gebhart/patrepeval huggingface dataset:
How to Determine the Role of an Additive on the Length of Supramolecular Polymers? (2020)

In polymer chemistry, modulation of sequence and control over chain length are routinely applied to alter and fine-tune the properties of covalent (co)polymers. For supramolecular polymers, the same principles underlying this control have not been fully elucidated up to this date. Particularly, rational control over molecular weight in dynamic supramolecular polymers is not trivial, especially when a cooperative mechanism is operative. We start this review by summarizing how molecular-weight control has been achieved in seminal examples in the field of supramolecular polymerizations. Following this, we propose to classify the avenues taken to control molecular weights in supramolecular polymerizations. We focus on dynamic cooperative supramolecular polymerization as this is the most challenging in terms of molecular weight control. We use a mass-balance equilibrium model to predict how the nature of the interaction of an additive B with the monomers and supramolecular polymers of component A affects the degree of aggregation and the degree of polymerization. We put forward a classification system that distinguishes between B acting as a chain capper, a sequestrator, a comonomer, or an intercalator. We also highlight the experimental methods applied to probe supramolecular polymerization processes, the type of information they provide in relation to molecular weight and degree of aggregation, and how this can be used to classify the role of B. The guidelines and classification delineated in this review to assess and control molecular weights in supramolecular polymers can serve to reevaluate exciting systems present in current literature and contribute to broaden the understanding of multicomponent systems.
Rapid amide proton exchange rates in peptides and proteins measured by solvent quenching and two‐dimensional NMR (1995)

In an effort to develop a more versatile quenched hydrogen exchange method for studies of peptide conformation and protein-ligand interactions, the mechanism of amide proton exchange for model peptides in DMSO-D2O mixtures was investigated by NMR methods. As in water, H-D exchange rates in the presence of 90% or 95% DMSO exhibit characteristic acid- and base-catalyzed processes and negligible water catalysis. However, the base-catalyzed rate is suppressed by as much as four orders of magnitude in 95% DMSO. As a result, the pH at which the exchange rate goes through a minimum is shifted up by about two pH units and the minimum exchange rate is approximately 100-fold reduced relative to that in D2O. The solvent-dependent decrease in base-catalyzed exchange rates can be attributed primarily to a large increase in pKa values for the NH group, whereas solvent effects on pKW seem less important. Addition of toluene and cyclohexane resulted in improved proton NMR chemical shift dispersion. The dramatic reduction in exchange rates observed in the solvent mixture at optimal pH makes it possible to apply 2D NMR for NH exchange measurements on peptides under conditions where rates are too rapid for direct NMR analysis. To test this solvent-quenching method, melittin was exchanged in D2O (pH 3.2, 12 degrees C), aliquots were quenched by rapid freezing, lyophilized, and dissolved in quenching buffer (70% DMSO, 25% toluene, 4% D2O, 1% cyclohexane, 75 mM dichloroacetic acid) for NMR analysis. Exchange rates for 21 amide protons were measured by recording 2D NMR spectra on a series of samples quenched at different times. The results are consistent with a monomeric unfolded conformation of melittin at acidic pH. The ability to trap labile protons by solvent quenching makes it possible to extend amide protection studies to peptide ligands or labile protons on the surface of a protein involved in macromolecular interactions.
Algorithm Determines Wind Speed and Direction from Venturi-Sensor Data (2004)

An algorithm computes the velocity of wind from the readings of an instrument like the one described in another Tech Brief. To recapitulate: The sensor has no moving parts and is a compact, rugged means of measuring wind vectors having magnitudes of as much as 300 mph (134 m/s). The sensor includes a Venturi gap bounded by a curved upper and a curved lower surface that are axisymmetric with respect to a vertical axis and mirror-symmetric with respect to a horizontal midplane. One of the curved surfaces is instrumented with multiple ports for measuring dynamic pressures. The sensor also incorporates auxiliary sensors for measuring temperature, relative humidity, and static atmospheric pressure. The design and operation of the sensor are based on the concepts of (1) using Bernoulli's equation (which expresses the relationship among variations of speed, density, and pressure along a streamline) to calculate the speed of the wind from differences among the pressure readings at the various ports; and (2) calculating the direction of the wind from the angular positions of ports selected according to comparisons among their pressure readings. The present algorithm performs these calculations.
In Situ Incorporation of Doxorubicin in Copolymer Particles During Suspension Polymerization (2012)

Abstract Summary: This work reports the kinetic behavior and the molecular properties of obtained copolymers during vinyl acetate and methyl methacrylate suspension copolymerizations in presence of doxorubicin. The obtained spherical particles are intended for use as chemoembolization agents. It is shown that the presence of doxorubicin in the reaction medium promotes significant changes in the copolymerization kinetics and final molecular weight averages of the polymer product.
Structure-activity relationships in a group of N-substituted tribromoimidazoles (1986)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure-activity relationships in a group of N-substituted tribromoimidazolesAndrea Leone-Bay, Peter E. Timony, Laddie Green, and Laurel GlaserCite this: J. Agric. Food Chem. 1986, 34, 4, 733–736Publication Date (Print):July 1, 1986Publication History Published online1 May 2002Published inissue 1 July 1986https://pubs.acs.org/doi/10.1021/jf00070a035https://doi.org/10.1021/jf00070a035research-articleACS PublicationsRequest reuse permissionsArticle Views51Altmetric-Citations1LEARN 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
Reactions of the intervening sequence of the Tetrahymena ribosomal ribonucleic acid precursor: pH dependence of cyclization and site-specific hydrolysis (1985)

During self-splicing of the Tetrahymena rRNA precursor, the intervening sequence (IVS) is excised as a unique linear molecule and subsequently cyclized. Cyclization involves formation of a phosphodiester bond between the 3' end and nucleotide 16 of the linear RNA, with release of an oligonucleotide containing the first 15 nucleotides. We find that the rate of cyclization is independent of pH in the range 4.7-9.0. A minor site of cyclization at nucleotide 20 is characterized. Cyclization to this site becomes more prominent at higher pHs, although under all conditions examined it is minor compared to cyclization at nucleotide 16. The circular IVS RNAs are unstable, undergoing hydrolysis at the phosphodiester bond that was formed during cyclization. We find that the rate of site-specific hydrolysis is first order with respect to hydroxide ion concentration, with a rate constant 10(3)-10(4)-fold greater than that of hydrolysis of strained cyclic phosphate esters. On the basis of these results, we propose that circular IVS RNA hydrolysis involves direct attack of OH- on the phosphate at the ligation junction, that particular phosphate being made particularly reactive by the folding of the RNA molecule. Cyclization, on the other hand, appears to occur by direct attack of the 3'-terminal hydroxyl group of the linear IVS RNA without prior deprotonation.
Towards improved cardiovascular management: the necessity of combining blood pressure and fluid overload (2008)

Our study illustrated the wide variability in BPsys regardless of the degree of DeltaHS. The HRP provides an invaluable tool for classifying patients in terms of BPsys and DeltaHS and the proximity of these parameters to reference ranges. This represents an important step towards more objective choice of strategies for the optimal treatment of hypertension and FO. Further studies are required to assess the prognostic and therapeutic role of the HRP.
On the usability of synthetic data for improving the robustness of deep learning-based segmentation of cardiac magnetic resonance images (2022)

Deep learning-based segmentation methods provide an effective and automated way for assessing the structure and function of the heart in cardiac magnetic resonance (CMR) images. However, despite their state-of-the-art performance on images acquired from the same source (same scanner or scanner vendor) as images used during training, their performance degrades significantly on images coming from different domains. A straightforward approach to tackle this issue consists of acquiring large quantities of multi-site and multi-vendor data, which is practically infeasible. Generative adversarial networks (GANs) for image synthesis present a promising solution for tackling data limitations in medical imaging and addressing the generalization capability of segmentation models. In this work, we explore the usability of synthesized short-axis CMR images generated using a segmentation-informed conditional GAN, to improve the robustness of heart cavity segmentation models in a variety of different settings. The GAN is trained on paired real images and corresponding segmentation maps belonging to both the heart and the surrounding tissue, reinforcing the synthesis of semantically-consistent and realistic images. First, we evaluate the segmentation performance of a model trained solely with synthetic data and show that it only slightly underperforms compared to the baseline trained with real data. By further combining real with synthetic data during training, we observe a substantial improvement in segmentation performance (up to 4% and 40% in terms of Dice score and Hausdorff distance) across multiple data-sets collected from various sites and scanner. This is additionally demonstrated across state-of-the-art 2D and 3D segmentation networks, whereby the obtained results demonstrate the potential of the proposed method in tackling the presence of the domain shift in medical data. Finally, we thoroughly analyze the quality of synthetic data and its ability to replace real MR images during training, as well as provide an insight into important aspects of utilizing synthetic images for segmentation.
Turbulence and residual gas effects in pulsed diesel jets (2006)

Diesel fuel injection strategies which involve multiple injections are currently used to reduce engine emissions. With multiple injections, combustion and pollutant formation may be influenced by interaction between fuel pulses, which is the focus of this study. Specifically, the interest is in two aspects of that interaction: turbulence effects and residual gas effects. Mixing and entrainment characteristics of a fuel pulse can be affected by turbulence generated from prior injections. This impact on mixing would have a corresponding influence on combustion characteristics. Combustion of one fuel pulse can also be affected by interaction with regions of residual product gases from prior pulses. Residual gas effects on combustion in Diesel jets are studied using Reynolds-averaged Navier-Stokes (RANS) and direct numerical simulations (DNS) with multiple-step chemical mechanisms. Findings indicate that dilution and thermal effects of residual gases are dominant, relative to the chemical effects, and can be represented using simple chemistry models. Chemical effects of residual gases are less important, but accurate representation of their influence on ignition characteristics and soot formation and oxidation requires detailed models. Residual gas effects associated with the interaction of multiple fuel pulses in Diesel combustion can improve ignition timing, flame stability, and emissions characteristics in later injection events. Large-eddy simulations (LES) of Diesel jets are used for comparison with RANS models in representing turbulence effects associated with near-field jet interactions. RANS models do not predict mixing enhancement due to turbulence generated by prior injection pulses. Rather, a large decrease in the generation of turbulent kinetic energy in subsequent pulses is observed. This decrease and the mean flow field generated by the prior injection accelerate the jet penetration. LES shows residual turbulence effects on the breakup of the head vortex and subsequent spreading and penetration of the jet. These effects are dependent on the dwell time between pulses. Consequently the effect of dwell time and the impact of pulse interaction on the coherent structures at the leading edge of a jet pulse can be investigated with LES.
Synthesis and Catalytic Hydrogenation Reactivity of a Chromium Catecholate Porous Organic Polymer (2015)

A single-site chromium catecholate POP (catPOP A2B1) was synthesized and characterized via AT-IR, XAS, and EPR spectroscopy. The well-defined, four-coordinate, 11-electron Cr(III) centers bound to catecholate POP were demonstrated to be active hydrogenation catalysts for nonpolar unsaturated organic substrates under mild conditions (5 mol % of Cr, 200 psi of H2, 60 °C). This material constitutes the first example of a well-defined, supported organometallic chromium hydrogenation precatalyst.
Relationship between combat-related traumatic injury and ultrashort term heart rate variability in a UK military cohort: findings from the ADVANCE study (2023)

These results suggest an inverse association between CRTI, higher severity and blast injury with HRV. Longitudinal studies and examination of potential mediating factors in this CRTI-HRV relationship are needed.
Synthesis of the mannosidase II inhibitor mannostatin A (1991)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of the mannosidase II inhibitor mannostatin ASpencer Knapp and T. G. Murali DharCite this: J. Org. Chem. 1991, 56, 13, 4096–4097Publication Date (Print):June 1, 1991Publication History Published online1 May 2002Published inissue 1 June 1991https://pubs.acs.org/doi/10.1021/jo00013a006https://doi.org/10.1021/jo00013a006research-articleACS PublicationsRequest reuse permissionsArticle Views233Altmetric-Citations34LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Nanoscale‐Controlled Enzymatic Degradation of Poly(L‐lactic acid) Films Using Dip‐Pen Nanolithography (2010)

Proteinase K is patterned on poly(L-lactic acid) (PLLA) film by agarose-assisted dip-pen nanolithography. Lateral biodegradation at the nanometer scale on PLLA film is faster than vertical biodegradation. The height and diameter of the patterned proteinase K dots can affect the depth of the biodegraded holes, while the concentration of the proteinase K solution (the ink used to coat the AFM tip) does not affect the biodegradation.
Carcinomatous polyarthritis. The presenting symptom of an ovarian tumor and association with a platelet activating factor (1976)

A 59-year-old white female presented with an acute polyarthritis, fever, and mental confusion. Accompanying blood changes included positive tests for rheumatoid factor and antinuclear factor, anemia, leukocytosis, thrombocytosis, and a circulating factor that stimulated serotonin release from normal platelets. Exploratory laporatomy for a mobile pelvic mass revealed an adenocarcinoma of the left ovary which was completely resected. Shortly thereafter the patient's acute symptoms subsided. After 2 years of follow-up the patient has remained free of symptoms and the serologic changes have reverted to normal.
A Convenient Synthesis of 3-Substituted 1H-Indoles (1995)

Abstract A convenient synthesis of 3-substituted 1H-indoles via functionalization of enamines, which serve as intermediates in the Leimgruber-Batcho approach, followed by reductive cyclization is described.
Evaluating and Mitigating Software Supply Chain Security Risks (2010)

The Department of Defense (DoD) is concerned that security vulnerabilities could be inserted into software that has been developed outside of the DoD's supervision or control. This report presents an initial analysis of how to evaluate and mitigate the risk that such unauthorized insertions have been made. The analysis is structured in terms of actions that should be taken in each phase of the DoD acquisition life cycle.
Synergistic imipridone‐based drug combinations for treatment of pediatric H3K27M mutant diffuse intrinsic pontine glioma (DIPG) (2021)

The H3K27M oncohistone mutation has been identified in approximately 80% of diffuse intrinsic pontine gliomas (DIPG), and now represents a potential target for urgently needed new therapies. ONC201, a first‐in‐class imipridone therapy, is known to selectively induce apoptosis of cancer cells independent of p53, and has shown efficacy against H3K27M mutant DIPG. We sought to identify synergy between ONC201 or second generation imipridones (ONC206 and ONC212), and other chemotherapeutics with known preclinical activity against DIPG. We hypothesized that second generation imipridones would demonstrate superior activity to ONC201, and that the combination of imipridones and other chemotherapeutics may be superior to single agent treatment in H3K27M mutant DIPG. Seven patient derived DIPG cell lines (SU‐DIPG‐IV, SU‐DIPG‐13, SU‐DIPG‐25, SUDIPG‐27, SU‐DIPG‐29, SU‐DIPG‐36, SF8628) were grown in culture and exposed to imipridones as a monotherapy and in combination with other FDA approved chemotherapeutics (histone de‐acetylase inhibitors [HDACi], marizomib, etoposide, and temozolomide). Cell viability was measured by CellTiter‐Glo. Dose dependent response to imipridone therapy was noted in all cell lines with half maximal inhibitory concentration (IC 50 ) of 1.46 µM, 0.11 µM, and 0.03 µM, in ONC201, ONC206, and ONC212 respectively. Synergy was identified via combination analyses, with combination indices of &lt;1 indicating some degree of synergy, and &lt;0.5 indicating very strong synergy. Strong synergy was identified between ONC201 and HDACi Panobinostat (CI 0.01), Romidepsin (CI 0.08) and protease inhibitor Marizomib (CI 0.19). Lesser synergy was demonstrated between ONC201 and Entinostat (CI 0.71) or Etoposide (CI 0.54). Importantly, temozolomide and ONC201 showed a lack of combinational efficacy against H3K27M mutant DIPG, consistent with the literature to date. Second generation imipridones showed similar synergistic effects with Panobinostat, Romidepsin, and Marizomib. Additionally, induction of apoptosis as measured by the induction of poly (ADP‐ribose) polymerase (PARP) cleavage via immunoblotting, was demonstrated with a combination of imipridones and Panobinostat. These results suggest increased sensitivity of H3K27M mutant DIPG cell lines to second generation imipridone therapies, as compared to ONC201. Additionally, there is evidence of promising synergy between imipridones and Panobinostat, Romidepsin, or Marizomib, which should be taken into consideration for future clinical trials.
Electrode Failure: Tissue, Electrical, and Material Responses (2012)

The development of invasive, rehabilitative neuroprosthetics for humans requires reliable neural probes that are capable of recording large ensembles of neurons for a long period of time. Recent advances in the development of neuroprosthetics in animals and humans have shown that communication and control can be directly derived from the central nervous system (CNS) for restoring lost motor ability. This proof of concept has opened the possibility of new therapies for the millions of individuals suffering from neurological disorders of the nervous system. The success of these therapies hinges on the ability to reliably access the relevant signals from the brain with high quality for the lifetime of the patient. As a result, research has focused on the cascade of events that follow chronic implantation of microelectrodes and temporal degradation in the signal and electrode quality: signal-to-noise ratio, noise floor, peak amplitude, and neuronal yield. Implanted microelectrodes have been reported to suffer from time-dependent degradation in signal quality due to unknown issues related to tissue interfaces.
P928The effect of right ventricular size and function on percutaneous pericardial access outcomes for electrophysiology procedure: A single center experience (2017)

Background: Percutaneous pericardial access (EpiAcc) is a valuable tool to assist mapping and ablation of epicardial focus for ventricular arrhythmias. The anterior wall of the right ventricle (RV) is probably the most vulnerable structure during EpiAcc, thus RV size and function may have a significant impact on the clinical outcomes of this procedure. Purpose: To describe the effect of RV size and function on EpiAcc outcomes. Methods: We reviewed all the patients who underwent planned EpiAcc as part of an electrophysiology ablation procedure between January 1, 2004 and July 30, 2014 at Mayo Clinic. RV size and function was abstracted from the latest echocardiogram
Fabrication of Dense Non-Circular Nanomagnetic Device Arrays Using Self-Limiting Low-Energy Glow-Discharge Processing (2013)

We describe a low-energy glow-discharge process using reactive ion etching system that enables non-circular device patterns, such as squares or hexagons, to be formed from a precursor array of uniform circular openings in polymethyl methacrylate, PMMA, defined by electron beam lithography. This technique is of a particular interest for bit-patterned magnetic recording medium fabrication, where close packed square magnetic bits may improve its recording performance. The process and results of generating close packed square patterns by self-limiting low-energy glow-discharge are investigated. Dense magnetic arrays formed by electrochemical deposition of nickel over self-limiting formed molds are demonstrated.