gebhart/patrepeval huggingface dataset:
Interfacial Modification of Clay Nanotubes for the Sustained Release of Corrosion Inhibitors (2012)

Long-lasting anticorrosive coatings for steel have been developed on the basis of halloysite nanotubes loaded with three corrosion inhibitors: benzotriazole, mercaptobenzothiazole, and mercaptobenzimidazole. The inhibitors' loaded tubes were admixed at 5-10 wt % to oil-based alkyd paint providing sustained agent release and corrosion healing in the coating defects. The slow 20-30 h release of the inhibitors at defect points caused a remarkable improvement in the anticorrosion efficiency of the coatings. Further time expansion of anticorrosion agent release has been achieved by the formation of release stoppers at nanotube ends with urea-formaldehyde copolymer and copper-inhibitor complexation. The corrosion protection efficiency was tested on ASTM A366 steel plates in a 0.5 M NaCl solution with the microscanning of corrosion current development by microscopy inspection and studying paint adhesion. The best protection was found using halloysite/mercaptobenzimidazole and benzotriazole inhibitors. Stopper formation with urea-formaldehyde copolymer provided an additional increase in corrosion efficiency as a result of the longer release of inhibitors.
Evaluation of the Macroalga, Muskgrass, for the Phytoremediation of Selenium‐Contaminated Agricultural Drainage Water by Microcosms (2002)

Previous field studies suggested that the macroalga, muskgrass (Chara canescens Desv. & Lois), plays an important role in the removal of selenium (Se) from agricultural drainage water. This study evaluated the efficiency of Se removal from drainage water by muskgrass-vegetated wetland microcosms, and determined the extent to which muskgrass removed Se through phytoextraction and biovolatilization. Six flow-through wetland microcosms were continuously supplied with drainage water containing an average Se concentration of 22 microg L(-1) over a 24-d experimental period. The Se mass input and outflow and the rate of Se volatilization were monitored daily for each microcosm. Three microcosms containing muskgrass reduced the daily mass Se input in the inflow drainage water by 72.1%; this compared with a reduction of 50.6% of the mass Se input for three unvegetated control microcosms. Selenium accumulated in muskgrass tissues accounted for 1.9% of the total mass Se input in the microcosm, followed by 0.5% via biological volatilization. The low rates of Se volatilization from selenate-supplied muskgrass, which were 10-fold less than from selenite, were probably due to a major rate limitation in the reduction of selenate to organic forms of Se in muskgrass. This conclusion was derived from X-ray absorption spectroscopy speciation analysis, which showed that muskgrass treated with selenite contained 91% of the total Se in organic forms (selenoethers and diselenides), compared with 47% in muskgrass treated with selenate.
GABA-uptake inhibitors: construction of a general pharmacophore model and successful prediction of a new representative (1991)

A model for the pharmacophore of GABA-uptake inhibitors was established using published structure-activity data and molecular modeling. The model accounted for the activities of different classes of GABA-uptake inhibitors. Analogues of guvacine substituted at position 6 were synthesized in order to confirm the model. 6-(3,3-Di-phenylpropyl)guvacine (30f), which fit well with the pharmacophore, had an in vitro IC50 of 0.1 microM. This value is as good as those of the best GABA-uptake inhibitors known today.
Secretion-and-capture cell-surface display for selection of target-binding proteins (2011)

This report describes a new cell-surface display system, the Secretion and Capture Technology (SECANT™) platform, which relies on in vivo biotinylation of the protein of interest followed by its capture on the avidinated surface of the parent cell. Cell sorting techniques are then used to isolate clones that display target-binding protein. A distinguishing feature of this method is its ability to display complex proteins, such as full-length immunoglobulin G (IgG) antibodies, on living cells. In this proof-of-concept study, Saccharomyces cerevisiae cells that displayed Herceptin IgG were isolated from a 10,000-fold excess of cells that displayed a lysozyme-binding antibody.
Enzymatic Modification of Cellulose To Unlock Its Exploitation in Advanced Materials (2020)

Abstract Nowadays natural biopolymers have a wide variety of uses in various industrial applications, such as food, adhesives and composite materials. Among them, cellulose has attracted the interest of researchers due to its properties: high strength and flexibility, biocompatibility and nontoxicity. Despite that, in many cases its practical use is limited because of poor solubility and/or an unsuitable hydrophilic/hydrophobic balance. In this context, enzymatic modification appears as a powerful strategy to overcome these problems through selective, green and environmentally friendly processes. This minireview discusses the different methods developed for the enzymatic modification of cellulose, emphasizing the type of reaction, the enzymes used (laccases, esterases, lipases, hexokinases, etc.), and the properties and applications of the cellulose derivatives obtained. Considering that cellulose is the most abundant natural polymer on Earth and can be derived from residual lignocellulosic biomass, the impact of its use in bio‐based process following the logic of the circular economy is relevant.
Seeking provenance of information using social media (2013)

Social media propagates breaking news and disinformation alike fast and on an unsurpassed scale. Because of its democratizing nature, social media users can easily produce, receive, and propagate a piece of information without necessarily providing traceable information. Thus, there are no means for a user to verify the provenance (aka sources or originators) of information. The disinformation can cause tragic consequences to society and individuals. This work aims to take advantage of characteristics of social media to provide a solution to the problem of lacking traceable information. Such knowledge can provide additional context to received information such that a user can assess how much value, trust, and validity should be placed in it. In this paper, we are studying a novel research problem that facilitates the seeking of the provenance of information for a few known recipients (less than 1% of the total recipients) by recovering the paths it has taken from its originators. The proposed methodology exploits easily computable node centralities of a large social media network. The experimental results with Facebook and Twitter datasets show that the proposed mechanism is effective in correctly identifying the additional recipients and seeking the provenance of information.
Synthesis, structure and spectroscopic investigations of two new organic-inorganic hybrids NH<sub>3</sub>(C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>NH<sub>3</sub>CuCl<sub>4</sub>and NH<sub>3</sub>(C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>NH<sub>3</sub>HgCl<sub>4</sub> (2010)

Two metal organic-inorganic hybrid compounds, NH3(C6H4)2NH3CuCl4, 1, and NH3(C6H4)2NH3HgCl4, 2, have been synthesized and structurally characterized by single-crystal X-ray diffraction. The two compounds crystallize in the monoclinic space groups P21/c and C2/c, respectively, with a = 14.3774 (7), b = 7.3472 (4), c = 7.1669 (3), β = 96.589 (3)°, Z = 2 and R1 = 0.037 for 1, and a = 6.2986 (4), b = 18.2911 (12), c = 28.5854 (17), β = 91.836 (2)°, Z = 8 and R1 = 0.049 for 2. The organic-inorganic layered perovskite structure of compound 1 features well-ordered sheets of corner-sharing distorted CuCl6 octahedra, due to the presence of Jahn-Teller effect in the d9 electronic system of Cu(II), separated by layers of benzidinium cations. The structure of compound 2 consists of anionic parallel layers built up from discrete tetrahedral HgCl42- species, alternating with layers of organic molecules [NH3(C6H4)2NH3]2+. The structures of the two compounds are stabilized by an extensive network of N-H...C1 hydrogen bonds. These compounds are also investigated by IR spectroscopy.
Role of walking-exercise therapy after stroke (2009)

Stroke commonly leads to reduced mobility, which leads to deconditioning and a worsening of vascular risk factors, such as diabetes. The worsened risk profile leads to further strokes and disability--a vicious cycle for the stroke survivor. Exercise (walking) therapy may break this cycle by providing adequate stimuli for improving gait through plastic adaptation in the brain and through increasing fitness. Randomized, controlled data demonstrate the efficacy for gains in fitness and walking speed, the latter being related to lasting changes in activation patterns of the brainstem and cerebellum. Diabetes and muscle inflammation can also be improved by aerobic exercise training. The scope of this review summarizes these data and identifies unresolved issues related to optimization, intensity and maintenance of therapy effects. Exercise should be an integral part of every rehabilitation program.
Does the type of tibial component affect mechanical alignment in unicompartmental knee replacement? (2013)

Patients who received a metal-backed Onlay tibial component obtained better postoperative mechanical alignment compared to those who received all-polyethylene Inlay prostheses. The thicker overall construct of Onlay prostheses appears to be an important determinant of postoperative alignment. Considering their higher survivorship rates and improved postoperative mechanical alignment, Onlay prostheses should be the first option when performing medial UKR.
Traumatic Pediatric Pneumorachis (2010)

In the pediatric patient presenting with neurologic deficits and pneumorachis, ligamentous injury of the spine, even in the absence of bony injury, should be suspected.
Planar Solid-State and Solution Structures of (Porphinato)nickel(II) As Determined by X-ray Diffraction and Resonance Raman Spectroscopy (1996)

The structure of (porphinato)nickel(II) [Ni(P)] has been determined by X-ray diffraction and inferred from a combination of single-crystal and solution resonance Raman measurements. The crystal structure reveals a planar porphyrin macrocycle with a π−π dimer packing configuration exhibiting a small lateral shift. This group S crystallographic packing arrangement has been suggested to give strong π−π interactions between the porphyrin rings on the basis of the small interplanar spacing (3.355 Å) and lateral shift (1.528 Å) between the porphine planes. Strong π−π interactions are usually associated with geometrically inequivalent structural parameters such as different metal−nitrogen bond distances, but this is not observed for Ni(P). The average nickel−nitrogen bond distance is 1.951 Å, consistent with planar nickel porphyrins. The root-mean-square out-of-plane displacement from the mean plane of the macrocyclic atoms is 0.019 Å, consonant with the observed very slight ruffling of the macrocycle. A salient feature of the resonance Raman spectra of Ni(P) in solution is the apparent sidebands of some structure-sensitive lines. This observation was interpreted previously as resulting from an equilibrium between planar and nonplanar conformers in solution. However, the similarities of the resonance Raman spectra of Ni(P) in the single crystal and in solution suggest that Ni(P) exists only in the planar conformation. This conclusion is corroborated by solution resonance Raman spectra of the four-coordinate (porphinato)copper(II) and (porphinato)cobalt(II), which are more likely than Ni(P) to be planar because of their larger central metals, yet they also show the sidebands of the same structure-sensitive lines. Crystal data: [C20H12N4]Ni; a = 10.1066(7) Å, b = 11.945(9) Å, c = 12.229(2) Å, β = 101.56(3)°, Z = 4, V = 1446.4(11) Å3, space group P21/c; 3084 unique observed data; refinement converged to final values of R1 = 0.039, wR2 = 0.090; all measurements at 127(2) K.
Topography of Diphtheria Toxin's T Domain in the Open Channel State (2000)

When diphtheria toxin encounters a low pH environment, the channel-forming T domain undergoes a poorly understood conformational change that allows for both its own membrane insertion and the translocation of the toxin's catalytic domain across the membrane. From the crystallographic structure of the water-soluble form of diphtheria toxin, a "double dagger" model was proposed in which two transmembrane helical hairpins, TH5-7 and TH8-9, anchor the T domain in the membrane. In this paper, we report the topography of the T domain in the open channel state. This topography was derived from experiments in which either a hexahistidine (H6) tag or biotin moiety was attached at residues that were mutated to cysteines. From the sign of the voltage gating induced by the H6 tag and the accessibility of the biotinylated residues to streptavidin added to the cis or trans side of the membrane, we determined which segments of the T domain are on the cis or trans side of the membrane and, consequently, which segments span the membrane. We find that there are three membrane-spanning segments. Two of them are in the channel-forming piece of the T domain, near its carboxy terminal end, and correspond to one of the proposed "daggers," TH8-9. The other membrane-spanning segment roughly corresponds to only TH5 of the TH5-7 dagger, with the rest of that region lying on or near the cis surface. We also find that, in association with channel formation, the amino terminal third of the T domain, a hydrophilic stretch of approximately 70 residues, is translocated across the membrane to the trans side.
Modeling the estrogen receptor to growth factor receptor signaling switch in human breast cancer cells (2013)

Breast cancer cells develop resistance to endocrine therapies by shifting between estrogen receptor (ER)-regulated and growth factor receptor (GFR)-regulated survival signaling pathways. To study this switch, we propose a mathematical model of crosstalk between these pathways. The model explains why MCF7 sub-clones transfected with HER2 or EGFR show three GFR-distribution patterns, and why the bimodal distribution pattern can be reversibly modulated by estrogen. The model illustrates how transient overexpression of ER activates GFR signaling and promotes estrogen-independent growth. Understanding this survival-signaling switch can help in the design of future therapies to overcome resistance in breast cancer.
Reversible mapping of spin to orbital angular momentum degree of freedom of one photon of an entangled pair (2017)

We demonstrate high fidelity conversion of a polarization-entangled photon pair into a hybrid OAM-polarization entangled pair by using a special multi-mode vortex fiber. A new model accounting for frequency-dependent modal loss fits the data.
A General Organocatalyst for Direct α-Functionalization of Aldehydes:  Stereoselective C−C, C−N, C−F, C−Br, and C−S Bond-Forming Reactions. Scope and Mechanistic Insights (2005)

The development of a general organocatalyst for the alpha-functionalization of aldehydes, via an enamine intermediate, is presented. Based on optically active alpha,alpha-diarylprolinol silyl ethers, the scope and applications of this catalyst for the stereogenic formation of C-C, C-N, C-F, C-Br, and C-S bonds are outlined. The reactions all proceed in good to high yields and with excellent enantioselectivities. Furthermore, we will present mechanistic insight into the reaction course applying nonlinear effect studies, kinetic resolution, and computational investigations leading to an understanding of the properties of the alpha,alpha-diarylprolinol silyl ether catalysts.
Role of botrocetin in platelet agglutination: formation of an activated complex of botrocetin and von Willebrand factor (1989)

Botrocetin (venom coagglutinin) induces binding of von Willebrand factor (vWF) to platelet glycoprotein Ib (GPIb), resulting in platelet agglutination. A mechanism whereby botrocetin causes vWF to change to an active platelet-agglutinating form is proposed. Incubation of native vWF with botrocetin yielded an increasingly active vWF with slower migration in two-dimensional immunoelectrophoresis but with no apparent change in vWF multimer pattern. The "activated" vWF eluted mainly in the void volume (Vo) (Bio-Gel A-15m column chromatography). Botrocetin eluted in the included volume (Vi). Vo peaks appeared to contain a vWF-botrocetin complex, based on bioassays and immunoassays. 125I-Botrocetin mixed with vWF eluted in two peaks: in the Vo, coincident with active vWF, and in the Vi. With von Willebrand disease (vWD) plasma lacking vWF, 125I-Botrocetin eluted in the Vi only. It did not bind to platelets without vWF. In aggregometric studies, antibodies (Ab) against botrocetin, vWF, and GPIb prevented botrocetin-induced platelet agglutination and caused dissolution of preformed platelet agglutinates. Immunostaining of aggregates with antibotrocetin Ab revealed a positive reaction. Botrocetin appears to act in a two-step manner, first binding with vWF to form a complex, which then binds to GPIb to cause agglutination. All three components, vWF, botrocetin, and GPIb, appear to be required for maintenance of stable platelet agglutinates.
Coolant Jets Interaction in Effusion Cooling System: Experimental and Numerical Study (2019)

Abstract The interaction of coolant jets is significant in effusion settings as a result of the short streamwise and spanwise distance between films. This complicates the design of effusion cooling devices because computing the interaction between numerous, closely spaced rows of films is a challenging task. A flat plate effusion cooling model is investigated at both low and high blowing ratios. Pressure sensitive paint (PSP) is used to measure film effectiveness. Computational fluid dynamics (CFD) calculations are performed to examine the cooling flow features in detail. The mesh sensitivity is studied to demonstrate the effect of mesh size on film effectiveness. The solution obtained by coarse mesh may not capture the correct trend with blowing ratio variation. Results of the computational work by fine mesh demonstrate good agreement with the measured effectiveness. Coolant jets interaction is also investigated. The profile of quantities such as velocity, temperature, kinetic energy and Reynolds stress at several locations in the flow field is compared. The boundary layer profiles are scaled by the thermal boundary layer thickness to study the feature of heat transfer. It is observed that profiles of the flow quantities are self-similar. Two distinct scalings are found: an outer scaling based on boundary layer thickness which collapses the upper part of the profiles; an inner scaling which collapses the profiles at distances from the wall comparable to the penetration depth of a single jet. The latter scaling is based on the distance from the wall to the minimum temperature profile. This distance identifies the location of the coolant leaving the effusion cooling device.
Overexpression of apoptosis inducing factor aggravates hypoxic-ischemic brain injury in neonatal mice (2020)

Abstract Apoptosis inducing factor (AIF) has been shown to be a major contributor to neuron loss in the immature brain after hypoxia-ischemia (HI). Indeed, mice bearing a hypomorphic mutation causing reduced AIF expression are protected against neonatal HI. To further investigate the possible molecular mechanisms of this neuroprotection, we generated an AIF knock-in mouse by introduction of a latent transgene coding for flagged AIF protein into the Rosa26 locus, followed by its conditional activation by a ubiquitously expressed Cre recombinase. Such AIF transgenic mice overexpress the pro-apoptotic splice variant of AIF (AIF1) at both the mRNA (5.9 times higher) and protein level (2.4 times higher), but not the brain-specific AIF splice-isoform (AIF2). Excessive AIF did not have any apparent effects on the phenotype or physiological functions of the mice. However, brain injury (both gray and white matter) after neonatal HI was exacerbated in mice overexpressing AIF, coupled to enhanced translocation of mitochondrial AIF to the nucleus as well as enhanced caspase-3 activation in some brain regions, as indicated by immunohistochemistry. Altogether, these findings corroborate earlier studies demonstrating that AIF plays a causal role in neonatal HI brain injury.
Mitochondrially targeted ceramides preferentially promote autophagy, retard cell growth, and induce apoptosis (2010)

C(6)-pyridinium (D-erythro-2-N-[6'-(1''-pyridinium)-hexanoyl]sphingosine bromide [LCL29]) is a cationic mitochondrion-targeting ceramide analog that promotes mitochondrial permeabilization and cancer cell death. In this study, we compared the biological effects of that compound with those of D-erythro-C(6)-ceramide, its non-mitochondrion-targeting analog. In MCF7 cells it was found that C(6)-pyridinium ceramide preferentially promoted autophagosome formation and retarded cell growth more extensively than its uncharged analog. This preferential inhibition of cell growth was also observed in breast epithelial cells and other breast cancer cells. In addition, this compound could promote Bax translocation to mitochondria. This redistribution of Bax in MCF7 cells could be blocked by the pan-caspase inhibitor zVAD-fmk but via a Bid-independent signaling pathway. Moreover, C(6)-pyridinium ceramide-induced translocation of Bax to mitochondria led to mitochondrial permeabilization and cell death. Overall, we show that mitochondrial targeting of C(6)-pyridinium ceramide significantly enhances cellular response to this compound.
Activity of the Alpha-1 Antitrypsin Deficiency Registry in Belgium (2015)

A Belgian alpha-1-antitrypsin (AAT) deficiency registry has been established in 2003. Currently 55 patients are included. At the same time, a working group has been set up for publishing national guidelines. In 2014, several Belgian patients founded Alpha-1 Global. We hope that the integrated activities of all the stakeholders involved in AAT deficiency will permit a high quality care for all patients suffering from this disabling disease.
5GEN: A tool to generate 5G infrastructure graphs (2019)

Ongoing research on 5G is looking into software platforms to evaluate new developments on 5G networks. Some 5G hardware is now starting to be available, but it is scarce and very limited, which makes validation and performance evaluation of 5G quite challenging. Simulation is the tool of choice for most of the cases, but this requires creating large descriptor files representing a 5G network. This brings forward the need for tools that facilitate the generation of 5G networks' topologies. In this paper we present 5GEN, a tool that automatically creates graphs representing 5G networks. With 5GEN, a researcher can simply define the number of resources, and 5GEN will generate the nodes and edges that interconnect them across the infrastructure. The tool has been successfully used to test several 5G network scenarios within the EU 5G-CORAL project.
A wireless passive strain sensor (2011)

This paper introduces a wireless passive sensor concept for measurement of one- and two-dimensional strain and bending. An identification opportunity can easily be added to the sensor element to distinguish between different sensor “tags”. The concept is based on the modulation of the frequency domain backscatter signature of a radar target by the measured value. The target itself is realized as a small resonant metamaterial structure which generates an amplitude peak in the radar cross-section at resonance. The modulation is done by a variation of the capacitive element of the resonator by the measured quantity. Benefits of the presented design are the passive chipless buildup allowing a construction for the operation in harsh (e. g. high temperature) environments, the simple standard, low-cost fabrication process, the small footprint, the identification opportunity, the possibility of a FMCW-radar-based readout and the versatility of possible sensor designs.