gebhart/patrepeval huggingface dataset:
Virtual Special Issue: New Drug Modalities in Medicinal Chemistry, Pharmacology, and Translational Science (2023)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTVirtual Special Issue: New Drug Modalities in Medicinal Chemistry, Pharmacology, and Translational ScienceJeffrey AubéJeffrey AubéMore by Jeffrey Aubéhttps://orcid.org/0000-0003-1049-5767, Craig W. LindsleyCraig W. LindsleyMore by Craig W. Lindsleyhttps://orcid.org/0000-0003-0168-1445, and Christa E. MüllerChrista E. MüllerMore by Christa E. Müllerhttps://orcid.org/0000-0002-0013-6624Cite this: J. Med. Chem. 2023, 66, 12, 7669Publication Date (Web):May 3, 2023Publication History Received19 April 2023Published online3 May 2023Published inissue 22 June 2023https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c00701https://doi.org/10.1021/acs.jmedchem.3c00701editorialACS PublicationsCopyright © 2023 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views3436Altmetric-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 InRedditEmail PDF (824 KB) Get e-AlertscloseSUBJECTS:Medicinal chemistry,Molecules,Peptides and proteins,Pharmaceuticals,Pharmacokinetics Get e-Alerts
Human factors in visualization research (2004)

Visualization can provide valuable assistance for data analysis and decision making tasks. However, how people perceive and interact with a visualization tool can strongly influence their understanding of the data as well as the system's usefulness. Human factors therefore contribute significantly to the visualization process and should play an important role in the design and evaluation of visualization tools. Several research initiatives have begun to explore human factors in visualization, particularly in perception-based design. Nonetheless, visualization work involving human factors is in its infancy, and many potentially promising areas have yet to be explored. Therefore, we aim to 1) review known methodology for doing human factors research, with specific emphasis on visualization, 2) review current human factors research in visualization to provide a basis for future investigation, and 3) identify promising areas for future research.
Spanish Catalysis Society (SECAT) (2017)

“SECAT promotes the scientific and technical interaction between academia and industry, giving voice and vote to the Spanish research groups in international catalysis forums.” This and more about the Spanish Catalysis Society (SECAT) can be found in this issue's Society Profile.
Protected (Fluoroaryl)borates as Effective Counteranions for Cationic Metallocene Polymerization Catalysts (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTProtected (Fluoroaryl)borates as Effective Counteranions for Cationic Metallocene Polymerization CatalystsLi Jia, Xinmin Yang, Atsushi Ishihara, and Tobin J. MarksCite this: Organometallics 1995, 14, 7, 3135–3137Publication Date (Print):July 1, 1995Publication History Published online1 May 2002Published inissue 1 July 1995https://pubs.acs.org/doi/10.1021/om00007a006https://doi.org/10.1021/om00007a006research-articleACS PublicationsRequest reuse permissionsArticle Views447Altmetric-Citations100LEARN 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
Instrumentation in patients with spinal infection (2004)

The goal of neurosurgical intervention in the setting of spinal infection is to obtain an organism culture and the debridement of infection while maintaining neurological and mechanical stability. The authors demonstrate the effectiveness of radical debridement of infected bone and placement of instrumentation in patients with spinal infections.
An empirical model for high yield manufacturing of 10Gb/s negative chirp InP Mach-Zehnder modulators (2005)

A statistically valid empirical model is used to optimize InP Mach-Zehnder modulators to achieve high yield, wide tunability, record low insertion loss, and dispersion-limited reach superior to that of -0.7/spl alpha/ LiNbO/sub 3/ modulators.
Neuromedin U is a gut peptide that alters oral glucose tolerance by delaying gastric emptying via direct contraction of the pylorus and vagal‐dependent mechanisms (2019)

The gut-brain peptide neuromedin U (NMU) decreases food intake and body weight and improves glucose tolerance. Here, we characterized NMU as an enteropeptide and determined how it impacts glucose excursion. NMU was expressed predominantly in the proximal small intestine, and its secretion was triggered by ingestion of a mixed meal. Although a single peripheral injection of NMU in C57BL/6NRj mice prevented the rise of glycemia upon an oral but not an intraperitoneal load of glucose, it unexpectedly prevented insulin secretion, only slightly improved peripheral insulin sensitivity, and barely reduced intestinal glucose absorption. Interestingly, peripheral administration of NMU abrogated gastric emptying. NMU receptors 1 and 2 were detected in pyloric muscles and NMU was able to directly induce pyloric contraction in a dose-dependent manner ex vivo in isometric chambers. Using a modified glucose tolerance test, we demonstrate that improvement of oral glucose tolerance by NMU was essentially, if not exclusively, because of its impact on gastric emptying. Part of this effect was abolished in vagotomized (VagoX) mice, suggesting implication of the vagus tone. Accordingly, peripheral injection of NMU was associated with increased number of c-FOS-positive neurons in the nucleus of the solitary tract, which was partly prevented in VagoX mice. Finally, NMU kept its ability to improve oral glucose tolerance in obese and diabetic murine models. Together, these data demonstrate that NMU is an enteropeptide that prevents gastric emptying directly by triggering pylorus contraction and indirectly through vagal afferent neurons. This blockade consequently reduces intestinal nutrient absorption and thereby results in an apparent improved tolerance to oral glucose challenge.-Jarry, A.-C., Merah, N., Cisse, F., Cayetanot, F., Fiamma, M.-N., Willemetz, A., Gueddouri, D., Barka, B., Valet, P., Guilmeau, S., Bado, A., Le Beyec, J., Bodineau, L., Le Gall, M. Neuromedin U is a gut peptide that alters oral glucose tolerance by delaying gastric emptying via direct contraction of the pylorus and vagal-dependent mechanisms.
Structure and dynamics of the neutrophil defensins NP‐2, NP‐5, and HNP‐1: NMR studies of amide hydrogen exchange kinetics (1994)

The exchange kinetics for the slowly exchanging amide hydrogens in three defensins, rabbit NP-2, rabbit NP-5, and human HNP-1, have been measured over a range of pH at 25 degrees C using 1D and 2D NMR methods. These NHs have exchange rates 10(2) to 10(5) times slower than rates from unstructured model peptides. The observed distribution of exchange rates under these conditions can be rationalized by intramolecular hydrogen bonding of the individual NHs, solvent accessibility of the NHs, and local fluctuations in structure. The temperature dependencies of NH chemical shifts (NH temperature coefficients) were measured for the defensins and these values are consistent with the defensin structure. A comparison is made between NH exchange kinetics, NH solvent accessibility, and NH temperature coefficients of the defensins and other globular proteins. Titration of the histidine side chain in NP-2 was examined and the results are mapped to the three-dimensional structure.
Digital Optics Fabrication Techniques (2009)

This chapter contains sections titled: Holographic Origination Diamond Tool Machining Photo-reduction Microlithographic Fabrication of Digital Optics Micro-refractive Element Fabrication Techniques Direct Writing Techniques Gray-scale Optical Lithography Front/Back Side Wafer Alignments and Wafer Stacks A Summary of Fabrication Techniques
Supplementary Figure 3 from Distinct Effects of Ligand-Induced PDGFRα and PDGFRβ Signaling in the Human Rhabdomyosarcoma Tumor Cell and Stroma Cell Compartments (2023)

&lt;p&gt;PDF file - 34K, PDGFRα-positive RMS cell lines are responsive to PDGF-CC stimulation and express PDGF ligands. A, immunoblotting of PDGFRα tyrosine phosphorylation in RMS cell lines after PDGF-CC stimulation. B, cell proliferation in response to PDGF-CC stimulation. Data are presented � SD (**P&lt;0.01, Student's t test). C, qRT-PCR analysis of PDGF ligand expression in PDGFRα-positive cell lines.&lt;/p&gt;
Compact Ho:YLF-pumped ZnGeP2-based optical parametric amplifiers tunable in the molecular fingerprint regime (2020)

We report on a compact mid-infrared laser architecture, comprising a chain of $ {\rm ZnGeP}_2 $ZnGeP<sub>2</sub>-based optical parametric amplifiers (OPAs), which afford a higher energy yield ($ \mathbin{\lower.3ex\hbox{$\buildrel \lt \over{\smash{\scriptstyle\sim}\vphantom{_x}}$}} 60\;\unicode{x00B5} {\rm J} $∼<sub>x</sub><60µJ at 1 kHz) compared to most conventional OPA gain media transparent in the 2-8-µm wavelength range. Specifically, our OPA scheme allows ready tunability in the molecular fingerprint regime and is tailored for strong-field excitation and coherent control of both stretch and bend (or torsional) vibrational modes in molecules. The OPAs are pumped and directly seeded (via supercontinuum generation) by a 2-µm, 3-ps Ho:YLF regenerative amplifier. The compressibility of the OPA output is demonstrated by a representative measurement of the near-Gaussian temporal profile of a dispersion-compensated 105-fs idler pulse at a central wavelength of 5.1 µm, corresponding to ${\sim}6 $∼6 optical cycles. Detailed numerical simulations closely corroborate the experimental measurements, providing a benchmark and a platform to further explore the parameter space for future design, optimization, and implementation of high-energy, ultrafast, mid-infrared laser schemes.
A microcomputer-based control and simulation of an advanced IPM synchronous machine drive system for electric vehicle propulsion (1988)

Describes a high-performance microcomputer-based control and digital simulation of an inverter-fed interior permanent magnet (IPM) synchronous machine that uses a neodymium-iron-boron magnet. The fully operational four-quadrant drive system includes a constant-torque region with zero speed operation and a high-speed field-weakening constant-power region. The control uses the vector or field-oriented technique in constant-torque region with the direct axis aligned to the stator flux, whereas the constant-power region control is based on torque angle orientation of the impressed square-wave voltage. All the key feedback signals for the control are estimated with precision. The drive system is basically designed with an outer torque control loop for electric vehicle application, but speed and position control loops can be added for other industrial applications. The distributed microcomputer-based control system is based on Intel-8096 microcontroller and Texas Instruments TMS32010 type digital signal processor.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Impact of Betamethasone Pretreatment on Engrafment of Cord Blood-Derived Hematopoietic Stem Cells (2022)

Hematopoietic stem cell (HSC) transplantation is crucial to cure hematologic malignancies. Umbilical cord blood (UCB) is a source of stem cells, but 90% of UCB units are discarded due to low cellularity. Improving the engraftment capacities of CD34<sup>+</sup> stem cells would allow the use of UCB that were so far rejected. Betamethasone induces long-term transcriptomic and epigenomic changes in immune cells through glucocorticoid receptor. We hypothesize that discarded UCB could be used owing to improvements induced by betamethasone. Isolated CD34<sup>+</sup> HSC from UCB were exposed to the synthetic glucocorticoids betamethasone and fluticasone for 20 h, and cell phenotype was determined before transplantation. NSG mice were sub-lethally irradiated (1 Gy or 2 Gy) 6 h before intravenously transferring 2-5 × 10<sup>5</sup> CD34<sup>+</sup> HSC. The peripheral blood engraftment levels and the leukocyte subsets were followed up for 20 weeks using flow cytometry. At end point, the engraftment and leukocyte subsets were determined in the spleen and bone marrow. We demonstrated that betamethasone has surprising effects in recovering immune system homeostasis. Betamethasone and fluticasone increase CXCR4 and decrease HLA class II and CD54 expression in CD34<sup>+</sup> HSCs. Both glucocorticoids-exposed cells showed a similar engraftment in 2 Gy-irradiated NSG mice. Interestingly, betamethasone-exposed cells showed enhanced engraftment in 1 Gy-irradiated NSG mice, with a trend to increase regulatory T cell percentage when compared to control. Betamethasone induces alterations in CD34<sup>+</sup> HSCs and improve the engraftment, leading to a faster immune system recovery, which will contribute to engrafted cells survival.
A highly selective LNTA capable of large-signal handling for RF receiver front-ends (2013)

To achieve ultimately flexible multi-core radio operation, wide-band receiver RF front-ends must be robust against interference well in excess of the requirements usually specified by a radio standard. In this paper, a highly selective, very linear low-noise transconductance amplifier (LNTA) capable of large-signal handling for current-mode receiver (RX) front-ends is proposed and implemented in 65-nm CMOS. It is shown that by combining on-chip highQ bandpass filters with a push/pull class-AB common-gate stage, a measured 1-dB desensitization point (B <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1dB</sub> ) and large-signal IIP3 of +8 dBm and +20 dBm, respectively, can be achieved. In addition, by applying a noise cancellation technique, via an auxiliary push/pull class-AB common-source stage, the proposed LNTA measures a moderate NF of 5.9 dB, which is a very competitive number for such high value of B <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1dB</sub> . The circuit consumes 7.5 mA at 1.5 V.
Annular groove phase mask coronagraph in diamond for mid-IR wavelengths: manufacturing assessment and performance analysis (2010)

Phase-mask coronagraphs are known to provide high contrast imaging capabilities while preserving a small inner working angle, which allows searching for exoplanets or circumstellar disks with smaller telescopes or at longer wavelengths. The AGPM (Annular Groove Phase Mask, Mawet et al. 2005) is an optical vectorial vortex coronagraph (or vector vortex) induced by a rotationally symmetric subwavelength grating (i.e. with a period smaller than λ/n, λ being the observed wavelength and n the refractive index of the grating substrate). In this paper, we present our first midinfrared AGPM prototypes imprinted on a diamond substrate. We firstly give an extrapolation of the expected coronagraph performances in the N-band (~10 μm), and prospects for down-scaling the technology to the most wanted L-band (~3.5 μm). We then present the manufacturing and measurement results, using diamond-optimized microfabrication techniques such as nano-imprint lithography (NIL) and reactive ion etching (RIE). Finally, the subwavelength grating profile metrology combines surface metrology (scanning electron microscopy, atomic force microscopy, white light interferometry) with diffractometry on an optical polarimetric bench and cross correlation with theoretical simulations using rigorous coupled wave analysis (RCWA).
Hidden Danger: Spatial neglect can complicate recovery after stroke. (2009)

Recovering from a stroke, or cerebrovascular accident (CVA), is often rife with challenges. And depending on the severity, some patients never fully recover. Although it's important to treat the obvious side effects following stroke, you must watch for more subtle dysfunctions. Hidden disabilities are common after stroke and affect 225,000 to 350,000 people each year.

Years ago, we treated a stroke survivor who was having difficulties with memory and speaking as a result of the CVA. While completing the initial evaluation, the patient casually mentioned she was having difficulty staying on the road when driving. Concerned for her safety, we immediately stopped her from driving. But we were also suspicious that this new behavior indicated a more serious problem than she perceived.

This case was one of the first to peak my interest in a hidden, debilitating condition called spatial neglect. Spatial neglect is common in patients who've suffered a stroke on the right side of the brain. Health care practitioners may observe the disorder in patients, but clinicians may not be familiar with its name, science and associated treatments.

Spatial neglect can complicate recovery from even a mild stroke. It's characterized by difficulty recognizing and reacting appropriately to events in a 3-D space on the side opposite the brain injury. Objects may be ignored, or may appear displaced to the right or left. Common dangers caused by the disorder include auto accidents, falls and cooking related injuries.
Membrane activity of 3-hydroxyglutarate diesters: archival experimental information (2011)

This record contains three files. "SI-synthesis and fluorescence" contains synthetic procedures, compound characterization by NMR, MS, and HPLC, procedures for vesicle and fluorescence experiments and fluorescence spectra.. "SI-bilayer summary [dG12]" and "SI-bilayer summary [10G12]" contain bilayer clamp experimental details, summaries of bilayer traces, and activity grids for two channel-forming 3-hydroxyglutarate diesters.
Galectin-9 Signaling through TIM-3 Is Involved in Neutrophil-Mediated Gram-Negative Bacterial Killing: An Effect Abrogated within the Cystic Fibrosis Lung (2014)

The T cell Ig and mucin domain-containing molecule (TIM) family of receptors have emerged as potential therapeutic targets to correct abnormal immune function in chronic inflammatory conditions. TIM-3 serves as a functional receptor in structural cells of the airways and via the ligand galectin-9 (Gal-9) can modulate the inflammatory response. The aim of this study was to investigate TIM-3 expression and function in neutrophils, focusing on its potential role in cystic fibrosis (CF) lung disease. Results revealed that TIM-3 mRNA and protein expression values of circulating neutrophils were equal between healthy controls (n = 20) and people with CF (n = 26). TIM-3 was detected on resting neutrophil membranes by FACS analysis, and expression levels significantly increased post IL-8 or TNF-α exposure (p < 0.05). Our data suggest a novel role for TIM-3/Gal-9 signaling involving modulation of cytosolic calcium levels. Via TIM-3 interaction, Gal-9 induced neutrophil degranulation and primed the cell for enhanced NADPH oxidase activity. Killing of Pseudomonas aeruginosa was significantly increased upon bacterial opsonization with Gal-9 (p < 0.05), an effect abrogated by blockade of TIM-3 receptors. This mechanism appeared to be Gram-negative bacteria specific and mediated via Gal-9/ LPS binding. Additionally, we have demonstrated that neutrophil TIM-3/Gal-9 signaling is perturbed in the CF airways due to proteolytic degradation of the receptor. In conclusion, results suggest a novel neutrophil defect potentially contributing to the defective bacterial clearance observed in the CF airways and suggest that manipulation of the TIM-3 signaling pathway may be of therapeutic value in CF, preferably in conjunction with antiprotease treatment.
Bifunctional Behavior of Pd/Ni Nanocatalysts on MOF‐Derived Carbons for Alkaline Water‐splitting (2020)

Abstract Metal‐organic framework derived carbon (MOFDC) serves as supporting platforms for PdNi catalyst (Pd/Ni/MOFDC) and acid‐treated nickel counterpart (Pd/AT‐Ni/MOFDC). The two Pd‐based electrocatalysts are tested for alkaline water‐splitting (i. e., hydrogen evolution (HER) and oxygen evolution reactions (OER)). The results reveal better HER and OER kinetics for Pd/Ni/MOFDC than Pd/AT‐Ni/MOFDC. DFT calculations show that the high performance of the Pd/Ni/MOFDC can be associated with its high conductivity toward adsorbed OH compared to the Pd/AT‐Ni/MOFDC counterpart. The superior overall water‐splitting of Pd/Ni/MOFDC describes the synergy between Ni/Ni(OH) 2 interface and nanostructured Pd for possible future application in an electrolyzer.
Deep learning-based model observers that replicate human observers for PET imaging (2020)

Model observers that replicate human observers are useful tools for assessing image quality based on detection tasks. Linear model observers including nonprewhitening matched filters (NPWMFs) and channelized Hotelling observers (CHOs) have been widely studied and applied successfully to evaluate and optimize detection performance. However, there is still room for improvement in predicting human observer responses in detection tasks. In this study, we used a convolutional neural network to predict human observer responses in a two-alternative forced choice (2AFC) task for PET imaging. Lesion-absent and lesion-present images were reconstructed from clinical PET data with simulated lesions added to the liver and lungs and were used for the 2AFC task. We trained the convolutional neural network to discriminate images that human observers chose as lesion-present and lesion-absent in the 2AFC task. We evaluated the performance of the trained network by calculating the concordance between human observer responses and predicted responses from the network output and compared it to those of NPWMF and CHO. The trained network showed better agreement with human observers than the linear NPWMF and CHO model observers. The results demonstrate the potential for convolutional neural networks as model observers that better predict human performance. Such model observers can be used for optimizing scanner design, imaging protocols, and image reconstruction to improve lesion detection in PET imaging.