gebhart/patrepeval huggingface dataset:
Enantioresolution of Substituted 2-Methoxy-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitriles on Macrocyclic Antibiotic and Cyclodextrin Stationary Phases (1995)

Abstract Nine different 4−, or 5− substituted racemic pyridones were synthesized and resolved by reversed phase LC. Seven of the compounds showed complete or partial resolution on the vancomycin bonded phase column, while five compounds each were separated on both the teicoplanin and the β-cyclodextrin chiral stationary phase (CSPs). No enantioselective separations were obtained on α- or γ-cyclodextrin stationary phases. The antineoplastic agent methotrexate also was resolved. Structural factors that significantly altered enantioselectivity included: changing the pyridone substituent from the 4 to the 5 position or vice versa, changing the size of the substituent, changing the degree of unsaturation of the substituent and changing the nature and length of the substituent “tether”. The enantioselectivity of the two related macrocyclic antibiotic CSPs are somewhat similar but not identical. This provides a highly useful optimization approach for these columns. Frequently, when partial enantioresolution is obtained on one antibiotic CSP, a complete resolution is obtained on the related column using identical elution conditions. It is apparent that these separations (and CSPs) are highly complementary to each other.
Heterolytic N–C<sub>α</sub> Bond Cleavage in Electron Capture and Transfer Dissociation of Peptide Cations (2012)

Mass spectrometry techniques employing electron capture and electron transfer dissociation represent powerful approaches for the analysis of biological samples. Despite routine employment in analytical fields, the underlying physical processes dictating peptide fragmentation remain less understood. Among the most accepted mechanisms, the Cornell proposal of McLafferty postulates that the homolytic cleavage of N-C(α) bonds located in the peptide backbone occurs on the right (C-terminal) side of a hydrogen acceptor carbonyl group. Here, we illustrate that an alternative "enol" mechanism, based on a heterolytic N-C(α) bond cleavage located on the left (N-terminal) side of an acceptor carbonyl group, not only is thermodynamically viable but also often represents the energetically preferred cleavage route.
I<sup>−</sup>/IO<sub>3</sub><sup>−</sup>Assemblies as Promoters of Iodohydrin Formation (2007)

Abstract The direct conversion of olefins to their corresponding iodohydrins is efficient with I−/IO3 − assemblies in an aqueous acidic medium. Iodohydrins were obtained in moderately good yields at ambient reaction conditions without employing any metal catalysts. The addition of IOH across the olefin follows the Morkovnikov's rule. Keywords: iodohydrinsolefinspotassium iodatepotassium iodide
Overset simulation of a submarine and propeller in towed, self-propelled and maneuvering conditions (2013)

Simulations of the free running submarine model DARPA Suboff in a horizontal overshoot maneuver are presented. To perform the simulations, the fully appended hull was fitted with the conceptual submarine propeller E1619. The overset flow solver CFDShip-Iowa v4.5 was used to perform the computations, including coupling with the propeller code PUF-14. Propeller open water curves were obtained for two grids over a wide range of advance coefficients covering high to moderately low loads, with results compared to available experimental data. The open water curves were also simulated with the coupled CFDShip-Iowa/PUF-14 approach. While computations are performed with delayed detached-eddy simulation (DDES), simulations with Reynolds-averaged Navier–Stokes (RANS), detached-eddy simulation (DES) and with no turbulence model were also performed. Results show that RANS overly dissipates the wake while the solution with no turbulence model shows unphysical instability in the tip vortices. Overall, open water curves are predicted well by the discretized propeller and by the coupled CFDShip-Iowa/PUF-14 approach. The towed DARPA Suboff hull fitted with sail, rudders and stern planes was simulated and results were compared against experimental data, showing satisfactory results. Self-propulsion computations of the DARPA Suboff fitted with the E1619 propeller were performed and the resulting propeller performance analyzed, both using a rotating gridded propeller and the CFDShip-Iowa/PUF-14 approach. A 20/10 overshoot maneuver is demonstrated with both approaches, showing that the results are similar when the propeller remains close to straight-ahead conditions, but trends between approaches tend to diverge for large wake distortions and low advance ratios. A more complex simulation of a surfacing maneuver of the submarine in waves is demonstrated showing the potential of the approach to tackle simulations including massive free surface deformations in a realistic environment.
Hyperalgesia and blunted morphine analgesia in G protein-gated potassium channel subunit knockout mice (2002)

Our aim was to determine whether G protein-gated potassium (Kir3) channels contribute to thermonociception and morphine analgesia. Western blotting was used to probe for the presence of Kir3.1, Kir3.2, Kir3.3, and Kir3.4 subunits in the mouse brain and spinal cord. Hot-plate paw-lick latencies for wild-type, Kir3.2 knockout, Kir3.3 knockout, and Kir3.4 knockout mice were measured at 52 degrees C and 55 degrees C, following the s.c. injection of either saline or 10 mg/kg morphine. Paw-lick latencies for Kir3.4 knockout mice were similar to those of wild-type mice, consistent with the restricted expression pattern of Kir3.4 subunit in the mouse brain. In contrast, Kir3.2 knockout and Kir3.3 knockout mice displayed hyperalgesia at both temperatures tested, and both Kir3.2 knockout and Kir3.3 knockout mice displayed shorter paw-lick latencies following morphine administration, with Kir3.2 knockout mice exhibiting the more dramatic phenotype. Kir3.2/Kir3.3 double knockout mice displayed a greater degree of hyperalgesia than either the Kir3.2 knockout or Kir3.3 knockout mice, while performing similarly to Kir3.2 knockout mice following morphine administration. We conclude that G protein-gated potassium channels containing Kir3.2 and/or Kir3.3 play a significant role in responses to moderate thermal stimuli. Furthermore, the activation of Kir3 channels containing the Kir3.2 subunit contributes to the analgesia evoked by a moderate dose of morphine. As such, receptor-independent Kir3 channel agonists may represent a novel and selective class of analgesic agent.
Experimental analysis of practical aspects of hybrid welding of thick sections (2005)

Laser-Gas Metal Arc (GMA) hybrid welding is fast making the transition from laboratory to production, in industries as diverse as shipbuilding to automobile manufacturing. However, many aspects of hybrid laser welding are not well understood. This work presents a summary of recent experimental explorations into various practical aspects of hybrid welding, such as joint design, gap tolerance, welding through conventional tack welds, and others. An assortment of analyses are run, including metallurgical analysis and radiographic testing, weld formation analysis via macroscopy, mechanical properties evaluations using tensile and bend testing, and process analysis using high speed imaging.
Über zweistufige Redoxsysteme, XIII<sup>1)</sup> Bipyridylium‐, Bipyrylium‐ und Bithiopyrylium‐Salze (1973)

Abstract Es wird die Synthese der Redoxsysteme N 1–N 3, O 1–O 3 und S 1–S 3 beschrieben, die alle in drei Oxidationsstufen (Red, Sem und Ox) auftreten, von denen die meisten in Substanz isoliert wurden. Außerdem wird eine ergiebige Synthese für unsymmetrisch substituierte 4,4′‐Bipyridyle mitgeteilt. – Die Elektronenspektren der Formen Red und Ox ähneln sich, während die Form Sem stets charakteristische langwellige Banden aufweist ( N, O, S ), deren Lage von den α‐ständigen Substituenten (H; CH 3 ; C 6 H 5 ) beeinflußt wird. Alle Systeme zeigen zwei reversible Einelektronenübergänge mit K Sem = 10 3 –10 6 . Die Systeme O und S verhalten sich sehr ähnlich, während N wesentlich negativere Potentiale aufweist. Mit wachsender Konzentration dimerisiert O1 Sem BF 4 ‐ reversibel in Methylenchlorid.
Risk factors for stomatitis in patients with lymphangioleiomyomatosis during treatment with sirolimus: A multicenter investigator‐initiated prospective study (2017)

Baseline Hb levels and a decrease in mean corpuscular volume during treatment were correlated with the incidence of stomatitis.
MOVPE growth of InGaAsN films on Ge(001) on‐axis and vicinal substrates (2011)

Abstract The InGaAsN films were grown on Ge(001) on‐axis and vicinal substrates by MOVPE varying the N concentration. Their surface morphologies and photoluminescence (PL) properties were investigated comparatively. The AFM images show submicron‐sized anti‐phase domains (APDs) for the growth on the on‐axis substrates, while the single‐phase domains with improved surface flatness are observed on the vicinal substrates. Lattice‐matched InGaAsN film with In = 12.5% and N = 4.2% gives the 1.0 eV PL peak energy as is aimed at. The PL property shows basically no change on the vicinal substrates from the on‐axis ones despite the extinction of the APDs. The temperature dependence of the PL peak energy shows the characteristic S‐shape behavior, indicating the potential fluctuations due to the non‐uniformity of N incorporation. The magnitude of the potential fluctuations estimated from the differences between the observed PL peak energies and the Varshni fitting curves suggests that the vicinal substrates may somehow degrade the compositional uniformity. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Reverse-mode microdroplet liquid crystal display (1990)

This paper presents the production of the a reverse-mode microdroplet liquid crystal (RMLC) light shutter display. In this unit, the display is formed by a thin polymer film with dispersed liquid crystal microdroplets. The display is light transmissive in the absence of an applied electrical field. The display is converted to a non-transmissive state (i.e. absorbing or scattering) when an electrical field is applied. The "off' and "on" state. of this display are thus exactly opposite to that encountered in "normal-mode" microdroplet liquid crystal display devices such as polymer dispersed liquid crystals (PDLC)15 or Nematic Curvilinear Aligned Phase (NCAP)6. The Reverse Mode Microdroplet Liquid Crystal is obtained by modification of the surface energy of the polymer which encases liquid crystals via reaction of a dopant incorporated inside of the microdroplet during the droplet formation within the inside polymer layer. The liquid crystal used in RMLC is of negative dielectric anisotropy.
Control of <i>in vivo</i> microvessel ingrowth by modulation of biomaterial local architecture and chemistry (2002)

We developed a method for controlling local architecture and chemistry simultaneously in biomaterial implants to control microvessel ingrowth in vivo. Porous polypropylene disks (5 mm in diameter and 40 microm thick) were plasma-coated with a fluoropolymer and then laser-drilled with 50-microm-diameter holes through their thickness. We then oxidized the disks to create hydroxyl functionality on the exposed polypropylene (inside the holes). Acrylamide was grafted to the hydroxyl groups through polymerization in the presence of activating ceric ions. Staining with toluidine blue O demonstrated that grafting occurred only inside the holes. We used the Hoffman degradation reaction to convert the amide groups of acrylamide to amine groups, and then we used ethylene glycol diglycidyl ether to attach biomolecules of interest inside the holes: secreted protein acidic and rich in cysteine (SPARC) peptide Lys-Gly-His-Lys (KGHK; angiogenic), thrombospondin-2 (TSP; antiangiogenic), or albumin (rat; neutral). In vivo testing in a rat subcutaneous dorsum model for a 3-week interval demonstrated a greater vessel surface area (p = 0.032) and a greater number of vessels (p = 0.043) in tissue local to the holes with KGHK-immobilized disks than with TSP-immobilized disks. However, differences between KGHK-immobilized and albumin-immobilized disks were less significant (p = 0.120 and p = 0.289 for the vessel surface area and number of vessels, respectively). The developed methods have potential applications in biomaterial design applications for which selective neovascularization is desired.
Characterization of the frameshift signal of Edr, a mammalian example of programmed -1 ribosomal frameshifting (2005)

The ribosomal frameshifting signal of the mouse embryonal carcinoma differentiation regulated (Edr) gene represents the sole documented example of programmed -1 frameshifting in mammalian cellular genes [Shigemoto,K., Brennan,J., Walls,E,. Watson,C.J., Stott,D., Rigby,P.W. and Reith,A.D. (2001), Nucleic Acids Res., 29, 4079-4088]. Here, we have employed site-directed mutagenesis and RNA structure probing to characterize the Edr signal. We began by confirming the functionality and magnitude of the signal and the role of a GGGAAAC motif as the slippery sequence. Subsequently, we derived a model of the Edr stimulatory RNA and assessed its similarity to those stimulatory RNAs found at viral frameshift sites. We found that the structure is an RNA pseudoknot possessing features typical of retroviral frameshifter pseudoknots. From these experiments, we conclude that the Edr signal and by inference, the human orthologue PEG10, do not represent a novel 'cellular class' of programmed -1 ribosomal frameshift signal, but rather are similar to viral examples, albeit with some interesting features. The similarity to viral frameshift signals may complicate the design of antiviral therapies that target the frameshift process.
Identification of protein associations in organelles, using mass spectrometry‐based proteomics (2004)

Recent literature that highlights the power of using mass spectrometry (MS) for protein identification from preparations of highly purified organelles and other large subcellular structures is covered in this review with an emphasis on techniques that preserve the integrity of the functional protein complexes. Recent advances in distinguishing contaminant proteins from "bonafide" organelle-localized proteins and the affinity capture of protein complexes are reviewed, as well as bioinformatic strategies to predict protein organellar localization and to integrate protein-protein interaction maps obtained from MS-affinity capture methods with data obtained from other techniques. Those developments demonstrate that a revolution in cellular biology, fueled by technical advances in MS-based proteomic techniques, is well underway.
Learning Tasks of Pediatric Providers from Electronic Health Record Audit Logs. (2020)

The amount of time spent working in the Electronic Health Record (EHR) has become a burden for many providers. We propose computational methods to learn EHR tasks of Pediatrics residents and attending physicians in the treatment of healthy newborns by analyzing EHR audit log data. We perform statistical analyses of the association between EHR events and provider role, leverage word embedding, k-means, and ProM process mining software on audit log data to learn EHR tasks and visualize them. Residents more commonly perform note preparation and result viewing relative to attendings. Attendings perform more communication and chart review. Task workflows analysis resulted in 2 tasks for attendings and 3 tasks for residents. The attending tasks focus on chart review patient report and history, and inbox service. Primary themes for residents are admit/discharge with order creation, note review, and result review.
LOCKING OF He–Ne LASER MODES INDUCED BY SYNCHRONOUS INTRACAVITY MODULATION (1964)

First Page
CsgA Production by Escherichia coli O157:H7 Alters Attachment to Abiotic Surfaces in Some Growth Environments (2011)

The role of curli expression in attachment of Escherichia coli O157:H7 to glass, Teflon, and stainless steel (SS) was investigated through the creation of csgA knockout mutants in two isolates of E. coli O157:H7. Attachment assays using epifluorescence microscopy and measurements of the force of adhesion of bacterial cells to the substrates using atomic force microscopy (AFM) force mapping were used to determine differences in attachment between wild-type (wt) and csgA-negative (ΔcsgA) strains following growth in four different media. The hydrophobicity of the cells was determined using contact angle measurements (CAM) and bacterial adhesion to hydrocarbons (BATH). The attachment assay results indicated that ΔcsgA strains attached to glass, Teflon, and SS surfaces in significantly different numbers than their wt counterparts in a growth medium-dependent fashion (P < 0.05). However, no clear correlation was seen between attachment numbers, surface type, or growth medium. No correlation was seen between BATH and CAM results (R(2) < 0.70). Hydrophobicity differed between the wt and ΔcsgA in some cases in a growth medium- and method-dependent fashion (P < 0.05). AFM force mapping revealed no significant difference in the forces of adhesion to glass and SS surfaces between wt and ΔcsgA strains (P > 0.05) but a significantly greater force of adhesion to Teflon for one of the two wt strains than for its ΔcsgA counterpart (P < 0.05). This study shows that CsgA production by E. coli O157:H7 may alter attachment behavior in some environments; however, further investigation is required in order to determine the exact relationship between CsgA production and attachment to abiotic surfaces.
SIRT6 deacetylase transcriptionally regulates glucose metabolism in heart (2018)

Sirtuins are a family of enzymes, which govern a number of cellular processes essential for maintaining physiological balance. SIRT6, a nuclear sirtuin, is implicated in the development of metabolic disorders. The role of SIRT6 in regulation of cardiac metabolism is unexplored. Although glucose is not the primary energy source of heart, defects in glucose oxidation have been linked to heart failure. SIRT6<sup>+/-</sup> mice hearts exhibit increased inhibitory phosphorylation of PDH subunit E1α. SIRT6 deficiency enhances FoxO1 nuclear localization that results in increased expression of PDK4. We show that SIRT6 transcriptionally regulates the expression of PDK4 by binding to its promoter. SIRT6<sup>+/-</sup> hearts show accumulation of lactate, indicating compromised mitochondrial oxidation. SIRT6 deficiency results in decreased oxygen consumption rate and concomitantly lesser ATP production. Mechanistically, SIRT6 deficiency leads to increased FoxO1-mediated transcription of PDK4. Our findings establish a novel link between SIRT6 and cardiac metabolism, suggesting a protective role of SIRT6 in maintaining cardiac homeostasis.
Microcalorimetric and Infrared Spectroscopic Studies of CO, C2H4, N2O, and O2 Adsorption on Cu-Y Zeolite (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMicrocalorimetric and Infrared Spectroscopic Studies of CO, C2H4, N2O, and O2 Adsorption on Cu-Y ZeoliteG. D. Borgard, S. Molvik, P. Balaraman, T. W. Root, and J. A. DumesicCite this: Langmuir 1995, 11, 6, 2065–2070Publication Date (Print):June 1, 1995Publication History Published online1 May 2002Published inissue 1 June 1995https://pubs.acs.org/doi/10.1021/la00006a037https://doi.org/10.1021/la00006a037research-articleACS PublicationsRequest reuse permissionsArticle Views484Altmetric-Citations49LEARN 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
Immuninsuffizienzen und aktuelle Versuche der Immuntherapie (1987)

Wir stehen am Anfang einer klinischen Bewertung neuer immunologischer Arzneimittel. Die theoretischen Voraussetzungen, die technische Machbarkeit und die bisherigen Ergebnisse präklinischer Untersuchungen lassen jedoch erwarten, daß wir vor der Einführung neuer immunologischer Medikamente stehen. Im folgenden soll aufgezeigt werden, welche Immundefizienzen wir kennen, wie sie bisher behandelt werden, welche neuen Therapieansätze es gibt und schließlich welche Ergebnisse aus ersten klinischen Versuchen vorliegen.
The Ech Hydrogenase is Important for Growth of D vulgaris with Hydrogen (2007)

One objective of the Virtual Institute for Microbial Stress and Survival (VIMSS) and the Environmental Stress Pathway Project (ESPP) is to determine the genetic and physiological basis for cooperative and competitive interactions among environmental microbial populations of relevance to the DOE. The ESPP Applied Environmental Core (AEC) and Functional Genomics Core (FGC) have identified a number of genes that may participate in cooperative interactions between sulfate reducers and methanogens under low sulfate conditions. Specifically, the gram-negative Deltaproteobacterium D. vulgaris is able to grow in the absence of an electron acceptor via syntrophic growth with hydrogenotrophic organisms. Despite decades of research, energy conservation in D. vulgaris is not well understood. The presence of multiple hydrogenases, including those located in the periplasm in all studied Desulfovibrio strains - and the observation that hydrogen is produced and then consumed during growth of D. vulgaris Miyazaki with lactate and sulfate (Tsuji &Yagi, 1980) - lead to the formulation of the hydrogen cycling hypothesis as a mechanism for energy conservation (Odom & Peck, 1981). The availability of a completed genome sequence of D. vulgaris Hildenborough has since revealed genes for at least six different hydrogenases: four periplasmic and two cytoplasmic. Although several have been partially characterized biochemically and genetically, their roles in D. vulgaris under different growth conditions is not well understood. We examined the growth and metabolite production of an echA (DVU0434) D vulgaris Hidenborough mutant under three different growth conditions: i) in medium amended with lactate and sulfate and ii) in medium amended with acetate, hydrogen and sulfate, and iii) in coculture the hydrogenotrophic methanogen M. maripaludis, lacking an electron acceptor. On lactate, the mutant demonstrated a comparable growth rate and yield to the wild type strain, but evolved more hydrogen as measured by its accumulation in the headspace during growth in batch culture. In a medium containing 5 mM acetate and an atmosphere of H2/CO2 (80:20), growth of the mutant was severely impaired relative to the wild type. A coculture consisting of the mutant strain and a hydrogenotrophic methanogen (M. maripaludis) demonstrated only slightly reduced growth rate and biomass relative to the wild type. Although this suggested some role in energy conservation, the more obvious phenotype was its greatly limited growth in monoculture with acetate, hydrogen and sulfate. Thus, the available data suggest that the primary role of the Ech Hydrogenase is oxidation of hydrogen during sulfate respiration, possibly also contributing to the production of reduced ferredoxin required for conversion of Acetyl CoA to pyruvate by pyruvate oxidoreductase, as was previously demonstrated for the homologous hydrogenases in M. barkeri and M. maripaludis (Meuer et al., 2002; Porat et al., 2006).