gebhart/patrepeval huggingface dataset:
Thermodynamics of Chemical Hydrogen Storage: Are Sterically Hindered and Overcrowded Molecules More Effective? (2023)

Homocyclic aromatics with different degrees of alkylation have been investigated so far as Liquid Organic Hydrogen Carriers (LOHC). A low enthalpy of reaction for the dehydrogenation reaction is generally considered beneficial. Values available for crowded, multi-alkylated aromatics, such as hexamethyl benzene, indicate that these substances could be utilized efficiently as LOHCs. However, no clear trend can be identified in the existing data. The aim of this study is to provide a consistent and comprehensive data set on this substance class to evaluate if multi-alkylation is indeed beneficial. For this purpose, own and literature results from experimental methods such as combustion calorimetry and the transpiration method for measuring the enthalpy of vaporisation were combined with quantum chemical approaches to obtain a validated, consistent data set. This comprehensive study reveals that the positive effect on enthalpy of reaction for dehydrogenation is comparatively weak. A slightly lower enthalpy of reaction is actually observed for crowded alkylbenzenes, but it is most likely not sufficient to reach a significant decrease in temperature for hydrogen release. Nevertheless, the results are of high importance for the further development of LOHC systems with optimal structural motifs.
Uveal Melanoma: The Inflammatory Microenvironment (2012)

Uveal melanoma is a highly malignant intraocular tumor with quite homogeneous tumor tissue and a diffuse leukocytic infiltration. In contrast with many other malignancies, the presence of infiltrating macrophages and T cells is associated with a poor prognosis rather than a good one. The clear link between inflammation and cancer in this malignancy provides a paradigm for macrophage plasticity and function. Macrophages in uveal melanoma have an M2-like phenotype and are associated with the loss of one specific chromosome - monosomy 3. The central players involved in this process and discussed in this review include macrophages, T lymphocytes, chemokines and cytokines, including the macrophage-attraction molecules. When a tumor acquires the ability to release significant amounts of macrophage-attraction molecules it causes the expansion of a population of myeloid immature cells that may not only help the tumor to suppress immune reactions but also aid in the construction of new blood vessels for tumor growth. A better understanding of the molecular basis of a local myelomonocytic cell population will bring a better understanding of the immunopathology of this disease and will lead to therapeutic interventions in uveal melanoma. This review focuses on the roles of the local inflammatory microenvironment in the development and progression of uveal melanoma.
Testing for improvement in prediction model performance (2013)

Authors have proposed new methodology in recent years for evaluating the improvement in prediction performance gained by adding a new predictor, Y, to a risk model containing a set of baseline predictors, X, for a binary outcome D. We prove theoretically that null hypotheses concerning no improvement in performance are equivalent to the simple null hypothesis that Y is not a risk factor when controlling for X, H0 : P(D = 1 | X,Y ) = P(D = 1 | X). Therefore, testing for improvement in prediction performance is redundant if Y has already been shown to be a risk factor. We also investigate properties of tests through simulation studies, focusing on the change in the area under the ROC curve (AUC). An unexpected finding is that standard testing procedures that do not adjust for variability in estimated regression coefficients are extremely conservative. This may explain why the AUC is widely considered insensitive to improvements in prediction performance and suggests that the problem of insensitivity has to do with use of invalid procedures for inference rather than with the measure itself. To avoid redundant testing and use of potentially problematic methods for inference, we recommend that hypothesis testing for no improvement be limited to evaluation of Y as a risk factor, for which methods are well developed and widely available. Analyses of measures of prediction performance should focus on estimation rather than on testing for no improvement in performance.
Tuning the Luminescence of Metal–Organic Frameworks for Detection of Energetic Heterocyclic Compounds (2014)

Herein we report three metal-organic frameworks (MOFs), TABD-MOF-1, -2, and -3, constructed from Mg(2+), Ni(2+), and Co(2+), respectively, and deprotonated 4,4'-((Z,Z)-1,4-diphenylbuta-1,3-diene-1,4-diyl)dibenzoic acid (TABD-COOH). The fluorescence of these three MOFs is tuned from highly emissive to completely nonemissive via ligand-to-metal charge transfer by rational alteration of the metal ion. Through competitive coordination substitution, the organic linkers in the TABD-MOFs are released and subsequently reassemble to form emissive aggregates due to aggregation-induced emission. This enables highly sensitive and selective detection of explosives such as five-membered-ring energetic heterocyclic compounds in a few seconds with low detection limits through emission shift and/or turn-on. Remarkably, the cobalt-based MOF can selectively sense the powerful explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazole-3-one with high sensitivity discernible by the naked eye (detection limit = 6.5 ng on a 1 cm(2) testing strip) and parts per billion-scale sensitivity by spectroscopy via pronounced fluorescence emission.
Innovative PLA Bead Foam Technology (2016)

Among plastic foaming technologies, extrusion foaming has generally been 
known to obtain low-density foam products with simple geometry. On the 
other hand, foam injection molding has been implemented to manufacture 
high-density foam products with three-dimensional geometries. Bead foaming is another means of foam manufacturing to produce low-density foam 
products with complex three-dimensional geometries. In this method, lowdensity bead foams are molded into the desired final foam product shape [1].
Cutaneous Necrosis Due to Norepinephrine (1958)

Close, A. Stephex M.D.; Frackfxton, William H. M.D.; Kory, Ross C. M.D. Author Information
Generalized polarimetric model-based decompositions using extended incoherent scattering models (2012)

The Freeman and Durden decomposition as original developed is based on three scattering models for volume, surface and double bounce. It is known that the decomposition produces negative scattering powers for a large number of pixels. This implies that the scattering models are inconsistent with the data. In this paper, we investigate the negative power problem and propose two algorithms to mitigate it. To achieve this, alternative scattering models have been adopted, and new families of incoherent scattering models are developed. The effectiveness of these approaches is compared using L-band E-SAR polarimetric data. It will be shown that the negative power problem can be reduced to an insignificant level.
EXTRACTION OP BERKELIUM (IV) BY NEUTRAL ORGANOPHOSPHORUS COMPOUNDS AND HIGH MOLECULAR WEIGHT AMINES (1984)

Abstract The extraction behaviour of berkelium (IV) from inorganic acid solutions using neutral organophosphorus compounds and high molecular weight amines was studied. Distribution coefficients as a function of the nature and concentration of acid, extractant, organic solvent and oxidant were examined. The stoichiometry of Bk(IV) extraction has been studied and the composition of the extracted species have been determined. The data obtained allowed us to work out the extraction methods of separation and purification of berkelium from TPE, rare earths and several fission products using neutral organophosphorus compounds and high molecular weight amines.
Overexpression of 5-Lipoxygenase in Colon Polyps and Cancer and the Effect of 5-LOX Inhibitors In vitro and in a Murine Model (2008)

This study showed that 5-LOX is up-regulated in adenomatous colon polyps and cancer compared with normal colonic mucosa. The blockade of 5-LOX inhibits colon cancer cell proliferation both in vitro and in vivo and may prove a beneficial chemopreventive therapy in colon cancer.
Controller HIL testing of real-time distributed frequency control for future power systems (2016)

With the evolution of power system components and structures driven mainly by renewable energy technologies, reliability of the network could be compromised with traditional control methodologies. Therefore, it is crucial to thoroughly validate and test future power system control concepts before deployment. In this paper, a Controller Hardware in the Loop (CHIL) simulation for a real-time distributed control algorithm concept developed within the ELECTRA IRP project is performed. CHIL allows exploration of many real-world issues such as noise, randomness of event timings, and hardware design issues that are often not present on a simulation-only system. Octave has been used as the programming language of the controller in order to facilitate the transition between software simulation and real-time control testing. The distributed controller achieved frequency restoration with a collaborative response between different controllers very fast after the unbalanced area is located.
Preparation and Characterization of Porous Scaffolds Based on Poly(3-hydroxybutyrate) and Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (2021)

Poly(hydroxyalkanoates) (PHAs) with different material properties, namely, the homopolymer poly(3-hydroxybutyrate), P(3HB), and the copolymer poly(3-hydroxybutyrate-<i>co</i>-3-hydroxyvalerate, P(3HB-<i>co</i>-3HV), with a 3HV of 25 wt.%, were used for the preparation of porous biopolymeric scaffolds. Solvent casting with particulate leaching (SCPL) and emulsion templating were evaluated to process these biopolymers in porous scaffolds. SCPL scaffolds were highly hydrophilic (>170% swelling in water) but fragile, probably due to the increase of the polymer's polydispersity index and its high porosity (>50%). In contrast, the emulsion templating technique resulted in scaffolds with a good compromise between porosity (27-49% porosity) and hydrophilicity (>30% water swelling) and without impairing their mechanical properties (3.18-3.35 MPa tensile strength and 0.07-0.11 MPa Young's Modulus). These specifications are in the same range compared to other polymer-based scaffolds developed for tissue engineering. P(3HB-<i>co</i>-3HV) displayed the best overall properties, namely, lower crystallinity (11.3%) and higher flexibility (14.8% elongation at break. Our findings highlight the potency of our natural biopolyesters for the future development of novel porous scaffolds in tissue engineering, thanks also to their safety and biodegradability.
Enzymological Characterization of 64Cu-Labeled Neprilysin Substrates and Their Application for Modulating the Renal Clearance of Targeted Radiopharmaceuticals (2023)

The applicability of radioligands for targeted endoradionuclide therapy is limited due to radiation-induced toxicity to healthy tissues, in particular to the kidneys as primary organs of elimination. The targeting of enzymes of the renal brush border membrane by cleavable linkers that permit the formation of fast eliminating radionuclide-carrying cleavage fragments gains increasing interest. Herein, we synthesized a small library of <sup>64</sup>Cu-labeled cleavable linkers and quantified their substrate potentials toward neprilysin (NEP), a highly abundant peptidase at the renal brush border membrane. This allowed for the derivation of structure-activity relationships, and selected cleavable linkers were attached to the somatostatin receptor subtype 2 ligand [Tyr<sup>3</sup>]octreotate. Radiopharmacological characterization revealed that a substrate-based targeting of NEP in the kidneys with small peptides entails their premature cleavage in the blood circulation by soluble and endothelium-derived NEP. However, for a kidney-specific targeting of NEP, the additional targeting of albumin in the blood is highlighted.
Modeling of solid-side mass transfer in desiccant particle beds (1984)

A model is proposed for heat and mass transfer in a packed bed of desiccant particles and accounts for both Knudsen and surface diffusion within the particles. Using the model, predictions are made for the response of thin beds of silica gel particles to a step change in air inlet conditions compared to mental results. The predictions are found to be satisfactory and, in general, superior to those of pseudogas-side controlled models commonly used for the design of desiccant dehumidifiers for solar air conditioning application.
Proposal of leak path passivation for InGaN solar cells to reduce the leakage current (2016)

We propose some general ways to passivate the leak paths in InGaN solar cells and report some experimental evidences of its effectiveness. By adopting an AlOx passivation process, the photovoltaic performances of GaN pn-junctions and InGaN solar cells, grown by molecular beam epitaxy, have been significantly improved. The open circuit voltage under 1 sun illumination increases from 1.46 to 2.26 V for a GaN pn junction, and from 0.95 to 1.27 V for an InGaN solar cell, demonstrating evidence of leak path passivation (LPP) by AlOx. The proposed LPP is expected to be a realistic way to exploit the potential of thick and relaxed but defective InGaN for solar cell applications.
Recent Progress in Asymmetric Catalysis Using Chiral Carbohydrate‐Based Ligands. (2007)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Copper‐Catalyzed Perfluoroalkylthiolation of Alkynes with Perfluoroalkanesulfenamides (2016)

Copper-catalyzed direct perfluoroalkylthiolation of alkynes by using the corresponding perfluoroalkanesulfenamide reagent is reported. The selective mono- and bis-perfluoroalkylthiolation of alkynes can be conducted under very mild conditions (no base, room temperature) in very good to excellent yields. This approach, which uses a low toxicity, inexpensive copper catalyst that incorporates a commercially available ligand, is applied in the absence of any additional base. Preliminary mechanistic investigations shed some light on the nature of the unprecedented reactivity observed.
Rb functions to inhibit apoptosis during myocyte differentiation. (1997)

During in vitro myogenesis, a portion of myoblasts undergo apoptosis, whereas others continue with their differentiation program and form myotubes that are resistant to cell death. Previous work has shown that the expression of the Cdk inhibitor p21 correlates with enhanced resistance to apoptosis and that forced expression of p21 will confer this phenotype on differentiating myocytes. Here we examine the role of the retinoblastoma gene (Rb) in myocyte survival. Compared with wild-type myocytes, CC42 (Rb-/-) myocytes undergo higher frequencies of apoptosis during mitogen deprivation-induced myogenesis. Despite these features, Rb-/- myocytes display normal up-regulation of p21 and down-regulation of Cdk activities upon differentiation. Adenoviral constructs expressing the Cdk inhibitors p21 or p16 inhibit apoptosis in wild-type but not Rb-/- myocyte cultures. On the other hand, a Rb-expressing adenoviral construct inhibited apoptosis in both cell types. These data demonstrate that Rb functions downstream from the Cdk inhibitors to coordinate cell cycle withdrawal with programmed cell death during myocyte differentiation.
High-quality, 2-inch-diameter m-plane GaN substrates grown by hydride vapor phase epitaxy on acidic ammonothermal seeds (2016)

Abstract In this paper, we discusse the origin of basal-plane stacking faults (BSFs) generated in the homoepitaxial hydride vapor phase epitaxy (HVPE) growth of m -plane gallium nitride (GaN). We investigated the effects of seed quality, especially dislocation density, on BSF generation during homoepitaxy. The results clearly identify basal-plane dislocation in the seed as a cause of BSF generation. We realized high-quality m -plane GaN substrates with a 2-in. diameter using HVPE on low-dislocation-density m -plane seeds.
IgA-Gliadin antibodies, IgA-containing circulating immune complexes, and IgA glomerular deposits in wasting marmoset syndrome (1999)

There are several parallels between the human disorders (coeliac disease and IgA-nephropathy/Berger's disease) and the changes observed in WMS. It should be further investigated if WMS in marmosets is a suitable animal model for both human diseases.
A hypodermic needle PO2 electrode (1980)

Several glass-covered gold wires (5-10 micrometer diam) connected to an insulated lead wire are embedded with epoxy inside a stainless steel needle (e.g., 25 gauge). The epoxy, glass, and gold wire are carefully ground off down to the bevel of the needle, and the gold wires recessed electrolytically using NaCN. Oxygen tension (PO2) is measured polarographically, usually using a separate Ag-Agcl reference electrode. However, the stainless steel needle, connected to the shield of the coaxial lead, can also be used as the reference. The PO2 electrode shows little or no stir sensitivity and has a response time (to 100%) of 1-2 s.
Filamentous Crystallization of Cholesterol and Its Dependence on Lecithin Species in Bile (1994)

Abstract Cholesterol crystallization is a poorly understood obligatory step in cholesterol gallstone formation. We have studied early stages of cholesterol crystallization in a model bile system composed of an aqueous solution of taurocholate/cholesterol/lecithin (97.5/1.7/0.8 moles%). Nucleation of cholesterol crystals was induced by dilution of a micellar solution to achieve supersaturation. Following spontaneous vesicle formation, thin filamentous structures were observed by electron and light microscopy. The filaments were composed of a core of >95% cholesterol and a surface layer of < 5% lecithin, which was preferentially enriched in hydrophobic molecular species. The filaments had a buoyant density of 1.03 g/ml, and revealed an x-ray diffraction pattern compatible with crystalline cholesterol monohydrate with an additional Bragg reflection at 4.9Å, suggesting a polymorph of cholesterol monohydrate, or early anhydrous crystallization. The filaments grew and transformed via intermediate spiral, helical and tubular microstructures to become classical plate-like cholesterol monohydrate crystals with a density of 1.045g/ml. The crystallization sequence was markedly influenced by substituting the natural lecithin species with unphysiologic synthetic species, and by incorporation of hydrophobic sterols into the model bile. These findings suggest that crystalline cholesterol in bile may not be completely mature or hydrated initially, but following nucleation undergoes a series of transformations to become thermodynamically stable monohydrate plates. The crystallization process is influenced and possibly controlled by a surface layer of biliary lecithins adsorbed by hydrophobic interactions.
Sequence dependence of cross-hybridization on short oligo microarrays (2005)

One of the critical problems in the short oligo microarray technology is how to deal with cross-hybridization that produces spurious data. Little is known about the details of cross-hybridization effect at molecular level. Here, we report a free energy analysis of cross-hybridization on short oligo microarrays using data from a spike-in study. Our analysis revealed that cross-hybridization on the arrays is mostly caused by oligo fragments with a run of 10-16 nt complementary to the probes. Mismatches were estimated to be energetically much more costly in cross-hybridization than that in gene-specific hybridization, implying that the sources of cross-hybridization must be very different between a PM-MM probe pair. Consequently, it is unreliable to use MM probe signal to track cross-hybridizing signal on a corresponding PM probe. Our results also showed that the oligo fragments tend to bind to the 5' ends of the probes, and are rarely seen at the 3' ends. These results are useful for microarray design and data analysis.
Delivery and Toxicity of Ruthenium Pyridine-based Nanophotoswitches in Retina (2018)

Purpose : Nanophotoswitches (NPSs) offer a new tool for optical stimulation of neuronal activity, in vitro and potentially in vivo. Our group previously reported a ruthenium bipyridine (Rubpy)-based NPS (Rubpy-C17) that, after injection into the eyes of photoreceptor degenerated blind rats, elicited electrical activity in the contralateral superior colliculus upon light illumination. We wish to optimize delivery, efficacy and biosafety of the NPSs; our preliminary experiments examining the Rubpy complexes in vivo suggest low acute toxicity. Intravitreal delivery of the Rubpy-C17 complexes has been shown to restore light response recorded from the superior colliculus of the photoreceptor degenerate RCS rats 1 day after the injection. The restored light response was largely preserved 3 days after the injection, suggesting that the Rubpy-C17 complexes are well tolerated by the retinal neurons during the test period.&#13;\n&#13;\nMethods : Promising NPSs molecules absorb and can be visualized by their luminescence upon visible wavelength illumination. This enables us to evaluate the toxicity of the NPSs using an array of in vitro, in vivo and ex vivo tests, including in vitro electrochemical and spectroscopic studies to determine DNA binding and DNA intercalation. In addition, the NPSs were embedded in polymer matrices and the emission monitored to determine the rate of release upon injection into the eye.&#13;\n&#13;\nResults : Preliminary data show that young zebrafish tolerate injection of up to 100 uM Rubpy-C17 into the eye, with complete disappearance of the Rubpy-C17 emission from the eye within a day. Interestingly, blue-green emission appears in the liver region as the orange-red emission of Rubpy-C17 decreases. As this may be a result of metabolism of the Rubpy-C17, we extracted the blue-green emitting molecule for characterization. Initial studies of slow-release drug delivery system and conditions indicate some success with polyethyleneglycol-poly(lactic-co-glycolic acid)-poly-L-lysine (PEG-PLGA-PEG) and polycaprolactone (PCL) polymers.&#13;\n&#13;\nConclusions : Our data suggest that NPSs dissolved in a DMSO solution and intravitreally administered remain stable and active in the ocular environment up to at least one day post injection, which can be extended when coadministered with certain polymer mixtures. The DNA binding and DNA intercalation studies, in combination with the extended release polymers, address toxicity concerns of the NPSs in the eye.
Effect of procalcitonin-guided antibiotic treatment on clinical outcomes in intensive care unit patients with infection and sepsis patients: a patient-level meta-analysis of randomized trials (2018)

Procalcitonin-guided antibiotic treatment in ICU patients with infection and sepsis patients results in improved survival and lower antibiotic treatment duration.