gebhart/patrepeval huggingface dataset:
Frustrated Flexibility in Metal-Organic Frameworks (2020)

Stimuli-responsive flexible metal-organic frameworks (MOFs) remain at the forefront of porous materials research due to their enormous potential for various technological applications. Here, we introduce the concept of frustrated flexibility in MOFs, which arises from an incompatibility of intra-framework dispersion forces with the geometrical constraints of the inorganic building units. Controlled by appropriate linker functionalization with dispersion energy donating alkoxy groups, this approach results in a series of MOFs exhibiting a new type of guest- and temperature-responsive structural flexibility characterized by reversible loss and recovery of crystalline order under full retention of framework connectivity and topology. The stimuli-dependent phase change of the frustrated MOFs involves non-correlated deformations of their inorganic building unit, as probed by a combination of global and local structure techniques together with computer simulations. Frustrated flexibility may be a common phenomenon in MOF structures, which are commonly regarded as rigid, and thus may be of crucial importance for the performance of these materials in various applications.
Fibre optics in the SMOS mission (2017)

Launched on November 2<sup>nd</sup>, 2009, SMOS (Soil Moisture, Ocean Salinity) is the second Earth Explorer Opportunity mission developed as part of ESA’s Living Planet Programme. It demonstrates a completely new type of instrument – a large, deployable synthetic-aperture microwave radiometer [1]. RUAG Space, Switzerland, as a subcontractor of EADS Astrium, Spain, has provided the instrument’s fibreoptic harness, which interconnects the central data processor with all 69 microwave receivers, as well as 12 auxiliary units on board. For reasons explained in Section 3, SMOS is the first European mission extensively using both fibre-optic clock distribution and data transmission in space. In Section 2, we present an overview of the scientific goals of SMOS, and describe the payload’s basic function. There from we derive the rationale and the design of the fibre-optic harness (Section 3). In Section 4 all development, manufacturing, and test activities are summarised, which culminated in the successful delivery of all flight units to EADS Astrium by October 2006. We present the major test results obtained with the flight harness (Section 5), and conclude with a short summary of the higher-level activities, which lead to successful launch and commissioning of the SMOS satellite (Section 6).
Unsupervised Cross-Domain Prerequisite Chain Learning using Variational Graph Autoencoders (2021)

Learning prerequisite chains is an essential task for efficiently acquiring knowledge in both known and unknown domains. For example, one may be an expert in the natural language processing (NLP) domain but want to determine the best order to learn new concepts in an unfamiliar Computer Vision domain (CV). Both domains share some common concepts, such as machine learning basics and deep learning models. In this paper, we propose unsupervised cross-domain concept prerequisite chain learning using an optimized variational graph autoencoder. Our model learns to transfer concept prerequisite relations from an information-rich domain (source domain) to an information-poor domain (target domain), substantially surpassing other baseline models. Also, we expand an existing dataset by introducing two new domains: CV and Bioinformatics (BIO). The annotated data and resources, as well as the code, will be made publicly available.
Discovery of Novel Indazole Derivatives as Highly Potent and Selective Human β<sub>3</sub>-Adrenergic Receptor Agonists with the Possibility of Having No Cardiovascular Side Effects (2015)

Novel indazole derivatives were prepared and evaluated for their biological activity and cardiovascular safety profile as human β3-adrenergic receptor (AR) agonists. Although the initial hit compound 5 exhibited significant β3-AR agonistic activity (EC50 = 21 nM), it also exhibited agonistic activity at the α1A-AR (EC50 = 219 nM, selectivity: α1A/β3 = 10-fold). The major metabolite of 5, which was an oxidative product at the indazole 3-methyl moiety, gave a clue to a strategy for improvement of the selectivity for β3-AR agonistic activity versus α1A-AR agonistic activity. Thus, modification of the 3-substituent of the indazole moiety effectively improved the selectivity to develop compound 11 with potent β3-AR agonistic activity (EC50 = 13 nM) and high selectivity (α1A/β3 = >769-fold). Compound 11 was also inactive toward β1 and β2-ARs and showed dose dependent β3-AR mediated relaxation of marmoset urinary bladder smooth muscle, while it did not obviously affect heart rate or blood pressure (iv, 3 mg/kg) in anesthetized rats.
Fluid flow modeling of resin transfer molding for composite material wind turbine blade structures. (2004)

Resin transfer molding (RTM) is a closed mold process for making composite materials. It has the potential to produce parts more cost effectively than hand lay-up or other methods. However, fluid flow tends to be unpredictable and parts the size of a wind turbine blade are difficult to engineer without some predictive method for resin flow. There were five goals of this study. The first was to determine permeabilities for three fabrics commonly used for RTM over a useful range of fiber volume fractions. Next, relations to estimate permeabilities in mixed fabric lay-ups were evaluated. Flow in blade substructures was analyzed and compared to predictions. Flow in a full-scale blade was predicted and substructure results were used to validate the accuracy of a full-scale blade prediction.
Sub-Nyquist Interferometry: Results And Implementation Issues (1990)

Phase-shifting interferometry (PSI) is the generally accepted technique for data acquisition and computer analysis of interferometric patterns. General purpose instruments that use this technique for the measurement of spheres and flats are available from a number of vendors. Recent improvements in the fabrication of aspheric surfaces have led to interest in a similar instrument for the measurement of aspheric surfaces. This instrument must be able to measure large departures from a reference surface, which is a limitation of PSI. Sub-Nyquist interferometry (SNI) extends the range of PSI by using a priori knowledge of the test surface. This paper will review SNI, discuss its hardware implementation, and give the results of preliminary wavefront analysis.
SnET2 for the treatment of vascular disease: dose/response study in New Zealand white (NZW) rabbits (1995)

Tin ethyl etiopurpurin, SnET2, is presently undergoing clinical trials for the treatment of cutaneous cancers and AIDS related Kaposi's sarcoma. Extensive pre-clinical work has been performed investigating the uptake, localization, and retention of SnET2 in catheter induced atheromatous plaques in New Zealand White (NZW) rabbits and juvenile female swine. The ultimate goal is to employ SnET2 for the prevention of intimal hyperplasia following various forms of angioplasty, thus enabling the prevention of a significant cause of restenosis. To that end, a dose/response study was undertaken to investigate the effect of varying total light dose (200, 100, and 50 J/cm<SUP>2</SUP>) and light dose rate (637, 318, 159 mW/cm<SUP>2</SUP>) during SnET2-Photodynamic Therapy, SnET2-PDT, of catheter induced plaque in a NZW rabbit iliac artery model. The SnET2 dose was held constant at 1.0 mg/kg b.w. and light was delivered intraluminally via a guidewire compatible light diffusing balloon catheter. The greatest light dose of those tested without inducing thermal damage was found to be 318 mW/cm<SUP>2</SUP> while the total light dose of 50 J/cm<SUP>2</SUP> produced PDT effect which was limited to the neo-intima. A relatively substantial total light dose of 200 J/cm<SUP>2</SUP> was shown to produce a transmural PDT effect. This study demonstrated that the depth of PDT effect can be modulated by varying the total light dose.
ESSENTIAL ROLE OF SURFACE HYDROXYLS FOR THE STABILIZATION AND CATALYTIC ACTIVITY OF TiO2-SUPPORTED GOLD NANOPARTICLES (2009)

We report the investigation of titania supported gold catalysts prepared by magnetron sputtering. Catalysts grown on natural fumed titania were structurally unstable resulting in the rapid coarsening of 2.3 nm gold clusters into large ~20 nm gold clusters in a few days at room temperature under normal atmospheric conditions. However, treating the titania support powder to a mock-deposition-precipitation process, at pH 4 or pH 10, followed by the subsequent deposition of gold onto this treated powder produced a remarkable enhancement in gold particle stability and a 20-40 fold enhancement of catalytic activity respectively. This enhancement can not be attributed to the formation of oxygen vacancies on the TiO2 surface. Instead, it appears to be associated with the formation of strongly bound hydroxyl species on the TiO2 surface. The formation of surface hydroxyls during the deposition-precipitation method is coincidental and contributes significantly to the properties of Au/TiO2 catalysts.
An<i>in situ</i>real-time x-ray diffraction study of phase segregation in Au–Pt nanoparticles (2009)

In situ real-time x-ray diffraction was used to study phase segregation and coarsening of Au-Pt nanoparticles supported on silica powder, and porous alumina membranes. Contrary to the expectations from the bulk phase diagram, silica supported Au-Pt nanoparticles have an alloyed structure that is preserved even after extensive annealing at temperatures as high at 700 degrees C. In stark contrast, alumina supported Au-Pt nanoparticles exhibit a rich phase behaviour that is sensitive to alloy composition and the details of the synthesis process. In particular, low-density as-prepared Au(41)Pt(59) nanoparticles exhibit the signature of incipient phase segregation that develops into full phase separation during annealing at high temperature.
Dextran-coated magnetic nanoclusters as highly sensitive contrast agents for magnetic resonance imaging of inflammatory macrophages (2011)

We fabricated dextran-coated magnetic nanoclusters (Dex-MNCs) for targeted magnetic resonance (MR) imaging of inflammatory macrophages. Dex-MNCs were prepared through encapsulation of hydrophobic magnetic nanocrystals (MNCs) by pyrenyl dextran in order that MNCs could achieve increased colloidal stability in aqueous phase as well as strongly interact with macrophages. Dex-MNCs exhibited biocompatibility and sufficient targeting efficiency against macrophages with strengthened MR contrast effect from in vitro/in vivo studies. Considering these results, we confirmed that Dex-MNCs could accurately detect inflammatory macrophagevia MR imaging.
Exponential martingales and Wald's formulas for two-queue networks (1986)

An exponential martingale is defined for a class of random walks in the positive quarter lattice which are associated with a wide variety of Markovian two-queue networks. Balance formulas generalizing Wald's exponential identity are derived from the regularity of several types of hitting times with respect to this martingale. In a queuing context, these formulas can be interpreted as functional relations of practical interest between the number of customers at certain epochs and the utilization of the queues up to these epochs.
PWM inverters for stand-alone single-phase high quality power generation (2007)

Nowadays, environmental issues are of most concern. Conventional solutions that use lead acid batteries and diesel engines as sources of energy for both uninterruptible power supply and isolated power generation systems are facing an increasing opposition due to environmental and economical concerns. To face these issues, alternative sources of electric energy have been studied in the last few years. Systems that use fuel cells as electric energy sources are environmentally safe and very efficient. This kind of systems can be used for a great number of applications such as in the power generation to feed isolated single-phase electric loads. In this work, a system for a stand-alone single-phase high quality power generation is presented. The system is based on a fuel cell system as a source of electrical energy. The output voltage of this system is a DC voltage, which is then applied to the input of a DC/AC power converter that uses a suitable PWM control technique, able to generate an AC output voltage. A step-up transformer increases the AC output voltage to an appropriate RMS value and a passive AC filter is used in order to supply the loads with high quality power. The presented results correspond to the system simulation in Matlab/Simulink platform, using the SimPowerSystems toolbox, for different kinds of loads with high quality energy standards.
Porous yttria‐Stabilized Zirconia Ceramics Fabricated by Nonaqueous‐Based Gelcasting Process with <scp>PMMA</scp> Microsphere as Pore‐Forming Agent (2012)

Porous yttria‐stabilized zirconia ( YSZ ) ceramics were fabricated using tert‐butyl alcohol ( TBA )‐based gelcasting with monodisperse polymethylmethacrylate ( PMMA ) microspheres as both pore‐forming agent and lubricant agent. The TBA ‐based slurry of 50 vol% solid loading with excellent rheological properties appropriate for casting was successfully prepared by using a commercial polymer dispersant DISPERBYK ‐163 as both dispersant and stabilizer. The distribution of the spherical pores made from PMMA microspheres was very homogeneous. Their average diameter decreased from 16.9 to 15.7 μm when the sintering temperature was increased from 1350°C to 1550°C. The compressive strength increased from 14.57 to 142.29 MPa and the thermal conductivity changed from 0.17 to 0.65 W/m·K when the porosity decreased from 71.6% to 45.1%. The results show that this preparation technology can make all the main factors controllable, such as the porosity, the size and shape of pores, the distribution of pores, and the thickness and density of pore walls. This is significant for fabricating porous ceramics with both high compressive strength and low thermal conductivity.
Controlled adaptive equalization for dual-polarization coherent receivers with simple clock recovery (2008)

We present a novel controlled adaptive equalization scheme for dual-polarization coherent receivers and demonstrate data asynchronous operation that ultimately allows for simple clock recovery implementation.
A Risk Taking Routing Algorithm for Delay Tolerant Networks (2013)

Delay Tolerant Networks (DTNs) suffer from frequent disruptions and partitioning. Because of dynamic environment and lack of knowledge about the whole network topology, routing is quiet challenging in DTNs. Prediction based algorithms in DTNs are able to predict nodes future contacts in the case where each node has a movement model. In this paper we are going to propose a risk taking routing algorithm, which differs from previous algorithms in predicting the future contacts and waiting for those nodes instead of forwarding to the currently in contact good forwarders. Considering the forwarding strategy as an online problem, we evaluate the algorithm using a risk reward competitive analysis. Simulation results show that our algorithm performs much better than PROPHET which is a base to our algorithm. The results also show that the optimum risk value is 2 which results in best performance.
Sialic Acid 4‐<i>N</i>‐Piperazine and Piperidine Derivatives Bind with High Affinity to the <i>P. mirabilis</i> Sialic Acid Sodium Solute Symporter (2022)

In search for novel antibacterial compounds, bacterial sialic acid uptake inhibition represents a promising strategy. Sialic acid plays a critical role for growth and colonisation of several pathogenic bacteria, and its uptake inhibition in bacteria was recently demonstrated to be a viable strategy by targeting the SiaT sodium solute symporters from Proteus mirabilis and Staphylococcus aureus. Here we report the design, synthesis and evaluation of potential sialic acid uptake inhibitors bearing 4-N-piperidine and piperazine moieties. The 4-N-derivatives were obtained via 4-N-functionalization with piperidine and piperazine nucleophiles in an efficient direct substitution of the 4-O-acetate of Neu5Ac. Evaluation for binding to bacterial transport proteins with nanoDSF and ITC revealed compounds possessing nanomolar affinity for the P. mirabilis SiaT symporter. Computational analyses indicate the engagement of a previously untargeted portion of the binding site.
Active Middle Ear Implant Application in Case of Stapes Fixation (2010)

Driving the oval window with an AMEI in a scenario of stapes fixation was demonstrated to be feasible, with performance comparable to traditional AMEI coupling to the incus or stapes. These possibilities offer new perspectives to treat mixed hearing loss in case of fixed footplate.
Purification and properties of bacterially synthesized human granulocyte-macrophage colony stimulating factor (1987)

Human granulocyte-macrophage colony stimulating factor (GM-CSF) has been synthesized in high yield using a temperature inducible plasmid in Escherichia coli. The human GM-CSF is readily isolated from the bacterial proteins because of its differential solubility and chromatographic properties. The bacterially synthesized form of the human GM-CSF contains an extra methionine residue at position 1, but otherwise it is identical to the polypeptide predicted from the cDNA sequence. The specific activity of 2.9 X 10(7) units/mg of protein for purified bacterially synthesized human GM-CSF indicates that despite the lack of glycosylation, the molecule is substantially in its native conformation. This molecule stimulated the same number and type of both seven- and 14-day human bone marrow colonies as the CSF alpha preparation from human placental conditioned medium. Human GM-CSF had no activity on murine bone marrow or murine leukemic cells. There was no detectable, direct stimulation of adult human erythroid burst forming units (BFU-E) by the bacterially synthesized human GM-CSF. Although impure preparations containing native human GM-CSF (eg, human placental conditioned medium) stimulated the formation of mixed colonies, even in the presence of erythropoietin, the bacterially synthesized human GM-CSF failed to stimulate the formation of mixed colonies from adult human bone marrow cells. The bacterially synthesized human GM-CSF increased N-formyl-methionyl-leucyl- phenylalanine (FMLP)-induced superoxide production and lysozyme secretion. Antibody-dependent cytotoxicity and phagocytosis by human neutrophils was stimulated by the bacterially synthesized human GM-CSF and eosinophils were also activated in the antibody-dependent cytotoxicity assay.
The Methoxyallene Approach to Oxacycles, Part 2: Stereoselective Synthesis of 2,3-Disubstituted Oxepanes (2005)

2,3-Disubstituted oxepanes 3 and 4 were stereoselectively synthesized from methoxyallene (1) and iodide 2. The trans stereochemistry of diol 3 was established by NMR studies of the bicyclic precursor 10, while the cis stereochemistry of 4 was secured by using the highly diastereoselective reducing agent l-Selectride.
ChemInform Abstract: Size‐Selective Photocatalytic Reactions by Titanium(IV) Oxide Coated with a Hollow Silica Shell in Aqueous Solutions. (2008)

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 of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Endothelium-dependent vasodilation is associated with exercise capacity in smokers and non-smokers (2010)

Smoking is an established cardiovascular risk factor that impairs endothelial function and reduces exercise capacity. Peripheral vascular endothelial function correlates with exercise capacity, but whether this association prevails in smokers is unknown. The purpose of this investigation was to examine the association between endothelial function and exercise capacity in chronic smokers and non-smoking controls. Brachial artery flow-mediated dilation (FMD, endothelium-dependent) following 5 minutes of upper arm occlusion was compared in 26 smokers (age 58 +/- 2 years; 15 female; BMI (body mass index) = 28 +/- 1) and 39 non-smokers (age 58 +/- 2 years; 24 female; BMI = 28 +/- 1) using ultrasound. Exercise treadmill time (ETT) was recorded from a standard Bruce protocol during symptom limited stress testing. There was found to be a significant positive association between FMD and ETT in smokers (r = 0.60, p < 0.05) and non-smokers (r = 0.28, p < 0.05). FMD was significantly lower in smokers versus non-smokers (8.9 +/- 0.9 vs 12.6 +/- 0.7%, p < 0.05). ETT was significantly lower in smokers (425 +/- 35 seconds) versus non-smokers (522 +/- 25 seconds, p < 0.05). After adjusting for FMD, there were no longer group differences in ETT. When patients were matched according to FMD, there were no differences in ETT between smokers and non-smokers. In conclusion, peripheral endothelial dysfunction is a correlate of low exercise capacity in smokers and non-smokers alike. Future research is needed to examine if improving endothelial function will lead to concomitant increases in exercise capacity in chronic smokers.
Amniotic Membrane Grafts for the Prevention of Esophageal Stricture after Circumferential Endoscopic Submucosal Dissection (2014)

The anti-fibrotic effect of AM on esophageal wound healing after ESD delayed the development of esophageal stricture in our model. However, this benefit was of limited duration in the conditions of our study.
Aerosol Deposition Measurements as a Function of Reynolds Number for Turbulent Flow in a Ninety-Degree Pipe Bend (2011)

An experimental and numerical investigation of the effect of the Reynolds number (Re) on the deposition of aerosol particles in a 90° pipe bend for turbulent flow was performed. Deposition fraction data were measured for a range of Stokes numbers (Stk) at different flow Re (10,250, 20,500, and 30,750) higher than those of most previous studies where Re was ⩽10,000. The data show good agreement with previous studies for Stk > 0.4, demonstrating that increased Re does not significantly alter the trend of deposition fraction with Stokes number (Stk) in this range. However, a noticeable increase in deposition was detected for 0.1 ⩽ Stk ⩽ 0.4. At Stk = 0.15, an increase in Re from 10,250 to 30,750 caused a factor of 2.6 increase in deposition fraction from 0.14 to 0.36. Numerical simulations were completed, using the Reynolds Averaged Navier-Stokes (RANS) equations with the Shear Stress Transport turbulence model. Modeling with inertial impaction only (i.e., neglecting turbulent dispersion), the results accurately reproduced the general trends seen in the experimental data; however, they failed to detect the Re effect at low Stk seen experimentally. The inclusion of turbulent particle tracking in the RANS simulation via an eddy interaction model did not improve the results. However, an analytical analysis of the particle tracking equation drawing data from the numerical results, showed that the experimentally observed effect of Re at low Stk can be attributed to damped particle response to velocity fluctuations at the eddy frequency scale.