gebhart/patrepeval huggingface dataset:
Shear-Induced Solution Crystallization of Poly(3-hexylthiophene) (P3HT) (2014)

The rheological properties of poly(3-hexylthiophene) (P3HT) solutions were investigated in a nonvolatile solvent, 2-ethylnaphthalene, at various P3HT concentrations. A mild viscosity increase was noted during shear for lower concentration P3HT solutions over 24 h, yet the viscosity increase was greater than if the sample was not sheared at all over the same time period. In this case, crystalline fibrils with large aspect ratios were formed during shear. Crystallization was determined to be dictated by Brownian motion and mediated by shear, or in other words Brownian motion brought the molecules together while shear changed their conformation to allow crystallization. Higher concentration P3HT solutions produced a significant viscosity increase, up to 2 orders of magnitude, during shear. Again, if a similar solution was merely aged without shear, a much lower viscosity increase was noted. Simple calculations show that the fibril concentration was above the percolation threshold at the higher concentration accounting for the large viscosity increase. Finally, the crystal structure of P3HT after shear was found to have π–π stacking (b-axis) direction parallel to the crystalline needle axis, as seen for crystals formed under quiescent conditions, yet the crystalline fibrils are micrometers long. The proposed mechanism for crystal formation is that Brownian motion brings the molecules to a growing crystal face while shear removes improperly incorporated chains, allowing longer crystals to form. This phenomenon is expected to apply to other systems, allowing formation of longer, more perfect crystalline fibrils.
Increased power by harmonizing structural MRI site differences with the ComBat batch adjustment method in ENIGMA (2020)

A common limitation of neuroimaging studies is their small sample sizes. To overcome this hurdle, the Enhancing Neuro Imaging Genetics through Meta-Analysis (ENIGMA) Consortium combines neuroimaging data from many institutions worldwide. However, this introduces heterogeneity due to different scanning devices and sequences. ENIGMA projects commonly address this heterogeneity with random-effects meta-analysis or mixed-effects mega-analysis. Here we tested whether the batch adjustment method, ComBat, can further reduce site-related heterogeneity and thus increase statistical power. We conducted random-effects meta-analyses, mixed-effects mega-analyses and ComBat mega-analyses to compare cortical thickness, surface area and subcortical volumes between 2897 individuals with a diagnosis of schizophrenia and 3141 healthy controls from 33 sites. Specifically, we compared the imaging data between individuals with schizophrenia and healthy controls, covarying for age and sex. The use of ComBat substantially increased the statistical significance of the findings as compared to random-effects meta-analyses. The findings were more similar when comparing ComBat with mixed-effects mega-analysis, although ComBat still slightly increased the statistical significance. ComBat also showed increased statistical power when we repeated the analyses with fewer sites. Results were nearly identical when we applied the ComBat harmonization separately for cortical thickness, cortical surface area and subcortical volumes. Therefore, we recommend applying the ComBat function to attenuate potential effects of site in ENIGMA projects and other multi-site structural imaging work. We provide easy-to-use functions in R that work even if imaging data are partially missing in some brain regions, and they can be trained with one data set and then applied to another (a requirement for some analyses such as machine learning).
Adaptation of a Duck Influenza A Virus in Quail (2011)

Quail are thought to serve as intermediate hosts of influenza A viruses between aquatic birds and terrestrial birds, such as chickens, due to their high susceptibility to aquatic-bird viruses, which then adapt to replicate efficiently in their new hosts. However, does replication of aquatic-bird influenza viruses in quail similarly result in their efficient replication in humans? Using sialic acid-galactose linkage-specific lectins, we found both avian (sialic acid-α2-3-galactose [Siaα2-3Gal] linkages on sialyloligosaccharides)--and human (Siaα2-6Gal)-type receptors on the tracheal cells of quail, consistent with previous reports. We also passaged a duck H3N2 virus in quail 19 times. Sequence analysis revealed that eight mutations accumulated in hemagglutinin (HA) during these passages. Interestingly, many of the altered HA amino acids found in the adapted virus are present in human seasonal viruses, but not in duck viruses. We also found that stepwise stalk deletion of neuraminidase occurred during passages, resulting in reduced neuraminidase function. Despite some hemagglutinin mutations near the receptor binding pocket, appreciable changes in receptor specificity were not detected. However, reverse-genetics-generated viruses that possessed the hemagglutinin and neuraminidase of the quail-passaged virus replicated significantly better than the virus possessing the parent HA and neuraminidase in normal human bronchial epithelial cells, whereas no significant difference in replication between the two viruses was observed in duck cells. Further, the quail-passaged but not the original duck virus replicated in human bronchial epithelial cells. These data indicate that quail can serve as intermediate hosts for aquatic-bird influenza viruses to be transmitted to humans.
A digital x-ray tomosynthesis coupled near infrared spectral tomography system for dual-modality breast imaging (2012)

A Near Infrared Spectral Tomography (NIRST) system has been developed and integrated into a commercial Digital Breast Tomosynthesis (DBT) scanner to allow structural and functional imaging of breast in vivo. The NIRST instrument uses an 8-wavelength continuous wave (CW) laser-based scanning source assembly and a 75-element silicon photodiode solid-state detector panel to produce dense spectral and spatial projection data from which spectrally constrained 3D tomographic images of tissue chromophores are produced. Integration of the optical imaging system into the DBT scanner allows direct co-registration of the optical and DBT images, while also facilitating the synergistic use of x-ray contrast as anatomical priors in optical image reconstruction. Currently, the total scan time for a combined NIRST-DBT exam is ~50s with data collection from 8 wavelengths in the optical scan requiring ~42s to complete. The system was tested in breast simulating phantoms constructed using intralipid and blood in an agarose matrix with a 3 cm x 2 cm cylindrical inclusion at 1 cm depth from the surface. Diffuse image reconstruction of total hemoglobin (HbT) concentration resulted in accurate recovery of the lateral size and position of the inclusion to within 6% and 8%, respectively. Use of DBT structural priors in the NIRST reconstruction process improved the quantitative accuracy of the HbT recovery, and led to linear changes in imaged versus actual contrast, underscoring the advantages of dual-modality optical imaging approaches. The quantitative accuracy of the system can be further improved with independent measurements of scattering properties through integration of frequency or time domain data.
Tungsten nitrene complexes Tp prime W(CO) sub 2 (NR) sup + (R = Ph, Bu sup t ) generated from amido complexes Tp prime W(CO) sub 2 (NHR) (1990)

Metal nitrene (or imido) chemistry has expanded since olefin amination with d{sup 0} osmium(VIII) reagents was achieved. Zirconium nitrene monomers display insertion reactions and activate CH bonds, and a d{sup 6} iridium nitrene, Cp*IrNBu{sup t}, inserts a variety of electrophilic organic substrates. Nonetheless, well-characterized electrophilic nitrene complexes remain elusive. The authors report a convenient synthesis of cationic carbonyl nitrene derivatives of tungsten(IV) whose chemistry suggests electrophilic character at nitrogen.
Modeling wireless channel delay spread trends (2009)

Wireless channel measurement and modeling is increasing in sophistication in order to more accurately account for channel effects upon communication signals. In this paper we provide an analysis of measured delay spread trends in an outdoor environment in the 5 GHz band. We quantify the increase in delay spread when making a transition from line-of-sight to non-line-of-sight regions. This information may be of use in future high performance adaptive communication systems that work to ldquoanticipaterdquo channel changes, and for the creation of future wireless environment maps.
Extensive Citrullination Promotes Immunogenicity of HSP90 through Protein Unfolding and Exposure of Cryptic Epitopes (2016)

Post-translational protein modifications such as citrullination have been linked to the breach of immune tolerance and clinical autoimmunity. Previous studies from our laboratory support this concept, demonstrating that autoantibodies targeting citrullinated isoforms of heat shock protein 90 (HSP90) are associated with rheumatoid arthritis complicated by interstitial lung disease. To further explore the relationship between citrullination and structural determinants of HSP90 immunogenicity, we employed a combination of ELISA-based epitope profiling, computational modeling, and mass-spectrometric sequencing of peptidylarginine deiminase (PAD)-modified protein. Remarkably, ELISAs involving selected citrullinated HSP90β/α peptides identified a key epitope corresponding to an internal Arg residue (R502 [HSP90β]/R510 [HSP90α]) that is normally buried within the crystal structure of native/unmodified HSP90. In vitro time/dose-response experiments reveal an ordered pattern of PAD-mediated deimination events culminating in citrullination of R502/R510. Conventional as well as scaled molecular dynamics simulations further demonstrate that citrullination of selected Arg residues leads to progressive disruption of HSP90 tertiary structure, promoting exposure of R502/R510 to PAD modification and subsequent autoantibody binding. Consistent with this process, ELISAs incorporating variably deiminated HSP90 as substrate Ag indicate a direct relationship between the degree of citrullination and the level of ex vivo Ab recognition. Overall, these data support a novel structural paradigm whereby citrullination-induced shifts in protein structure generate cryptic epitopes capable of bypassing B cell tolerance in the appropriate genetic context.
Chiral Effect of a Phe Residue in Position 3 of the Dmt1-l(or d)-Tic2 Analogues on Opioid Functional Activities (2013)

In this letter, we describe a structure-activity relationships study, specifically related to the chirality of third amino acid residue in our H-Dmt-L(or D)-Tic analogues, of which C-terminus is attached to a piperidinyl moiety. Observed selectivities and functional activities of these analogues demonstrated that the chiralities of the second and third position residues are crucial for determining whether these ligands act as antagonists or agonists at the <i>δ</i> opioid receptor, but not at the <i>μ</i> opioid receptor.
Verification of Effects of Alternative Electromagnetic Treatment on Control of Biofilm and Scale Formation by a New Laboratory Biofilm Reactor (2016)

This chapter focuses on the pipeworks used for geothermal generation in hot spring resorts and their scale and biofilm formation problems, with the development of scale at the inner walls usually decreasing the generating efficiency. The hot spring water exists deep under the ground and has to be pumped up by pipeworks. The pipes diameter would be usually decreased and would lead to insufficient efficiency for geothermal generation. Three types of metallic tiny sheets were used as pipes specimens in an experiment, with the specimen's dimensions being 10mm x 20mm. The computer software installed in the apparatus assigned colors to various points on the specimen's surface, depending on their heights. The sea-island structures observed from the vertical upper direction would demonstrate the existence of biofilm, since it generally has concavo-convex profiles in several micrometer orders. The specimens were irradiated by green laser (532nm) and the Raman Spectroscopic shits were measure particularly between 650 cm-1 and 1700 cm-1.
Data from Cell Type–Specific, Topoisomerase II–Dependent Inhibition of Hypoxia-Inducible Factor-1α Protein Accumulation by NSC 644221 (2023)

&lt;div&gt;Abstract&lt;p&gt;&lt;b&gt;Purpose:&lt;/b&gt; The discovery and development of small-molecule inhibitors of hypoxia-inducible factor-1 (HIF-1) is an attractive, yet challenging, strategy for the development of new cancer therapeutic agents. Here, we report on a novel tricyclic carboxamide inhibitor of HIF-1α, NSC 644221.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Experimental Design:&lt;/b&gt; We investigated the mechanism by which the novel compound NSC 644221 inhibited HIF-1α.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Results:&lt;/b&gt; NSC 644221 inhibited HIF-1–dependent, but not constitutive, luciferase expression in U251-HRE and U251-pGL3 cells, respectively, as well as hypoxic induction of vascular endothelial growth factor mRNA expression in U251 cells. HIF-1α, but not HIF-1β, protein expression was inhibited by NSC 644221 in a time- and dose-dependent fashion. Interestingly, NSC 644221 was unable to inhibit HIF-1α protein accumulation in the presence of the proteasome inhibitors MG132 or PS341, yet it did not directly affect the degradation of HIF-1α as shown by experiments done in the presence of cyclohexamide or pulse-chase labeling using [&lt;sup&gt;35&lt;/sup&gt;S]methionine. In contrast, NSC 644221 decreased the rate of HIF-1α translation relative to untreated controls. Silencing of topoisomerase (topo) IIα, but not topo I, by specific small interfering RNA completely blocked the ability of NSC 644221 to inhibit HIF-1α. The data presented show that topo II is required for the inhibition of HIF-1α by NSC 644221. Furthermore, although NSC 644221 induced p21 expression, γH2A.X, and G&lt;sub&gt;2&lt;/sub&gt;-M arrest in the majority of cell lines tested, it only inhibited HIF-1α in a distinct subset of cells, raising the possibility of pathway-specific “resistance” to HIF-1 inhibition in cancer cells.&lt;/p&gt;&lt;p&gt;&lt;b&gt;Conclusions:&lt;/b&gt; NSC 644221 is a novel HIF-1 inhibitor with potential for use as both an analytic tool and a therapeutic agent. Our data provide a strong rationale for pursuing the preclinical development of NSC 644221 as a HIF-1 inhibitor.&lt;/p&gt;&lt;/div&gt;
Stereoselective Synthesis of all-trans-Isomers of 1,2,3,4-Tetrahydropyridines and Piperidines from Hantzsch-Type 1,4-Dihydropyridines (1985)

Reduction par le triethylsilane en presence d'acide trifluoroacetique de dihydro-1,4 pyridines
INTERNATIONAL SYSTEM OF PREFIXES AND UNITS (2008)

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Selective Deuteration of Heterocycle N-Oxides via Iridium-Catalysed Hydrogen Isotope Exchange (2023)

Abstract An iridium(I) N-heterocyclic carbene/phosphine complex has been applied to the C–H activation and hydrogen isotope exchange of quinoline N-oxides. The isotope labelling proceeds under exceptionally low catalyst loadings of 0.25 mol% and delivers products with high levels of deuterium incorporation selectively at the C8 position. A broad substrate scope is demonstrated, with the method tolerant of electron-poor and -rich substrates, and of substitution adjacent to the site of C–H activation. The isotope label is fully retained under standard deoxygenation conditions to give the corresponding labelled quinoline, and the labelling and deoxygenation can be combined in a one-pot procedure.
32.1: Invited Paper : LCD Embedded Hybrid Touch Screen Panel Based on a‐Si:H TFT (2009)

Abstract A new hybrid‐type touch screen panel (TSP) has been developed based on a‐Si:H TFT which can detect the change of both C LC and photo‐current. This TSP can detect the difference of C LC between touch and no‐touch states in unfavorable conditions such as dark ambient light and shadows. The hybrid TSP sensor consists of a detection area which includes one TFT for photo sensing and two TFTs for amplification. Compared to a single internal capacitive TSP or an optical sensing TSP, this new proposed hybrid‐type TSP enables larger sensing margin due to embedding of both optical and capacitive sensors.
Cyclooxygenase Inhibitors Prevent the Induction of Tolerance to the Toxic Effects of Tumor Necrosis Factor (1993)

Nonsteroidal anti-inflammatory drugs, such as indomethacin (INDO), prevent acute toxicity caused by a single bolus injection of tumor necrosis factor (TNF). However, when given as a pretreatment to repetitive daily injections of TNF, INDO enhances toxicity. We investigated the effect of INDO on the induction of tolerance that develops after repeated injections of TNF, when administered in strictly dose- and schedule-dependent manners. Both INDO and another cyclooxygenase inhibitor, piroxicam, abrogated induction of a protective effect to a subsequent, potentially lethal challenge with TNF. At the same time, INDO blocked glucocorticoid induction by TNF. We conclude that cyclooxygenase inhibitors interfere with the pathway leading to protective tolerance. Hence, caution should be exercised when INDO is included in protocols involving multiple TNF administrations.
Solubility of Hydrogen Defects in Doped and Undoped BaTiO 3 (1988)

Thermal desorption studies and electrical conductivity measurements have been used to investigate the solubility of hydrogen defects in barium titanate ceramics in oxidizing atmospheres. Hydrogen is found to dissolve in the perovskite lattice of undoped and acceptor‐doped BaTiO 3 by the formation of hydroxide ions on regular oxygen ion sites. The hydrogen defects act as mobile donors and may substitute the oxygen vacancies in compensating fixed acceptors. From the dependence of the solubility on the water vapor pressure and the dopant concentration, the incorporation/desorption equilibrium reaction is deduced. A defect model is derived which consistently extends previously proposed models. The influence of Ba 2 TiO 4 and Ba 6 Ti 17 O 40 second phases on the solubility of hydrogen defects is discussed.
Aus eins mach zwei: die Zwillingspolymerisation (2013)

Abstract Die Zwillingspolymerisation von organisch‐anorganischen Hybridmonomeren ist eine leistungsfähige Methode, um poröse Materialien und Nanokomposite herzustellen.
Broadband Direction-Of-Arrival Estimation Based on Second Order Statistics (1999)

N wideband sources recorded using N closely spaced receivers can feasibly be separated based only on second order statistics when using a physical model of the mixing process. In this case we show that the parameter estimation problem can be essentially reduced to considering directions of arrival and attenuations of each signal. The paper presents two demixing methods operating in the time and frequency domain and experimentally shows that it is always possible to demix signals arriving at different angles. Moreover, one can use spatial cues to solve the channel selection problem and a post-processing Wiener filter to ameliorate the artifacts caused by demixing. 1 Introduction Blind source separation (BSS) is capable of dramatic results when used to separate mixtures of independent signals. The method relies on simultaneous recordings of signals from two or more input sensors and separates the original sources purely on the basis of statistical independence between them. Unfortunatel...
A Novel Biochemical-Based Paraffin Wax Removal Program Providing Revenue Generation and Asset Enhancement (2019)

Abstract New biochemically-derived products for the removal of paraffin wax from oil wells do not require additional capex nor heat and do not utilize bacteria. They contain inactivated microbial cells, biosurfactants and biosolvents, and other components harvested as microbial byproducts that emulsify and dissolve paraffin from rock pores and from the well surfaces over wide temperature, salinity, depth, and pH ranges. Additionally, they increase oil recovery by remediating near-wellbore formation damage, reducing interfacial tension, altering rock surfaces and changing their wettability, and reducing oil viscosity. The product application is environmentally superior to well treatments using hot oil/water and aromatic solvents and is economical due to low capital and operating costs required for product synthesis. Specifically, product preparation is achieved using a modular fermentation system that is installed near the points of application. This insures highly efficient and low-cost production and logistics, as well as reducing time from generation to application which maximizes potency. With sufficient space, water, and electricity, the initial manufacture of the dispersal products can occur within a few weeks. The treatment products utilized were initially developed and tested in laboratory studies, which showed that dispersion rates of the relevant paraffin samples were comparable to those achieved with toluene. The paraffin dispersal products exhibit a very high level of efficacy and safety when deployed in the Appalachian and Permian Basins. The potency of these products has led to outstanding paraffin removal results as indicated by reduced well failures in both vertical and horizontal wells and by visual observation of sucker rods removed from the wells. In addition, tank sludge and wax deposits in pipelines can be removed through either residual product flowing from the well or through direct application. Growth of detrimental bacteria and formation of biofilms are inhibited by the product application thereby reducing corrosion risk. Specifically, details of an almost two-year 70-well study in the Appalachian Basin are reported in which no well failures were observed due to paraffin buildup and 95% of the wells exhibited an enhanced oil recovery effect during the paraffin remediation treatments. This resulted in an approximate 50% average increase in sustained production rate over baseline. Analysis of the results forecasts a substantial increase in future production, thereby significantly enhancing the value of the producing wells. Importantly, longer times between required treatments and the increased recovery rates have transformed the paraffin maintenance program into a documented revenue generator for the operator.
CYTOTOXIC T LYMPHOCYTE ANTIGEN 4-IMMUNOGLOBULIN FUSION PROTEIN COMBINED WITH METHOTREXATE/CYCLOSPORINE AS GRAFT-VERSUS-HOST DISEASE PREVENTION IN A CANINE DOG LEUKOCYTE ANTIGEN-NONIDENTICAL MARROW TRANSPLANT MODEL1 (2000)

Survivals of cytotoxic T lymphocyte antigen 4-immunoglobulin fusion protein-treated dogs were only slightly prolonged over controls. It appeared that the addition of cytotoxic T lymphocyte antigen 4-immunoglobulin fusion protein failed to induce graft-host tolerance in this model beyond that achieved with methotrexate/cyclosporine alone.
User Study, Analysis, and Usable Security of Passwords Based on Digital Objects (2011)

Despite all efforts, password schemes intended to deploy or encourage the use of strong passwords have largely failed. As an alternative to enable users to create, maintain, and use high-quality passwords willingly, we propose Object-based Password (ObPwd), leveraging the universe of personal or personally meaningful digital content that many users now own or have access to. ObPwd converts user-selected digital objects to high-entropy text passwords. Memorization of exact passwords is replaced by remembering password objects. We present the design details, variants, and usability and security analysis of ObPwd, and report on the results of a hybrid in-lab/at-home user study on 32 participants. The results suggest the scheme has good usability, with excellent memorability, acceptable login times, and very positive user perception, achieved while providing strong security for the threat context explored. We believe this work lays the foundation for a promising password selection paradigm.