gebhart/patrepeval huggingface dataset:
1,10‐Phenanthroline and Non‐Symmetrical 1,3,5‐Triazine Dipicolinamide‐Based Ligands For Group Actinide Extraction (2014)

The synthesis and evaluation of new extractants for spent nuclear fuel reprocessing are described. New bitopic ligands constituted of phenanthroline and 1,3,5-triazine cores functionalized by picolinamide groups were designed. Synthetic routes were investigated and optimized to obtain twelve new polyaza-heterocyclic ligands. In particular, an efficient and versatile methodology was developed to access non-symmetric 2-substituted-4,6-di(6-picolin-2-yl)-1,3,5-triazines from the 1,3,5-triazapentadiene precursor in the presence of anhydride reagents. Extraction studies showed the ability of both ligand series to extract and separate actinides selectively at different oxidation states (U(VI), Np(V,VI), Am(III), Cm(III), and Pu(IV)) from an acidic solution (3 M HNO3). Phenanthroline-based ligands show the most promising efficiency for use in the group actinide extraction (GANEX) process due to a higher number of donor nitrogen atoms and a suitable pre-organization of the dipicolinamide-1,10-phenanthroline architecture.
Intrathecal Immune Response in Neonatal <i>Flavobacterium meningosepticum</i> Meningitis (1995)

Neonates are predisposed to serious infections such as meningitis, probably due to their immature host reaction to the pathogens. We have studied the intrathecal immune response in 2 newborns with Flavobacterium meningosepticum meningitis. They showed a significant elevation of immunoglobulin indices ( >1.10), also after the CSF had become sterile with a normalized cell count. In addition, an intrathecal increase and subsequent decrease of both C3dg and TCC (terminal complement complex) were observed in 1 patient. We conclude that immunoglobulin production and complement activation may occur in neonatal CSF.
Identification and Synthesis of Novel Inhibitors of Acetyl-CoA Carboxylase with in Vitro and in Vivo Efficacy on Fat Oxidation (2010)

Acetyl CoA carboxylase isoforms 1 and 2 (ACC1/2) are key enzymes of fat utilization and their inhibition is considered to improve aspects of the metabolic syndrome. To identify pharmacological inhibitors of ACC1/2, a high throughput screen was performed which resulted in the identification of the lead compound 3 ( Gargazanli , G. ; Lardenois , P. ; Frost , J. ; George , P. Patent WO9855474 A1, 1998 ) as a moderate selective ACC2 inhibitor. Optimization of 3 led to 4m ( Zoller , G. ; Schmoll , D. ; Mueller , M. ; Haschke , G. ; Focken , I. Patent WO2010003624 A2, 2010 ) as a submicromolar dual ACC1/2 inhibitor of the rat and human isoforms. 4m possessed favorable pharmacokinetic parameters. This compound stimulated fat oxidation in vivo and reduced plasma triglyceride levels in a rodent model after subchronic administration. 4m is a suitable tool compound for the elucidation of the pharmacological potential of ACC1/2 inhibition.
Environmentally benign glycosylation of aryl pyranosides and aryl/alkyl furanosides demonstrating the versatility of thermostable CGTase from Thermoanaerobacterium sp. (2014)

The specificity of transglycosylation of <italic>Thermoanaerobacterium</italic> sp. CGTase against aryl furanosides is reported.
Passive acoustic mapping of magnetic microbubbles in an in vitro flow model (2013)

Magnetic microbubbles can be successfully retained near a vascular target and simultaneously imaged using conventional B-mode ultrasound. When further modified to carry a drug, they could enable significant enhancements in targeted drug delivery for applications such as sonothrombolysis, where stable cavitation has been shown to play a key role. However, the effect of the increased proximity of the microbubbles under the effect of the magnetic field on their acoustic response remains unknown. Passive Acoustic Mapping is a method that enables real-time spatiotemporal monitoring of cavitation dynamics in an arbitrary plane or volume within the field of view of the ultrasound probe, and classification of the type of cavitation activity on the basis of the spatial distribution of frequency-domain emissions. In the present work, PAM is used to investigate the effect of bubble proximity and flow rate on the type, sustainability, intensity and spatial distribution of cavitation activity observed for both magnetic and non-magnetic microbubbles excited by 0.5MHz therapeutic ultrasound in an in vitro flow model. It is hoped that this study will not only yield a new method for real-time monitoring of drug delivery using magnetically trapped microbubbles, but will also help elucidate complex bubble-bubble interactions in therapeutic ultrasound fields.
Experimental investigation and modelling of compressibility induced by damage in carbon black-reinforced natural rubber (2014)

While natural rubber is commonly considered as an incompressible material, this study shows how carbon black-reinforced natural rubber (NR-CB), when subjected to various mechanical loading conditions (uniaxial, hydrostatic, monotonic, cyclic), is affected by volume change. Experiments show a volume variation even for low straining values and a significant volume change for large elongations. Moreover, volume change can be either reversible or not, depending on the loading conditions. It is related to a competition between void growth, chain orientation, and stress softening. At a microscopic scale, in situ Scanning Electron Microscopy (SEM) examinations and image analysis allow one to record damage and microscopic volume change as a function of elongation. Therefore the volume change measured at the microscopic scale is equal to the macroscopic one. Based on the experimental results, this paper shows that the hypothesis of incompressibility is worth being revisited. Thus, a nearly compressible approach was considered, where the strain energy is assumed to be the sum of spherical and deviatoric parts that are both affected by damage. The model was then implemented in a finite-element code. Good agreement was obtained between experimental results and model predictions for low triaxiality test conditions.
Probing effective field theory operators in the associated production of top quarks with a Z boson in multilepton final states at $$ \sqrt{s} $$ = 13 TeV (2021)

A bstract A search for new top quark interactions is performed within the framework of an effective field theory using the associated production of either one or two top quarks with a Z boson in multilepton final states. The data sample corresponds to an integrated luminosity of 138 fb − 1 of proton-proton collisions at $$ \sqrt{s} $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msqrt> <mml:mi>s</mml:mi> </mml:msqrt> </mml:math> = 13 TeV collected by the CMS experiment at the LHC. Five dimension-six operators modifying the electroweak interactions of the top quark are considered. Novel machine-learning techniques are used to enhance the sensitivity to effects arising from these operators. Distributions used for the signal extraction are parameterized in terms of Wilson coefficients describing the interaction strengths of the operators. All five Wilson coefficients are simultaneously fit to data and 95% confidence level intervals are computed. All results are consistent with the SM expectations.
rSeqNP: a non-parametric approach for detecting differential expression and splicing from RNA-Seq data (2015)

Supplementary data are available at Bioinformatics online.
800 meV localization energy in GaSb/GaAs/Al0.3Ga0.7As quantum dots (2013)

The localization energies, capture cross sections, and storage times of holes in GaSb quantum dots (QDs) are measured for three GaSb/GaAs QD ensembles with different QD sizes. The structural properties, such as height and diameter, are determined by atomic force microscopy, while the electronic properties are measured using deep-level transient spectroscopy. The various QDs exhibit varying hole localization energies corresponding to their size. The maximum localization energy of 800 (±50) meV is achieved by using additional Al0.3Ga0.7As barriers. Based on an extrapolation, alternative material systems are proposed to further increase the localization energy and carrier storage time of QDs.
Poly(methylhydrosiloxane)-supported chiral imidazolinones: new versatile, highly efficient and recyclable organocatalysts for stereoselective Diels–Alder cycloaddition reactions (2012)

Poly(methylhydrosiloxane) (PMHS) supported organic catalysts promoted the Diels-Alder reaction of dienes with α,β-unsaturated aldehydes, also in pure water, in yields and enantiomeric excesses comparable to those observed with the non-supported catalysts (up to 93% ee). Recycling of the catalysts was performed with no loss of enantioselectivity for at least five reaction cycles.
ProtoPeer: From Simulation to Live Deployment in One Step (2008)

Simulators are a commonly used tool in peer-to-peer systems research. However, they may not be able to capture all the details of a system operating in a live network deployment. Transitioning from simulation to the actual system implementation is a non-trivial and time-consuming task, a problem that we propose to solve in this paper. We present ProtoPeer, a peer-to-peer systems prototyping toolkit that allows for switching between the event-driven simulation and live network deployment without changing any of the application code. ProtoPeer exports a set of APIs for message passing, message queuing, timer operations as well as overlay routing and managing the overlay neighbors. Users can plug in their own custom implementations of most of the parts of ProtoPeer including custom network models for simulation and custom message passing over transports other than the default TCP/UDP.
Layer-based, depth-resolved computation of attenuation coefficients and backscattering fractions in tissue using optical coherence tomography (2021)

Structural optical coherence tomography (OCT) images of tissue stand to benefit from greater functionalization and quantitative interpretation. The OCT attenuation coefficient <i>µ</i>, an analogue of the imaged sample's scattering coefficient, offers potential functional contrast based on the relationship of <i>µ</i> to sub-resolution physical properties of the sample. Attenuation coefficients are computed either by fitting a representative <i>µ</i> over several depth-wise pixels of a sample's intensity decay, or by using previously-developed depth-resolved attenuation algorithms by Girard <i>et al.</i> [Invest. Ophthalmol. Vis. Sci.52, 7738 (2011). 10.1167/iovs.10-6925] and Vermeer <i>et al.</i> [Biomed. Opt. Express5, 322 (2014). 10.1364/BOE.5.000322]. However, the former method sacrifices axial information in the tomogram, while the latter relies on the stringent assumption that the sample's backscattering fraction, another optical property, does not vary along depth. This assumption may be violated by layered tissues commonly observed in clinical imaging applications. Our approach preserves the full depth resolution of the attenuation map but removes its dependence on backscattering fraction by performing signal analysis inside individual discrete layers over which the scattering properties (e.g., attenuation and backscattering fraction) vary minimally. Although this approach necessitates the detection of these layers, it removes the constant-backscattering-fraction assumption that has constrained quantitative attenuation coefficient analysis in the past, and additionally yields a layer-resolved backscattering fraction, providing complementary scattering information to the attenuation coefficient. We validate our approach using automated layer detection in layered phantoms, for which the measured optical properties were in good agreement with theoretical values calculated with Mie theory, and show preliminary results in tissue alongside corresponding histological analysis. Together, accurate backscattering fraction and attenuation coefficient measurements enable the estimation of both particle density and size, which is not possible from attenuation measurements alone. We hope that this improvement to depth-resolved attenuation coefficient measurement, augmented by a layer-resolved backscattering fraction, will increase the diagnostic power of quantitative OCT imaging.
Adipocyte-specific Inactivation of Acyl-CoA Synthetase Fatty Acid Transport Protein 4 (Fatp4) in Mice Causes Adipose Hypertrophy and Alterations in Metabolism of Complex Lipids under High Fat Diet (2011)

Fatp4 exhibits acyl-CoA synthetase activity and is thereby able to catalyze the activation of fatty acids for further metabolism. However, its actual function in most tissues remains unresolved, and its role in cellular fatty acid uptake is still controversial. To characterize Fatp4 functions in adipocytes in vivo, we generated a mouse line with adipocyte-specific inactivation of the Fatp4 gene (Fatp4(A-/-)). Under standard conditions mutant mice showed no phenotypical aberrance. Uptake of radiolabeled palmitic and lignoceric acid into adipose tissue of Fatp4(A-/-) mice was unchanged. When exposed to a diet enriched in long chain fatty acids, Fatp4(A-/-) mice gained more body weight compared with control mice, although they were not consuming more food. Pronounced obesity was accompanied by a thicker layer of subcutaneous fat and greater adipocyte circumference, although expression of genes involved in de novo lipogenesis was not changed. However, the increase in total fat mass was contrasted by a significant decrease in various phospholipids, sphingomyelin, and cholesteryl esters in adipocytes. Livers of Fatp4-deficient animals under a high fat diet exhibited a higher degree of fatty degeneration. Nonetheless, no evidence for changes in insulin sensitivity and adipose inflammation was found. In summary, the results of this study confirm that Fatp4 is not crucial for fatty acid uptake into adipocytes. Instead, under the condition of a diet enriched in long chain fatty acids, adipocyte-specific Fatp4 deficiency results in adipose hypertrophy and profound alterations in the metabolism of complex lipids.
Investigation of PAM-4 modulation for WDM systems (2015)

Optical four-level pulse amplitude modulation (PAM-4) is investigated for data center applications with reach significantly greater than 10-40km standards, such as for synchronous data mirroring up to 100km or asynchronous applications with reaches beyond 100km.
Effect of Grain Size and Preferred Crystal Texture on Acoustic Properties of 304 Stainless Steel (1981)

Several acoustic properties have been measured in an annealed round rolled bar of type 304 stainless steel. These properties were observed to depend upon both microstructure and the non-random crystal texture of this single phase, polycrystalline, face-centered cubic alloy. All measurements were made with longitudinal waves propagating parallel to the bar axis. The acoustic velocity was observed to be 0.3% higher near the outer surface than along the center of the bar, consistent with a stronger [111] texture in the outer fibers than at the center. The attenuation coefficient at the center was twice as large as at the outer surface. The measured difference in grain size at the center and surface was consistent with the observed attenuation difference. The acousto-elastic coefficient measured for a uniaxial tension stress applied along a bar diameter was at least 20% higher at the bar center than at its outer surface.
β-Fused Oligoporphyrins:  A Novel Approach to a New Type of Extended Aromatic System (2000)

A novel trimeric porphyrin array in which the macrocycles are directly fused through their β-pyrrolic carbons has been prepared and investigated. These molecules feature a 7,8,17,18-tetraethylporphyrin moiety flanked on opposite sides by two tetraphenylporphyrin (TPP) moieties. The 2,3 and 12,13 β-carbon positions of the tetraethylporphyrin substructure also function as the β-carbons in the 2 and 3 positions of the two TPP macrocycles. This framework was prepared via the reaction of 2,5-bis[(N,N,N-trimethylammonium)methyl]-3,4-diethylpyrrole diiodide with the nickel(II) complex of pyrrolo[3,4-b]-5,10,15,20-tetraphenylporphyrin, which afforded a 62-π-electron 72-atom macrocycle (2) with a central free-base tetraethylporphyrin and two terminal nickel(II) TPP functionalities. The tri-free-base complex (1) was obtained by treatment of the dinickel(II) complex with sulfuric acid followed by neutralization. Crystallographic characterization of 1 (as its tetracation salt) and 2 (as its dication salt) revealed that this type of molecule bears a considerable degree of macrocyclic flexibility. Luminescence spectra of 1 displayed an intense band around 800 nm, making these types of macrocycles promising candidates as chromophores for labels and sensors in biological media. Both 1 and 2 exhibited complex optical spectra, each of which displayed an intensely red shifted Q-band [1, λmax (nm) 369 (ε 36 400), 416 (49 700), 488 (71 200), 562 (16 500), 650 (15 700), 744 (42 300); 2, λmax nm 361 (ε 87 200), 408 (107 000), 486 (189 000), 558 (27 700), 650 (28 200), 682 (31 100), 716 (175 500)]. Selective protonation of 1 with TFA afforded a green tetracationic species [(H4−H2−H4)4+·1] with an even more red-shifted Q-band (848 nm) while addition of excess TFA yielded a red hexaprotonated species [(H4−H4−H4)6+·1]. Optical analyses of 1, using the INDO/SCI and orbital localization techniques, were performed to obtain information with regard to the degree of macrocyclic π-electron delocalization. These studies showed that the optical properties of 1 cannot be described within the excitonic model of weakly interacting macrocycles (α > 60%), and that π-electron delocalization over the 72-atom macrocycle is not complete. Even though resonance structures for the 72-atom macrocycle imply a fully conjugated aromatic system, our data indicated that the three constituent porphyrin macrocycles behave somewhat more like discrete aromatic systems.
Transmembrane T‐cell receptor peptides inhibit B‐ and natural killer‐cell function (2003)

A synthetic hydrophobic peptide (core peptide; CP) containing two positively charged amino acids, lysine and arginine was derived from the transmembrane sequence of the T-cell receptor (TCR) alpha chain and has been shown to inhibit T-cell-mediated inflammation. In this study, we investigated the specificity of CP (10 microm) on lymphocyte function and found that it significantly inhibited interleukin-2 production in T cells and natural killer cytotoxicity by 46-58% compared to positive control. CP had no effects on B-cell proliferative responses when used at these concentrations; however, it suppressed B-cell proliferation at higher concentrations (50 microm). Inhibition by CP was not the result of membrane pore formation or cytotoxicity when examined by trypan blue, propidium iodide staining or transmission electron microscopy. CP analogues, with both lysine and arginine replaced by neutral or negatively charged amino acids, or by randomly distributing charges in the peptide sequence, had no effect on lymphocyte function. These results suggest that peptide inhibition is affected by its structure and charge interactions, and may involve common signalling molecules in T, B and natural killer cells. The potential of the immuno-inhibitory effects of CP as a novel anti-inflammatory peptide in therapy should be further explored.
Nano-Stationary Phases for Capillary Electrophoresis Techniques (2017)

Capillary electrophoresis (CE) is a rapidly growing technique in separation sciences due to its high-resolution power, short analysis times, and low consumption of reagents and samples. CE is considered a special case of electrokinetic separation technique using an electrical field through submillimeter diameter capillaries and in micro- and nanofluidic channels to separate the components of a mixture. Nanomaterial (NM)-enhanced CE is considered an effective technique for the liquid-phase separation of various species ranging from metal ions to organic molecules to biomolecules. The applications of nano-stationary phases are rapidly rising and are changing the science of separation techniques. The large surface- area-to-volume ratio enhances the ability of the NPs to selectively interact with the capillary surface and/or the analyte yielding high mass transfer and radically changes the separation performances. This chapter highlights the recent advancements in nano- stationary phases for CE techniques and further applications.
Polydentate tertiary amine aluminium hydride adducts: monomeric versus polymeric species (1992)

Treatment of H3AlNMe3 with 1,3,5-trimethylhexahydro-1,3,5-triazine (tmtz) yields trigonal bipyramidal, monomeric [H3Al(tmtz)2], 1, or polymeric [H3Al(tmtz)]∞, 2, which undergo N–CH2 cleavage at ca. 123 °C; nitrogen-atoms in 1 and 2 are in apical positions, as also established for polymeric [H3Al(N,N,N′,N′-tetramethylpropylenediamine)]∞, in accordance with ab initio molecular orbital calculations on the model system H3Al(NH3)2.
Antibodies to neutrophil granulocyte myeloperoxidase and elastase: autoimmune responses in glomerulonephritis due to hydralazine treatment (1991)

Autoantibodies against myeloperoxidase and elastase were found in a study of nine patients who had developed glomerulonephritis after treatment with hydralazine, but not in patients who were treated with hydralazine without side-effects. Circulating IgM isotype antibodies against myeloperoxidase, and IgM and IgG anti-elastase, were mainly present during the initial months after withdrawal of the drug. By contrast, IgG isotype antibodies against myeloperoxidase, initially found in seven patients, had increased in concentration and were present in all patients at follow-up after 4-12 years.
Color reproduction on shrink sleeves (2015)

Abstract Wrapping heat‐deformable plastic labels around packages relies on a shrinking process. Shrinking plastic labels distorts not only the shape but also the color of the printed artwork. In this study, we analyze and model the color shifts induced by shrinkage. The ultimate goal is to generate full color images which after shrinking have colors as close as possible to the original colors. For this purpose, we present a thickness enhanced Clapper–Yule prediction model. Its calibration requires spectral measurements of original, nonshrunk samples, as well as the measured shrinkage factors. With the prediction model, we establish a table creating the correspondences between target colors after shrinking and ink area coverages. This enables creating color images which after shrinking match the original images. © 2015 Wiley Periodicals, Inc. Col Res Appl, 41, 56–63, 2016
Direct recognition of pathogen effectors by plant NLR immune receptors and downstream signalling (2022)

Plants deploy extracellular and intracellular immune receptors to sense and restrict pathogen attacks. Rapidly evolving pathogen effectors play crucial roles in suppressing plant immunity but are also monitored by intracellular nucleotide-binding, leucine-rich repeat immune receptors (NLRs), leading to effector-triggered immunity (ETI). Here, we review how NLRs recognize effectors with a focus on direct interactions and summarize recent research findings on the signalling functions of NLRs. Coiled-coil (CC)-type NLR proteins execute immune responses by oligomerizing to form membrane-penetrating ion channels after effector recognition. Some CC-NLRs function in sensor-helper networks with the sensor NLR triggering oligomerization of the helper NLR. Toll/interleukin-1 receptor (TIR)-type NLR proteins possess catalytic activities that are activated upon effector recognition-induced oligomerization. Small molecules produced by TIR activity are detected by additional signalling partners of the EDS1 lipase-like family (enhanced disease susceptibility 1), leading to activation of helper NLRs that trigger the defense response.