gebhart/patrepeval huggingface dataset:
Corrigendum: Primary and Secondary Aminophosphines as Novel P‐Stereogenic Building Blocks for Ligand Synthesis (2011)

In this Communication, the enantiomeric excess reported for the hydrogenation of N-(3,4-dihydronaphthalen-2-yl)acetamide was incorrect. An unnoticed impurity contained in the racemic sample led to the use of an inappropriate HPLC method for the determination of the optical purity. Reanalyzing the sample with a correct HPLC method (Chiralcel OD-H, hexanes/isopropyl alcohol (95:5), 1.0 mL min−1, 210 nm, t(−)=23.5 min, t(+)=27.5 min)1 showed that the reduction product was obtained in only 9 % ee. The authors apologize for this error.
Supplementary Table 3 from Paxillin Is a Target for Somatic Mutations in Lung Cancer: Implications for Cell Growth and Invasion (2023)

Supplementary Table 3 from Paxillin Is a Target for Somatic Mutations in Lung Cancer: Implications for Cell Growth and Invasion
Draco (2014)

Draco is a sketch-based interface that allows artists and casual users alike to add a rich set of animation effects to their drawings, seemingly bringing illustrations to life. While previous systems have introduced sketch-based animations for individual objects, our contribution is a unified framework of motion controls that allows users to seamlessly add coordinated motions to object collections. We propose a framework built around kinetic textures, which provide continuous animation effects while preserving the unique timeless nature of still illustrations. This enables many dynamic effects difficult or not possible with previous sketch-based tools, such as a school of fish swimming, tree leaves blowing in the wind, or water rippling in a pond.
On the statistics of magnetotelluric rotational invariants (2013)

The statistical properties of the Swift skew, the phase-sensitive skew and the WAL invariants I1−I7 and Q are examined through analytic derivation of their probability density functions and/or simulation based on a Gaussian model for the magnetotelluric response tensor. The WAL invariants I1−I2 are shown to be distributed as a folded Gaussian, and are statistically well behaved in the sense that all of their moments are defined. The probability density functions for Swift skew, phase-sensitive skew and the WAL invariants I3−I4, I7 and Q are derived analytically or by simulation, and are shown to have no moments of order 2 or more. Since their support is semi-infinite or infinite, they cannot be represented trigonometrically, and hence are inconsistent with a Mohr circle interpretation. By contrast, the WAL invariants I5−I6 are supported on [ − 1, 1], and are inferred to have a beta distribution based on analysis and simulation. Estimation of rotational invariants from data is described using two approaches: as the ratio of magnetotelluric responses that are themselves averages, and as averages of section-by-section estimates of the invariant. Confidence intervals on the former utilize either Fieller's theorem, which is preferred because it is capable of yielding semi-infinite or infinite confidence intervals, or the less accurate delta method. Because section-by-section averages of most of the rotational invariants are drawn from distributions with infinite variance, the classical central limit theorem does not pertain. Instead, their averaging is accomplished using the median in place of the mean for location and an order statistic model to bound the confidence interval of the median. An example using real data demonstrates that the ratio of averages approach has serious systematic bias issues that render the result physically inconsistent, while the average of ratios result is a smooth, physically interpretable function of period, and is the preferred approach.
E7107, a new 7-urethane derivative of pladienolide D: Discovery of a novel antitumor agent (2004)

Proc Amer Assoc Cancer Res, Volume 45, 2004

2988 

Pladienolides, novel 12-membered macrolides possessing an inhibitory activity of hypoxia-induced vascular endothelial growth factor (VEGF) expression, were isolated from Streptomyces platensis Mer-11107. Some of the pladienolides have been shown to have a strong inhibitory growth activity in various cancer cell lines at nanomolar concentrations and a good in vivo antitumor activity against human tumor xenografts. Further, these macrolides appear to have a different mechanism of action from those of pre-existing anticancer agents in clinical use according to the COMPARE analysis data. In order to enhance the potency of the naturally occurring pladienolides, synthetic derivatives were prepared and evaluated. We describe herein the synthetic approach for the derivatization of pladienolide D that led us to the discovery of E7107, which has a wide tumor spectrum, a high regression rate, and a wide therapeutic window. One of our synthetic approaches was the replacement of the acetoxy group in position-7 with a urethane moiety. Urethane derivatives were synthesized from pladienolide D in 7 steps employing commonly used and simple organic reactions. The replacement of the acetoxy group with a simple urethane moiety decreased the in vitro antiproliferative activity. However, by introducing an amino function onto the urethane moiety, the activity was regained. Many of the derivatives in this series showed a strong in vitro activity as potent as pladienolide D. A correlation between the lipophilicity of these derivatives and their in vitro activity was observed. Detailed data will be presented at the meeting. In the human colon WiDr xenograft model, several of the urethane derivatives showed more potent in vivo tumor regression activity than that of pladienolide D. Among these derivatives, E7107 was found to have an impressive tumor regression activity against WiDr xenograft with a wide dose range. These results suggest that E7107 might be a promising therapeutic agent for the treatment of cancer.
The Macroscopic Delineation of the Edge of the Glenoid Labrum: An Anatomic Evaluation of an Open and Arthroscopic Visual Reference (2009)

Our findings provide anatomic data that enhances the arthroscopist's ability to anatomically reconstruct the glenoid labrum.
Synergistic Action of Genistein and Cisplatin on Growth Inhibition and Cytotoxicity of Human Medulloblastoma Cells (2000)

These results indicate that genistein at typical dietary plasma levels can significantly enhance the antiproliferative and cytotoxic action of cisplatin and, to a lesser extent, vincristine. The implication for treatment of medulloblastomas of early childhood may be a reduction in the chemotherapeutic dose recommendations of these agents and subsequently a decrease in the risk of treatment sequelae for these patients.
Reactions and diffusion of atomic and molecular oxygen in theSiO2network (2005)

To address the reactions and diffusion of atomic and molecular oxygen in $\mathrm{Si}{\mathrm{O}}_{2}$, the modification of the $\mathrm{Si}{\mathrm{O}}_{2}$ network on exposure to an atomic or molecular oxygen atmosphere is investigated by measuring the x-ray-diffraction profile of the residual order peak emanating from the oxide. Analyses of the peak intensity and its fringe pattern provide experimental evidence for the recent theoretical predictions, indicating that atomic oxygen is incorporated into the $\mathrm{Si}{\mathrm{O}}_{2}$ network near the surface and diffuses toward the interface along with modifying it even at a low temperature of $400\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$, whereas molecular oxygen diffuses without reacting with the bulk $\mathrm{Si}{\mathrm{O}}_{2}$ even at a temperature of $850\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$ that is sufficiently high for oxidation reaction at the interface.
Application of PBG microstrip circuits for enhancing the performance of high‐density substrate patch antennas (2002)

Abstract We present EM simulation results of a high‐density substrate patch antenna integrated with a microstrip photonic bandgap (PBG) circuit. It is demonstrated that application of such a circuit in an active integrated antenna eliminates undesired high‐order frequency harmonics and patch radiation modes, and improves the return‐loss level at the fundamental‐mode frequency of the patch. Optimization of the PBG periodic element geometry provides harmonics filtering in a wide frequency band. The surface current density on the microstrip PBG circuit integrated antenna has been calculated in illustrating the mechanism of the high‐order radiation harmonics tuning. It is noted that making use of a high‐density dielectric substrate allows easy integration of antenna elements and MMIC circuitry for novel active integrated transmitter front ends. © 2002 John Wiley &amp; Sons, Inc. Microwave Opt Technol Lett 32: 340–344, 2002.
Chitosan-Coated PLGA Nanoparticles Loaded with Peganum harmala Alkaloids with Promising Antibacterial and Wound Healing Activities (2021)

Wound healing is a major healthcare concern, and complicated wounds may lead to severe outcomes such as septicemia and amputations. To date, management choices are limited, which warrants the search for new potent wound healing agents. Natural products loaded in poly (lactic-co-glycolic acid) (PLGA) coated with chitosan (CS) constitute a promising antibacterial wound healing formulation. In this work, harmala alkaloid-rich fraction (HARF) loaded into PLGA nanoparticles coated with chitosan (H/CS/PLGA NPs) were designed using the emulsion-solvent evaporation method. Optimization of the formulation variables (HARF: PLGA and CS: PLGA weight ratios, sonication time) was performed using the 3<sup>3</sup> Box-Behnken design (BBD). The optimal NPs were characterized using transmission electron microscopy (TEM) and Attenuated Total Reflection Fourier-Transformed Infrared Spectroscopy (ATR-FTIR). The prepared NPs had an average particle size of 202.27 ± 2.44 nm, a PDI of 0.23 ± 0.01, a zeta potential of 9.22 ± 0.94 mV, and an entrapment efficiency of 86.77 ± 4.18%. In vitro drug release experiments showed a biphasic pattern where an initial burst of 82.50 ± 0.20% took place in the first 2 h, which increased to 87.50 ± 0.50% over 72 h. The designed optimal H/CS/PLGA NPs exerted high antibacterial activity against <i>Staphylococcus aureus</i> and <i>Escherichia coli</i> (MIC of 0.125 and 0.06 mg/mL, respectively) compared to unloaded HARF (MIC of 0.50 mg/mL). The prepared nanoparticles were found to be biocompatible when tested on human skin fibroblasts. Moreover, the wound closure percentage after 24 h of applying H/CS/PLGA NPs was found to be 94.4 ± 8.0%, compared to free HARF and blank NPs (68.20 ± 5.10 and 50.50 ± 9.40%, respectively). In conclusion, the three components of the developed nanoformulation (PLGA, chitosan, and HARF) have synergistic antibacterial and wound healing properties for the management of infected wounds.
Szemantikus adatok lekérdezése federált és osztott rendszereken (2018)

The dissertation deals with issues of the semantic web. The semantic web is a concept where information is stored on the Internet and the information can be connected each other. This way we can create a huge knowledge base which is hard to use. The main problems are the size and structure of the knowledge base. The first research results show the client-server architecture model is usable to provide semantic data for devices with low on resources, such as mobile phones. In this chapter I presented three applications which were built on this architecture. The first one is an enterprise information system, the second one is an indoor navigation system and the third one is a semantic browser for mobile phones. The second part of the dissertation deals with the federated systems. The idea of the semantic web is that the information on the web can be connected. Federated queries provide a solution to query multiple endpoints in one query. Usually the Semantic Data is reachable over SPARQL Endpoints. The SPARQL is a query language of the semantic web. The important problem of federated systems is the endpoint selection. This part of the federated system choose endpoints for the triple patterns. First I formally described the operation of the federated systems with the ASM model. After that I presented an alternative solution for the endpoint selection. This technique uses the namespaces of the dataset for the endpoint selection. The next result is a triple pattern recommendation system based on the federated systems. This technique helps the user to write SPARQL queries easily. Finally I presented that recommended triple patterns store information about the endpoint and the idea uses these information for the endpoint selection. The third research results presents the connection between the semantic web and the Big Data. The first result of the chapter is an algorithm which can reduce the semantic graph to a size that we can handle with a graph viewer. The visualization helps us to get to know and understand the graph or to detect errors from the graph. The next result is an algorithm and a model that works on a distributed graph analytic tool. I used this tool to queries of a big semantic graph. This tool is the Spark GraphX, which is based on the message sending between the nodes. In that chapter I presented two solutions for evaluating SPARQL. Sparkql uses a linear evaluation strategy while P-Sparkql uses a parallel evaluation strategy.
The effects of age on CD4+ T cell TLR-2 expression and TLR-2 mediated direct co-stimulation (122.6) (2012)

Abstract Background: Functional Toll like receptors (TLR) are found on human T cells. Neonatal antigen presenting cells (APC) have altered responses to TLR ligands; it is unknown if neonatal CD4+ T cell TLR responses are comparable to adult. Objective: Comparison of TLR-2 expression and responsiveness to TLR-2 direct co-stimulation among total and naïve CD4+ T cell subsets from neonates and adults. Methods: T cell subsets (CD3+CD4+ or CD3+CD4+CD45RA+) were isolated from cord and adult peripheral blood mononuclear cells by flow sorting ( &amp;gt;99.5% purity) and cultured in an APC-free model with α-CD3 ± α -CD28 ± TLR-2 ligand Pam3CYS4. Quantitative PCR and ELISA determined TLR-2 expression and cytokine production. Results: Neonatal CD4+ T cells are predominately naïve (97.2% CD45RA+) but express 5-fold more TLR-2 mRNA than adult CD4+ T cells. Pam3CYS4 provides direct co-stimulation in the presence of α-CD3 to adult and neonatal total CD4+ T cells resulting in IL-2, TNF-α, and IFN-γ production; provision of additional co-stimulation (α-CD28) further enhances cytokine production. When comparing total CD4+ T cell populations, neonatal cells generate significantly less cytokines than adult. When naïve neonatal and adult T cells are compared, neonatal cells generate more cytokines in response to TLR-2 mediated co-stimulation. Conclusions: Naïve neonatal CD4+ T cells have enhanced TLR-2 expression and increased sensitivity to direct TLR-2 co-stimulation as compared to naïve adult cells.
Changes in neurovascular coupling with cerebral perfusion pressure indicate a link to cerebral autoregulation (2022)

Cerebral autoregulation ensures a stable average blood supply to brain tissue across steady state cerebral perfusion pressure (CPP) levels. Neurovascular coupling, in turn, relies on sufficient blood flow to meet neuronal demands during activation. These mechanisms break down in pathologies where extreme levels of CPP can cause dysregulation in cerebral blood flow. Here, we experimentally tested the influence of changes in CPP on neurovascular coupling in a hydrocephalus-type non-human primate model (n = 3). We recorded local neural and vascular evoked responses to a checkerboard visual stimulus, non-invasively, using electroencephalography and near-infrared spectroscopy respectively. The evoked signals showed changes in various waveform features in the visual evoked potentials and the hemodynamic responses, with CPP. We further used these signals to fit for a hemodynamic response function (HRF) to describe neurovascular coupling. We estimated n = 26 distinct HRFs at a subset of CPP values ranging from 40-120 mmHg across all subjects. The HRFs, when compared to a subject dependent healthy baseline (CPP 70-90 mmHg) HRF, showed significant changes in shape with increasing CPP (ρ<sub>CPP</sub> = -0.55, p-value<sub>CPP</sub> = 0.0049). Our study provides preliminary experimental evidence on the relationship between neurovascular coupling and CPP changes, especially when beyond the limits of static autoregulation.
Water Distribution System 31: Any-town System (2016)

The system description is available from the article, Battle of the network models: Epilogue, published in the Journal of Water Resources Planning and Management.
Thermal loss of high-Q antennas in Time Domain vs. Frequency Domain Solver (2014)

High-Q structures pose great challenges to their loss simulations in Time Domain Solvers (TDS). Therefore, in this work the thermal loss of high-Q antennas is calculated both in TDS and Frequency Domain Solver (FDS), which are then compared with each other and with the actual measurements. The thermal loss calculation in FDS is shown to be more accurate for high-Q antennas.
Isotope driven critical scattering and phase separation in mixtures of deuterated and protonated polymers (1989)

Four separate isotopic polymer mixtures have been examined by SANS: deuterated and protonated atactic polystyrenes, 1,4-polybutadienes, polyvinylethylenes (also referred to as 1,2-polybutadienes), and polyethylethylenes (also known as 1,2-polybutenes). With the exception of the polystyrenes, all polymers were characterized for number average degree of polymerization N{sub N} and polydispersity N{sub W}/N{sub N} by membrane osmometry and high pressure size exclusion chromatography (HPSEC), respectively. SANS data were collected on the 30-m instrument at the National Center for Small- Angle Scattering Research located at Oak Ridge National Laboratory. 29 refs., 4 figs., 1 tab.
Establishment of a near‐standard two‐dimensional human urine proteomic map (2004)

A proteomic map for human urine on two-dimensional (2-D) gels has been developed. Initial studies demonstrated that the urine proteins prepared by conventional methods showed interference and poor reproducibility in 2-D electrophoresis (2-DE). To address this issue, urine samples were dialyzed to remove any interfering molecules. The dialysis of urine proteins and the concentration by lyophilization without fractionation significantly improved the reproducibility and resolution and likely represents the total urine proteins on a 2-D gel. In addition, removing albumin from urine using Affi-Gel Blue helped to identify the low-abundant proteins. Using the developed method, we prepared proteins from urine collected from healthy females and males. The large inter- and intra-subject variation in protein profiles on 2-D gels made it difficult to establish a normal human urine proteomic 2-D map. To resolve this problem, urinary proteins were prepared from the pooled urine collected from 20 healthy females and males, respectively. The established male and female urine proteomes separated on 2-D gels were almost identical except for some potential sex-dependent protein spots. We have annotated 113 different proteins on the 2-D gel by peptide mass fingerprinting (PMF). We propose that the established total urine proteome can be used for 2-DE analysis, liquid chromatography-tandem mass spectrometry (LC-MS/MS), and identification of novel disease-specific biomarkers.
Achieving Guaranteed Anonymity in GPS Traces via Uncertainty-Aware Path Cloaking (2010)

The integration of Global Positioning System (GPS) receivers and sensors into mobile devices has enabled collaborative sensing applications, which monitor the dynamics of environments through opportunistic collection of data from many users' devices. One example that motivates this paper is a probe-vehicle-based automotive traffic monitoring system, which estimates traffic congestion from GPS velocity measurements reported from many drivers. This paper considers the problem of achieving guaranteed anonymity in a locational data set that includes location traces from many users, while maintaining high data accuracy. We consider two methods to reidentify anonymous location traces, target tracking, and home identification, and observe that known privacy algorithms cannot achieve high application accuracy requirements or fail to provide privacy guarantees for drivers in low-density areas. To overcome these challenges, we derive a novel time-to-confusion criterion to characterize privacy in a locational data set and propose a disclosure control algorithm (called uncertainty-aware path cloaking algorithm) that selectively reveals GPS samples to limit the maximum time-to-confusion for all vehicles. Through trace-driven simulations using real GPS traces from 312 vehicles, we demonstrate that this algorithm effectively limits tracking risks, in particular, by eliminating tracking outliers. It also achieves significant data accuracy improvements compared to known algorithms. We then present two enhancements to the algorithm. First, it also addresses the home identification risk by reducing location information revealed at the start and end of trips. Second, it also considers heading information reported by users in the tracking model. This version can thus protect users who are moving in dense areas but in a different direction from the majority.
Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane (2015)

Synthetic details for 4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.5.2]pentadecane, the dimethyl ethylene cross-bridged homocyclen ligand are presented for the first time. Its novel Mn(2+), Fe(2+), Mn(3+), and Fe(3+) complexes have been synthesized and characterized. X-ray crystal structures were obtained for both manganese complexes, along with five additional Co(3+), Cu(2+), and Zn(2+) structures, the first structural characterization of complexes of this ligand. Each complex has the cis-V configuration of the cross-bridged macrocycle ring, leaving cis labile binding sites for interaction of the complex with oxidants and/or substrates. The copper(II) complex kinetic stability in 5 M HCl and at elevated temperatures was determined and compared to related complexes in the literature. The electronic properties of the manganese and iron complexes were evaluated using solid state magnetic moment determination and acetonitrile solution electronic spectroscopy, revealing high spin metal complexes in all cases. Cyclic voltammetry in acetonitrile of the divalent iron and manganese complexes revealed reversible redox processes, suggesting catalytic reactivity involving electron transfer processes are possible for both complexes. Screening of the Mn(2+) and Fe(2+) complexes for oxidation catalysis using hydrogen peroxide as the terminal oxidant showed both complexes are worthy of continued development.
NMR Investigations of the Solution Conformations of Deoxynucleotidyl (3′-5′) Arabinonucleosides (1986)

Abstract The solution conformations of all eight deoxynucleotidyl (3′-5′) arabinonucleosides containing 9-B-D-arabinofuranosyladenine and 1-B-D-arabinonfuranosylcytosine have been analyzed by NMR methods and compared to dinucleoside monophosphates containing the corresponding deoxyriboside units.