gebhart/patrepeval huggingface dataset:
Novel Elastomers Prepared by Grafting n-Butyl Acrylate from Polyethylene Macroinitiator Copolymers (2009)

A series of polyethylene-based macroinitiators bearing atom transfer radical polymerization (ATRP) initiator functionalities were prepared by copolymerizing norbornen-2-yl-2-bromo-2-methylpropanoate (3) with ethylene using N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenyl-imino)isobutanamidato]-Ni(η1CH2Ph) (PMe3) (1) and bis(1,5-cyclooctadiene)nickel (2). The content of 3 was increased from 2 to 16 mol %, and the mechanical properties of the resulting macroinitiators were investigated using monotonic and step cyclic stress−strain tests. With increasing 3 content, the product transitioned from plastically deforming PE to elastomeric PE (at 10 mol % 3) to a brittle polynorbornene-like material. Upon grafting with n-butyl acrylate (nBA) using ATRP, the new materials became significantly softer and more elastomeric in comparison to their parent macroinitiators. Increasing nBA content did not break up the PE crystallites, but instead diluted the overall crystallinity and decreased the glass transition temperature of the products. The highest performing acrylate-containing polyolefin elastomer exhibited an elongation at break of 780% strain and a recovery of 83% at 400% strain.
Solution structure of χ‐conopeptide MrIA, a modulator of the human norepinephrine transporter (2005)

The chi-conopeptides MrIA and MrIB are 13-residue peptides with two disulfide bonds that inhibit human and rat norepinephrine transporter systems and are of significant interest for the design of novel drugs involved in pain treatment. In the current study we have determined the solution structure of MrIA using NMR spectroscopy. The major element of secondary structure is a beta-hairpin with the two strands connected by an inverse gamma-turn. The residues primarily involved in activity have previously been shown to be located in the turn region (Sharpe, I. A.; Palant, E.; Schroder, C. I.; Kaye, D. M.; Adams, D. J.; Alewood, P. F.; Lewis, R. J. J Biol Chem 2003, 278, 40317-40323), which appears to be more flexible than the beta-strands based on disorder in the ensemble of calculated structures. Analogues of MrIA with N-terminal truncations indicate that the N-terminal residues play a role in defining a stable conformation and the native disulfide connectivity. In particular, noncovalent interactions between Val3 and Hyp12 are likely to be involved in maintaining a stable conformation. The N-terminus also affects activity, as a single N-terminal deletion introduced additional pharmacology at rat vas deferens, while deleting the first two amino acids reduced chi-conopeptide potency.
Novel materials (2016)

Proceedings of the National Academy of Sciences (PNAS), a peer reviewed journal of the National Academy of Sciences (NAS) - an authoritative source of high-impact, original research that broadly spans the biological, physical, and social sciences.
Discovery of Potent and Selective Dipeptidyl Peptidase IV Inhibitors Derived from β-Aminoamides Bearing Subsituted Triazolopiperazines (2008)

A series of beta-aminoamides bearing triazolopiperazines have been discovered as potent, selective, and orally active dipeptidyl peptidase IV (DPP-4) inhibitors by extensive structure-activity relationship (SAR) studies around the triazolopiperazine moiety. Among these, compound 34b with excellent in vitro potency (IC50 = 4.3 nM) against DPP-4, high selectivity over other enzymes, and good pharmacokinetic profiles exhibited pronounced in vivo efficacy in an oral glucose tolerance test (OGTT) in lean mice. On the basis of these properties, compound 34b has been profiled in detail. Further refinement of the triazolopiperazines resulted in the discovery of a series of extremely potent compounds with subnanomolar activity against DPP-4 (42b- 49b), that is, 4-fluorobenzyl-substituted compound 46b, which is notable for its superior potency (IC50 = 0.18 nM). X-ray crystal structure determination of compounds 34b and 46b in complex with DPP-4 enzyme revealed that (R)-stereochemistry at the 8-position of triazolopiperazines is strongly preferred over (S) with respect to DPP-4 inhibition.
Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement (1996)

Monte Carlo simulations have been used to determine changes in free energies of solvation for the rearrangement of chorismate to prephenate in water and methanol. Structures and partial charges from the ab initio RHF/6-31G* calculations of Wiest and Houk were used for the pseudodiequatorial and pseudodiaxial conformers of chorismate and for the transition structure. Free energy perturbation calculations yielded the differences in free energies of solvation for the three structures. The calculations reproduce the observed 100-fold rate increase in water over methanol. The origin of the rate difference is traced solely to an enhanced population of the pseudodiaxial conformer in water, which arises largely from a unique water molecule acting as a double hydrogen bond donor to the C4 hydroxyl group and the side-chain carboxylate. A Monte Carlo simulation was also carried out for the transition structure bound to E. coli chorismate mutase in order to characterize the key interactions in the active site. Consistent with earlier computational results for the Claisen rearrangement of allyl vinyl ether and inferences from crystal structures, the Monte Carlo simulations reveal two hydrogen bonds to the enolic oxygen in the transition structure for both the uncatalyzed reaction in water and the enzyme-catalyzed rearrangement.
Thyroid hormone modulates hyperoxic neonatal lung injury and mitochondrial function (2023)

Mitochondrial dysfunction at birth predicts bronchopulmonary dysplasia (BPD) in extremely low-birth weight (ELBW) infants. Recently, nebulized thyroid hormone (TH), given as triiodothyronine (T3), was noted to decrease pulmonary fibrosis in adult animals through improved mitochondrial function. In this study, we tested the hypothesis that TH may have similar effects on hyperoxia-induced neonatal lung injury and mitochondrial dysfunction by testing whether i.n. T3 decreases neonatal hyperoxic lung injury in newborn mice; whether T3 improves mitochondrial function in lung homogenates, neonatal murine lung fibroblasts (NMLFs), and umbilical cord-derived mesenchymal stem cells (UC-MSCs) obtained from ELBW infants; and whether neonatal hypothyroxinemia is associated with BPD in ELBW infants. We found that inhaled T3 (given i.n.) attenuated hyperoxia-induced lung injury and mitochondrial dysfunction in newborn mice. T3 also reduced bioenergetic deficits in UC-MSCs obtained from both infants with no or mild BPD and those with moderate to severe BPD. T3 also increased the content of peroxisome proliferator-activated receptor γ coactivator 1α in lung homogenates of mice exposed to hyperoxia as well as mitochondrial potential in both NMLFs and UC-MSCs. ELBW infants who died or developed moderate to severe BPD had lower total T4 (TT4) compared with survivors with no or mild BPD. In conclusion, TH signaling and function may play a critical role in neonatal lung injury, and inhaled T3 supplementation may be useful as a therapeutic strategy for BPD.
Tribological Properties of Sulphur-Free Antiwear Additives Zinc Dialkylphosphates (ZDPs) (2011)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;The film-forming, friction, and antiwear properties of zinc dialkylphosphates (ZDPs) were investigated and compared with the corresponding zinc dialkyldithiophosphates (ZDDPs). The primary ZDPs generally show similar friction and antiwear performance to the primary ZDDPs, although some differences are seen between them in film-forming properties. For the secondary ZDP and ZDDP, there are some clear differences in their tribological properties. This indicates that the properties of the primary ZDPs and ZDDPs may be controlled predominantly by adsorbed films consisting the intact additives and/or their decomposition compounds, and that the properties of the secondary ones may be controlled by glassy reaction films consisting zinc/iron polyphosphates.&lt;/div&gt;&lt;/div&gt;
De Novo Assembly and Phasing of Dikaryotic Genomes from Two Isolates of Puccinia coronata f. sp. avenae , the Causal Agent of Oat Crown Rust (2018)

Oat crown rust, caused by the fungus <i>Pucinnia coronata</i> f. sp. <i>avenae</i>, is a devastating disease that impacts worldwide oat production. For much of its life cycle, <i>P. coronata</i> f. sp. <i>avenae</i> is dikaryotic, with two separate haploid nuclei that may vary in virulence genotype, highlighting the importance of understanding haplotype diversity in this species. We generated highly contiguous <i>de novo</i> genome assemblies of two <i>P. coronata</i> f. sp. <i>avenae</i> isolates, 12SD80 and 12NC29, from long-read sequences. In total, we assembled 603 primary contigs for 12SD80, for a total assembly length of 99.16 Mbp, and 777 primary contigs for 12NC29, for a total length of 105.25 Mbp; approximately 52% of each genome was assembled into alternate haplotypes. This revealed structural variation between haplotypes in each isolate equivalent to more than 2% of the genome size, in addition to about 260,000 and 380,000 heterozygous single-nucleotide polymorphisms in 12SD80 and 12NC29, respectively. Transcript-based annotation identified 26,796 and 28,801 coding sequences for isolates 12SD80 and 12NC29, respectively, including about 7,000 allele pairs in haplotype-phased regions. Furthermore, expression profiling revealed clusters of coexpressed secreted effector candidates, and the majority of orthologous effectors between isolates showed conservation of expression patterns. However, a small subset of orthologs showed divergence in expression, which may contribute to differences in virulence between 12SD80 and 12NC29. This study provides the first haplotype-phased reference genome for a dikaryotic rust fungus as a foundation for future studies into virulence mechanisms in <i>P. coronata</i> f. sp. <i>avenae</i><b>IMPORTANCE</b> Disease management strategies for oat crown rust are challenged by the rapid evolution of <i>Puccinia coronata</i> f. sp. <i>avenae</i>, which renders resistance genes in oat varieties ineffective. Despite the economic importance of understanding <i>P. coronata</i> f. sp. <i>avenae</i>, resources to study the molecular mechanisms underpinning pathogenicity and the emergence of new virulence traits are lacking. Such limitations are partly due to the obligate biotrophic lifestyle of <i>P. coronata</i> f. sp. <i>avenae</i> as well as the dikaryotic nature of the genome, features that are also shared with other important rust pathogens. This study reports the first release of a haplotype-phased genome assembly for a dikaryotic fungal species and demonstrates the amenability of using emerging technologies to investigate genetic diversity in populations of <i>P. coronata</i> f. sp. <i>avenae</i>.
Supplementary Figure Legends from Androgen Receptor Upregulation Mediates Radioresistance after Ionizing Radiation (2023)

&lt;p&gt;Supplementary Figure legends for Supplementary Figure 1 and 2&lt;/p&gt;
Automatic Differentiation for All Photons Imaging to See Inside Volumetric Scattering Media (2020)

Imaging through dense scattering media - such as biological tissue, fog, and smoke - has applications in the medical and robotics fields. We propose a new framework using automatic differentiation for All Photons Imaging through homogeneous scattering media with unknown optical properties for non-invasive sensing and diagnostics. We overcome the need for the imaging target to be visible to the illumination source in All Photons Imaging, enabling practical and non-invasive imaging through turbid media with a simple optical setup. Our method does not require calibration to acquire the sensor position or optical properties of the media.
Universal Properties of Semi-Dilute Polymer Solutions: A Comparison between Experiments and Theory (1986)

Recent experiments suggest a universality of constants appearing as amplitudes in the scaling laws for the correlation length and the radius of gyration in the semi-dilute regime of polymer solutions in good solvents. We discuss how these amplitudes can be estimated from the direct renormalization theory of polymer solutions. The obtained values are in good agreement with recent experimental measurements.
Bit vs. symbol interleaving for parallel concatenated trellis coded modulation (2002)

This paper compares bit versus symbol interleaving for parallel-concatenated trellis-coded turbo codes, employing the turbo encoder structure proposed in Benedetto et al., (1996). To compare systems optimized with the same techniques, the paper extends the turbo-encoder design procedure proposed in Fragouli et al. (2001), to bit-interleaved systems. We discuss a method to jointly design the multiple required interleavers for the bit-interleaved system, and a procedure to select constituent encoders that can take advantage of the interleaver structure to achieve a low error floor. Simulation results for the designed bit-interleaved system show better performance than bit-interleaved performance reported in the literature. The symbol-interleaved system though achieves an earlier convergence, especially with an increased number of decoder iterations, but at the cost of a slightly higher error floor.
Communication-oriented computer architecture: data choreography (1997)

Summary form only given. The full paper presents a number of approaches to choreographing regular and irregular computations, and shows how a number of model applications can be choreographed. The paper will also compare SMA architectures to UMA and NUMA architectures.
ChemInform Abstract: Alkane Dehydrogenation (2013)

Abstract Review: 81 refs.
Bipendensin, an Unusual Phenolic Acetal fromAfzelia bipendensis1 (1993)

Abstract Bipendensin (1), an unusual phenolic acetal, has been isolated from the sapwood of Afzelia bipendensis.
Optical Engineering of the OMEGA EP System for Petawatt Operation (2008)

OMEGA EP (Extended Performance) is a petawatt-class addition to the existing 30-kJ, 60-beam OMEGA Laser Facility at the University of Rochester. The optical engineering involved in subsystems of the OMEGA EP Laser will be described.
ChemInform Abstract: Multinuclear Cobalt(II)‐Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry. (2014)

Abstract Tetrameric Co 16 ‐containing heteropolytungstates Na 32 [{Co 4 (OH) 3 PO 4 } 4 (A‐α‐SiW 9 O 34 ) 4 ] ·78H 2 O (I) and Na 30.5 K 1.5 [{Co 4 (OH) 3 PO 4 } 4 (A‐α‐GeW 9 O 34 ) 4 ] ·116H 2 O (II) are prepared in 17% and 19% yield, resp., by reaction of trilacunary Keggin polyanions [A‐α‐XW 9 O 34 ] 10‐ (X: Si IV , Ge IV ) with CoCl 2 and Na 3 PO 4 in aqueous basic media under mild heating.
Analyzing and Optimizing Video Quality in the New H.265 (HEVC) Standard (2013)

The emerging H.265 High Efficiency Video Coding (HEVC) standard for video compression is geared towards providing high quality / high resolution video at low to moderate bit rates; thus providing a significant increase in compression efficiency over existing standards like H.262/263/264. As is typically the case, increased compression results in decreased coding redundancy. Hence from a video quality perspective, of interest would be the nature of potential coding artifacts as well as the profile of video failures or dropouts arising due to uncorrected coding errors. In the latter case, the occurrence of these uncorrectable errors would depend upon external factors like the channel SNR or Eb/No profile, coupled with the source coding efficiency (or redundancy); the latter being governed by the opposing constraints of picture quality versus allowable bit rate or channel bandwidth. — The initial portion of this work is focused on dropout profiles due to randomly occurring bitstream errors. The geometries of the manifested dropout regions are quite noticeable as compared to those observed in traditional slice based video syntax for the same content, under a similar random error profile. This uniqueness impacts the spatial dropout detection algorithms to be used. — In the latter part of this work, video quality for a variety of content applications (like sports, news/talk shows, animation, etc…) and under varying encoder parameter profiles is monitored. The goal is to optimize the HEVC encoding parameters such as Transform Unit size, Coding Unit size and Maximum Partition Depth for video quality, for each chosen content application.
Novel Sample Pretreatment to Determine Iron Counts in Sour Glycol Streams by Spectrophotometer (2021)

Abstract Determination of Iron Content in Triethylene glycol (TEG) samples is a very important indicator in measuring the system corrosion rate in oil and gas facilities. This study employed the application of an alternative/easy and reliable test method, which involved the use of a spectrophotometer for quantification of Iron concentration in tri ethylene glycol samples, that are used in sour gas dehydration units, rather than the sophisticated technique of Inductively Coupled Plasma Optical Emission Spectroscopy, ICP-OES. The main challenge was how to eliminate/minimize the significant interference from the carryover condensate hydrocarbons, BTEX, H2S and amine additives, which cause either precipitation with spectrophotometer reagents or turbid samples. The sample pretreatment process included: 1 - Sample digestion with dilution to eliminate the dissolved acid gases and the dissolved BTEX from the sample in acidic medium; 2 - pH adjustment from 9 – 10.5 to eliminate the amine additives interference with spectrophotometer reagents and 3 – Application of standard addition technique with certified reference material for iron with dilution, to reach the spectrophotometer detection limit and give intense color with more UV absorbance. The method was validated against ICP-OES and the results variance were within 10% acceptance criteria.
Probing Triplet State Properties of Organic Chromophores via Design and Synthesis of Os(II)-Diketonate Complexes:  The Triplet State Intramolecular Charge Transfer (2004)

We report the probe of specific triplet state properties of organic chromophores that are otherwise inaccessible in low viscous solution. The prototypical example demonstrated here is [Os(CO)3(Cl)(NDP)] (1) ((NDP)H = 2-naphthyl-7-dimethylanilino-1,3-propanedione), which, upon electronic excitation, undergoes intramolecular charge transfer in both S1 and T1 manifolds of NDP. The dipolar changes in S1 and T1 monitored via the solvatochromism for both fluorescence and phosphorescence were deduced to be 18.0 and 11.9 D, respectively. The appreciable difference in the dipolar change can be qualitatively rationalized by different extents of charge-transfer character between S1 and T1 states. The results led to the probe of other reactions in triplet manifold feasible.
Interleaved Ultrawideband Antenna Arrays Based on Optimized Polyfractal Tree Structures (2009)

There is considerable interest in interleaving multiple phased array antennas into a single common aperture system. Current phased array antenna technology is limited to narrowband operation, leading to the appearance of grating lobes and strong mutual coupling effects when they are incorporated into the design of a common aperture system. To overcome this obstacle, a new class of arrays, called polyfractal arrays, has been introduced that possess natural wideband properties well suited for large-scale genetic algorithm optimizations. These arrays also possess recursive beamforming properties and an autopolyploidy-based chromosome expansion that can dramatically accelerate the convergence of a genetic algorithm. In addition, a robust Pareto optimization can be applied to reduce the peak sidelobe levels at several frequencies throughout the intended operating band, leading to ultrawideband antenna array designs. Because of their lack of grating lobes, these polyfractal arrays are ideal building blocks for interleaved antenna array systems. This paper develops these concepts, first creating ultrawideband array designs based on polyfractal geometries and then interleaving these designs into a common aperture system. Several examples of interleaved systems are discussed, with one two-array system possessing a peak sidelobe level of nearly -18 dB with no grating lobes over a 20:1 bandwidth with either of the component array mainbeams steered independently up to 60° from broadside.
A COLOR TEST FOR THE MEASUREMENT OF ANTIBODY TO THE NON-ACID-FORMING HUMAN MYCOPLASMA SPECIES1 (1966)

Journal Article A COLOR TEST FOR THE MEASUREMENT OF ANTIBODY TO THE NON-ACID-FORMING HUMAN MYCOPLASMA SPECIES Get access R. H. PURCELL, R. H. PURCELL Search for other works by this author on: Oxford Academic PubMed Google Scholar D. TAYLOR-ROBINSON, D. TAYLOR-ROBINSON Search for other works by this author on: Oxford Academic PubMed Google Scholar D. C. WONG, D. C. WONG Search for other works by this author on: Oxford Academic PubMed Google Scholar R. M. CHANOCK R. M. CHANOCK Search for other works by this author on: Oxford Academic PubMed Google Scholar American Journal of Epidemiology, Volume 84, Issue 1, July 1966, Pages 51–66, https://doi.org/10.1093/oxfordjournals.aje.a120627 Published: 01 July 1966 Article history Received: 17 September 1965 Published: 01 July 1966
Chemical Communication among Bacteria (2008)

"The latest findings on chemical communication among bacteria and potential areas for future research. Includes four sections that address cell-cell signaling during development and DNA exchange; signaling in relationship to humans, animals, and plants; production and detection of chemical signals; and eukaryotic quorum sensing. Presents new discoveries, including the structures of three bacterial signal synthases, signal receptors, mechanisms of signal transduction, pathways, and the expression of target genes. Provides a comprehensive overview of signal synthesis, detection, and its impacts on bacterial behavior."
Patternable Protein Resistant Surfaces for Multifunctional Microfluidic Devices via Surface Hydrophilization of Porous Polymer Monoliths Using Photografting (2006)

Surface-modified macroporous polymer monoliths that resist the adsorption of proteins have been prepared using both single- and two-step photografting of hydrophilic monomers. The adsorption of protein was measured using a fluorescence assay based on bovine serum albumin labeled with fluorescein. Acrylamide, 2-hydroxyethyl methacrylate, vinyl pyrrolidinone, and poly(ethylene glycol) methacrylate (PEGMA) monomers were grafted and evaluated for their ability to prevent protein adsorption. Photografted layers of PEGMA reduced protein adsorption to less than 2% relative to unmodified surfaces. The sequential two-step photografting process consisted in (i) the formation of covalently bound surface photoinitiator sites followed by (ii) surface-localized graft polymerization. Monomer concentration and irradiation time during photografting were found to be the most important parameters for optimization of the two-step process. For simultaneous single-step photografting, the solvent and the presence of photoinitiator were the key variables. Initiator-free single-step photografting was less efficient than the two-step technique, yet resulted in similar prevention of protein adsorption after grafting for an extended period of time. The utility of photografting as a simple, patternable modification technique was demonstrated by first creating a hydrophilic surface within the monolith that was subsequently patterned with a layer of reactive 2-vinyl-4,4-dimethylazlactone polymer chains followed by the immobilization of green fluorescent protein.