Pd-catalyzed cross-coupling reactions for a range of aryl halides and diarylamines. Hammett plots demonstrated that Pd(II) amido complexes derived from electron-deficient aryl halides or electron-rich diarylamines undergo faster rates of reductive elimination. A Hammett study employing SPhos (2-dicyclohexylphosphino-2',6'-dimethoxybiphenyl) and analogues of SPhos demonstrated that electron donation of the "lower" aryl group is key to the stability of the amido complex with respect to reductive elimination. The rate of reductive elimination of an amido complex based on a BrettPhos-RuPhos hybrid ligand (2-(dicyclohexylphosphino)-3,6-dimethoxy-2',6'-diisopropoxybiphenyl) demonstrated that the presence of the 3-methoxy substituent on the "upper" ring of the ligand slows the rate of reductive elimination. These studies indicate that reductive elimination occurs readily for more nucleophilic amines such as N-alkyl anilines, N,N-dialkyl amines, and primary aliphatic amines using this class of ligands.
[Nasobiliary drainage for spontaneous bile peritonitis due to cholangiocarcinoma]. (1991)

We report a case of cholangiocarcinoma presented with bile peritonitis, in which endoscopic nasobiliary drainage (ENBD) as well as pleural and abdominal drainages improved the general condition leading to a radical operation. The case was a 79-year-old woman with the chief complaints of fever and right hypochondralgia due to pleural effusion and infected ascites contaminated with bile including E. coli. However gall-stones were not recognized in any biliary trees. US-guided drainage was performed into the pleural and abdominal cavities because of poor condition. After continuous drainages, peritonitis was improved, but hematoemesis and tarry stool appeared. Emergent endoscopy revealed a multiple gastric ulcer, and the bleeding was stopped by an injection of ethanol. ERCP findings revealed a cholangiocarcinoma in superior and middle portion of the bile duct obstructed nearly completely. After improvement in general condition by ENBD, cholecystectomy, resection of extrahepatic bile duct and subtotal gastrectomy were performed followed the reconstruction with Roux-en-Y method. Postoperative course was uneventful and the patient was discharged at the postoperative 35th day. Thus, the appropriate and opportune multiple biliary drainages can save a patient with cholangiocarcinoma in poor condition and lead to tolerate the operation even if he or she is suffering from severe bile peritonitis.
NEG thin films for under controlled atmosphere MEMS packaging (2010)

Non-evaporable getter (NEG) thin films for residual gases control in micro-electro-mechanical systems (MEMS) cavities after sealing are considered. For this study, several getters are deposited and analyzed in terms of sorption performances, microstructure and activation mechanism. Compared to single layer evaporated titanium reference, the addition of a sub-layer is shown to decrease the activation temperature of the NEG. Effective pumping of nitrogen is monitored by Residual Gas Analysis (RGA). Microstructure investigation by Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) reveals no apparent modification in NEG morphology due to sub-layer addition. X-ray Photoelectron Spectroscopy (XPS) and depth profiling monitoring of NEG activation under high vacuum conditions (10−8 mbar) shows the dissolution of the NEG surface oxide in the getter bulk, along with the formation of carbide and nitride compounds. These results are in good agreement with already published results on getter alloys.
Dielectric Metasurfaces Enabling Advanced Optical Biosensors (2020)

Dielectric metasurfaces have emerged as a powerful platform for novel optical biosensors. Due to their low optical loss and strong light–matter interaction, they demonstrate several exotic optical properties, including sharp resonances, strong near-field enhancements, and the compelling capability to support magnetic modes. They also show advantages such as CMOS-compatible fabrication processes and lower resonance-induced heating compared to their plasmonic counterparts. These unique characteristics are enabling the advancement of cutting-edge sensing techniques for new applications. In this Perspective, we review the recent progress of dielectric metasurface sensors. First, the working mechanisms and properties of dielectric metasurfaces are briefly introduced by highlighting several state-of-the-art examples. Next, we describe the application of dielectric metasurfaces for label-free sensing in three different detection schemes, namely, refractometric sensing, surface-enhanced spectroscopy through Raman scattering and infrared absorption, and chiral sensing. Finally, we provide a perspective for the future directions of this exciting research field.
<title>Imaging of human tissue by optical tomography</title> (1997)

In this report we consider the merits of optical methods for use as a nonionizing diagnostic imaging tool, in relation to current imaging methods, and we discuss critical issues needing further development. Evidence of feasibility of provided by recovery of inclusions embedded in an anatomically accurate 3D map of the breast derived from MRI data. In addition, progress toward developing a practical imaging system is given by description of a general-purpose imaging device. Also discussed is the potential for expanding the utility of optical methods by development of optical contrast agents sensitive to different metabolic states, and for extending the utility of optical methods beyond diagnosis to create new strategies for rational therapeutic intervention.
Glycosidically bound aroma compounds from two strawberry fruit species, Fragaria vesca f. semperflorens and Fragaria X ananassa, cv. Korona (1991)

Abstract Capillary gas chromatographic (HRGC) and on‐line coupled HRGC‐mass spectrometrical (HRGC‐MS) identifications of bound aroma compounds from wild ( Fragaria vesca f. semperflorens ) and cultivated ( Fragaria X ananassa , cv. Korona) strawberry fruit were achieved after isolation of extracts obtained by Amberlite XAD‐2 adsorption and methanol elution followed by hydrolysis with a commercial pectinase enzyme. In F. vesca f. semperflorens 37 and F. X ananassa 33 aglycons were identified. Among them ( S )‐2‐methylbutanoic acid, benzyl alcohol, 2,5‐dimethyl‐4‐hydroxy‐2 H ‐furan‐3‐one, benzoic acid and E ‐cinnamic acid were found as major components. After per‐ O ‐methylation of a glycosidic extract isolated from F. X ananassa , HRGC‐MS revealed the occurrence of benzyl β‐D‐glucopyranoside, 2‐(4‐hydroxyphenyl)ethyl β‐D‐glucopyranoside, and the diastereomeric 2,5‐dimethyl‐4‐hydroxy‐2 H ‐furan‐3‐one β‐D‐glucopyranosides. Chiral evaluation of enzymatically liberated 2,5‐dimethyl‐4‐hydroxy‐2 H ‐furan‐3‐one carried out by on‐line multidimensional capillary gas chromatography‐mass spectrometry (MDGC‐MS) revealed the presence of a racemic mixture.
The innate immune system in cystic fibrosis lung disease (1999)

303 The story of cystic fibrosis (CF) research over the last decade has provided important lessons about the power and limitations of positional cloning of disease genes, the understanding of pathogenesis, and the development of new therapies. Studies in the 1980s identified defects in the chloride conductance properties of epithelial cells from CF patients (1). A turning point occurred in 1989 with the triumphant discovery of the gene responsible for CF by Collins, Riordan, Tsui and colleagues (2, 3). Analysis of the predicted translational product of the gene revealed a transmembrane protein that did not resemble a classic channel. The protein was called the CF transmembrane conductance regulator (CFTR) because of the previously described link between abnormalities in NaCl transport and the genetic defect. Isolation of the gene stimulated a bewildering array of studies aimed at defining the genetic basis of the disease and the biochemical and biophysical properties of the protein. Gene therapy experiments were initiated in patients by three independent groups within four years of the gene isolation (4). Despite tremendous progress by the field in these areas, an important consideration remains: What is the relationship between the genetic defect and the clinical manifestations of the disease that leads to chronic respiratory infection and respiratory compromise? Quinton (1) was the first to suggest that the genetic defect in CF causes abnormalities in the fluid lining the airway surface. An important function of this mucosal interface is to keep bacteria that are routinely inhaled from causing infection. The chronic respiratory infection associated with CF suggests this host defense is compromised. Critical validation of this hypothesis was provided by Smith et al. (5), who demonstrated that fluid recovered from cultured epithelial cells from normal individuals kills bacteria, while fluid from similar cultures of CF cells does not, providing the first direct link between a defect in CFTR and a breach in pulmonary host defense. This Perspective describes the emerging field of pulmonary host defense in the context of CF pathogenesis.