gebhart/patrepeval huggingface dataset:
Radical Polymerization of Pendant (Meth)acrylates on a Rigid Helical Polyisocyanate Backbone Producing Poly(meth)acrylates with “Ideally” Atactic Main Chain Configuration (2015)

This study includes a topic that poly(methyl methacrylate) (PMMA) with an “ideally” atactic main chain configuration, approximately triad tacticities of mm/mr/rr = 1/2/1, has been produced in solution by the “one-dimensionally regulated” radical polymerization using rigid helical polyisocyanate as a macromolecular template. Three types of isocyanate monomers with pendant (meth)acryloxy groups, such as 2-(methacryloxy)ethyl isocyanate (MOI), 2-[2-(methacryloxy)ethoxy]ethyl isocyanate (MOI-EO), and 2-(acryloxy)ethyl isocyanate (AOI), were polymerized using a titanium alkoxide complex to produce the corresponding polyisocyanates, MOI-n, MOI-EO-n, and AOI-n, respectively, in which n represents the number-averaged degree of polymerization. From the SAXS measurements of MOI-26 in hexafluoro-2-propanol and MOI-EO-38 in tetrahydrofuran at 25 °C, the polyisocyanates were found to be considered as rigid rod molecules. The radical polymerization of the pendant (meth)acryloxy groups was performed, and the polyisocyanate template was removed by alkali hydrolysis followed by methyl esterification, eventually producing the poly[methyl (meth)acrylate]s. The diad, triad, and pentad tacicities of the products were determined by the 1H and 13C NMR spectra, and these probabilities followed those calculated based on the Bernoulli statistics. The influences of the polymerization conditions, such as polymerization temperature and monomer concentration, on the tacticity of the final polymers were clarified. The effect of the flexible spacer between the polymerizable group and polyisocynate template was also evaluated. The radical polymerizations in which the polymerizable groups are molecularly regulated on a rod-like helical polyisocyanate backbone produced vinyl polymers with inimitable tacticities even in the solution state.
Die Einelektronen‐Oxidation von Diazasilacyclopentenen (1983)

Abstract Das vollständige Manuskript dieser Zuschrift erscheint in: Angew. Chem. Suppl. 1983 , 874. DOI: 10.1002/ange.198308740
Hyperbaric Oxygen Therapy Can Induce Neuroplasticity and Significant Clinical Improvement in Patients Suffering From Fibromyalgia With a History of Childhood Sexual Abuse—Randomized Controlled Trial (2018)

<b>Background:</b> Fibromyalgia syndrome (FMS), a condition considered to represent a prototype of central sensitization syndrome, can be induced by different triggers including childhood sexual abuse (CSA). Recent studies have demonstrated hyperbaric oxygen therapy (HBOT) can induce neuroplasticity and improve clinical outcome of FMS. The aim of the current study was to evaluate the effect of HBOT on patients suffering from FMS with a history of CSA. <b>Materials and methods:</b> A prospective randomized clinical trial conducted between July 2015 and November 2017 included women with a history of CSA who fulfilled fibromyalgia diagnosis criteria for at least 5 years prior to inclusion. Included participants (<i>N</i> = 30) were randomly assigned to treatment group, treated with 60 HBOT sessions and a control/crossover group received psychotherapy. After the control period, the control/crossover group was crossed to HBOT. Clinical outcomes were assessed using FMS questioners, post-traumatic stress disorder (PTSD) questioners and quality of life questioners. Objective outcome were assessed using brain function and structure imaging. <b>Findings:</b> Following HBOT, there was a significant improvement in all FMS questionnaires (widespread pain index, Fibromyalgia symptoms severity scale, Fibromyalgia functional impairment), most domains of quality of life, PTSD symptoms and psychological distress. The same significant improvements were demonstrated in the control following crossover to HBOT. Following HBOT, brain SPECT imaging demonstrated significant increase in brain activity in the prefrontal cortex, orbital frontal cortex, and subgenual area (<i>p</i> < 0.05). Brain microstructure improvement was seen by MRI-DTI in the anterior thalamic radiation (<i>p</i> = 0.0001), left Insula (<i>p</i> = 0.001), and the right Thalamus (<i>p</i> = 0.001). <b>Conclusion:</b> HBOT induced significant clinical improvement that correlates with improved brain functionality and brain microstructure in CSA related FMS patients. <b>Trial Registration:</b> www.Clinicaltrials.gov, identifier: NCT03376269. url: https://clinicaltrials.gov/show/NCT03376269.
Templating Routes to Supported Oxide Catalysts by Design (2016)

The rational design and understanding of supported oxide catalysts requires at least three advancements, in order of increasing complexity: the ability to quantify the number and nature of active sites in a catalytic material, the ability to place external controls on the number and structure of these active sites, and the ability to assemble these active sites so as to carry out more complex functions in tandem. As part of an individual investigator research program that is integrated with the Northwestern University Institute for Catalysis in Energy Processes (ICEP) as of 2015, significant advances were achieved in these three areas. First, phosphonic acids were utilized in the quantitative assessment of the number of active and geometrically-available sites in MOx-SiO2 catalysts, including nanocrystalline composites, co-condensed materials, and grafted structures, for M=Ti, Zr, Hf, Nb, and Ta. That work built off progress in understanding supported Fe, Cu, and Co oxide catalysts from chelating and/or multinuclear precursors to maximize surface reactivity. Secondly, significant progress was made in the new area of using thin oxide overcoats containing ‘nanocavities’ from organic templates as a method to control the dispersion and thermal stability of subsequently deposited metal nanoparticles or other catalytic domains. Similar methods were used to control surface reactivity in SiO2-Al2O3 acid catalysts and to control reactant selectivity in Al2O3-TiO2 photocatalysts. Finally, knowledge gained from the first two areas has been combined to synthesize a tandem catalyst for hydrotreating reactions and an orthogonal tandem catalyst system where two subsequent reactions in a reaction network are independently controlled by light and heat. Overall, work carried out under this project significantly advanced the knowledge of synthesis-structure-function relationships in supported oxide catalysts for energy applications.
Use of the Inverse Solution Guidance Algorithm method for RF ablation catheter guidance (2020)

We previously introduced the Inverse Solution Guidance Algorithm (ISGA) methodology using a Single Equivalent Moving Dipole model of cardiac electrical activity to localize both the exit site of a re-entrant circuit and the tip of a radiofrequency (RF) ablation catheter. The purpose of this study was to investigate the use of ISGA for ablation catheter guidance in an animal model. Ventricular tachycardia (VT) was simulated by rapid ventricular pacing at a target site in eleven Yorkshire swine. The ablation target was established using three different techniques: a pacing lead placed into the ventricular wall at the mid-myocardial level (Type-1), an intracardiac mapping catheter (Type-2), and an RF ablation catheter placed at a random position on the endocardial surface (Type-3). In each experiment, one operator placed the catheter/pacing lead at the target location, while another used the ISGA system to manipulate the RF ablation catheter starting from a random ventricular location to locate the target. The average localization error of the RF ablation catheter tip was 0.31 ± 0.08 cm. After analyzing ~35 cardiac cycles of simulated VT, the ISGA system’s accuracy in locating the target was 0.4 cm after 4 catheter movements in the Type-1 experiment, 0.48 cm after 6 movements in the Type-2 experiment, and 0.67 cm after 7 movements in the Type-3 experiment. We demonstrated the feasibility of using the ISGA method to guide an ablation catheter to the origin of a VT focus by analyzing a few beats of body surface potentials without electro-anatomic mapping.
Study of peroxide-modified titanium dioxide (anatase) (1990)

The compounds formed on titania (anatase) after its treatment with hydrogen peroxide have been investigated by spectroscopic methods, thermal desorption measurements and chemical analysis. Physically adsorbed hydrogen peroxide, hydroperoxide groups, and O–2 anion radicals were found. The possible active sites for adsorption and the structure of the hydroperoxide groups are discussed.
PHOTOCHEMISTRY OF PESTICIDES, 71. REGIOSELECTIVE PHOTODIMERIZATION OFo,o-DIETHYL-o-(3-CHLORO-4-METHYLCOUMARIN-7-YL)-THIOPHOSPHATE (COUMAPHOS) (1987)

Abstract UV-irradiation (λ > 313 nm) of o,o-diethyl-o-(3-chloro-4-methyl-coumarin-7-yl)-thiophosphate (Coumaphos; 1) in chloroform results in an regioselective dimerization reaction to afford the head-to-tail anti-dimer 2. The structure of 2 is established by single crystal x-ray diffraction. Singlet oxygen does not affect the formation of 2.
Towards flexible dye-sensitized solar cell combining vertically aligned TiO2 nanotube array and light-cured polymer network (2014)

One of the possible applications of Dye-sensitized Solar Cells (DSSCs) is the biasing of lowpower portable devices. In this framework, the cells should be flexible and adaptable to complex shapes. For these kinds of applications, quasi-solid or solid electrolytes are preferred with respect to liquid ones. As a good alternative to conventional gels, we proposed polymer electrolyte membranes (PEMs), prepared through a green, low-cost and fast process of photoinitiated polymerization, which allows obtaining a fast transformation of a liquid monomer or oligomer into a solid membrane with tailored physico-chemical and mechanical properties. We present here several acrylic/methacrylic PEMs, whose correlations between the structure of the polymer network and the charge transport properties were detailed. One the most critical aspect in the development of flexible DSSCs lies in the fabrication of a nanostructured TiO2 film with good adhesion to the conductive substrate, high surface area, excellent dye loading capabilities and good transport properties for the electrons. The employment of mesoporous TiO2 nanoparticles, treated with low-temperature procedures has been recently explored, but it did not guarantee the desired results. A possible alternative way is based on the use of TiO2 nanotubes (NTs) grown by anodic oxidation. TiO2 NTs show a good adhesion to the starting substrate of growth and can provide performances competitive with those of TiO2 nanoparticles, showing higher electron transport thanks to the quasi-one dimensional arrangement and high surface area for dye anchoring. The as grown and thermally treated samples were deeply investigated in order to gain a whole understanding of their structural, physical and chemical properties. Here we report for the first time the combination of a methacrylic crosslinked PEMs (whose polymeric network has been deeply characterized by charge-transfer measurements and dynamo-mechanical analysis) and vertically oriented TiO2nanotubes grown by anodic oxidation of flexible Ti mesh in order to fabricate a flexible and transparent DSSC. The photovoltaic behavior was exhaustively investigated by electrical measurements and impedance spectroscopy. To the state-of-the-art, the appropriate selection and optimization of all the materials allowed us to obtain the most efficient quasi-solid flexible DSSC ever produced.
Characterisation of peripheral blood mononuclear cell microRNA in early onset psoriatic arthritis. (2017)

In early PsA, a 19- (vs. HC) and 48- (vs. ERA) miRNA signature was identified. A differential expression of miRNAs in patients with active disease makes them attractive biomarkers of psoriatic disease. MiR-21-5p was found up-regulated both in early PsA and ERA, a finding which highlights its role in the inflammatory process in general and its potential role as a therapeutic target in different inflammatory disorders. A potential role of miR-21-5p as a response to treatment biomarker in early PsA has been identified.
An Acoustic Gray Scale for Scanning Acoustic Microscopy and Diagnostic Ultrasound (1979)

The principle of a true acoustic gray scale standard is presented and experimentally applied to the Scanning Acoustic Microscope (SAM). The implementation is based on the impedance matching property of a quarter wave impedance transformer through which precise changes in reflection coefficient may be produced in a single material. The performance of the first implementation designed for 375 MHz operation is described and the implications of its use are discussed in detail. The application of the principle to diagnostic ultrasound is also treated.
A "White" Anthocyanin-less Pomegranate (Punica granatum L.) Caused by an Insertion in the Coding Region of the Leucoanthocyanidin Dioxygenase (LDOX; ANS) Gene (2015)

Color is an important determinant of pomegranate fruit quality and commercial value. To understand the genetic factors controlling color in pomegranate, chemical, molecular and genetic characterization of a "white" pomegranate was performed. This unique accession is lacking the typical pomegranate color rendered by anthocyanins in all tissues of the plant, including flowers, fruit (skin and arils) and leaves. Steady-state gene-expression analysis indicated that none of the analyzed "white" pomegranate tissues are able to synthesize mRNA corresponding to the PgLDOX gene (leucoanthocyanidin dioxygenase, also called ANS, anthocyanidin synthase), which is one of the central structural genes in the anthocyanin-biosynthesis pathway. HPLC analysis revealed that none of the "white" pomegranate tissues accumulate anthocyanins, whereas other flavonoids, corresponding to biochemical reactions upstream of LDOX, were present. Molecular analysis of the "white" pomegranate revealed the presence of an insertion and an SNP within the coding region of PgLDOX. It was found that the SNP does not change amino acid sequence and is not fully linked with the "white" phenotype in all pomegranate accessions from the collection. On the other hand, genotyping of pomegranate accessions from the collection and segregating populations for the "white" phenotype demonstrated its complete linkage with the insertion, inherited as a recessive single-gene trait. Taken together, the results indicate that the insertion in PgLDOX is responsible for the "white" anthocyanin-less phenotype. These data provide the first direct molecular, genetic and chemical evidence for the effect of a natural modification in the LDOX gene on color accumulation in a fruit-bearing woody perennial deciduous tree. This modification can be further utilized to elucidate the physiological role of anthocyanins in protecting the tree organs from harmful environmental conditions, such as temperature and UV radiation.
Destruction of intracellular and isolatedLeishmania mexicana amazonensisamastigotes by amino acid amides (1988)

L-amino acid esters such as leucine methyl ester (Leu-OMe) destroy Leishmania mexicana amazonensis amastigotes by a mechanism which may involve hydrolysis of the compounds by parasite enzymes. Moreover, several esters (e.g. Ile-OMe) prevent the killing of parasites by Leu-OMe, perhaps by inhibition of the hydrolytic enzymes. We show here that certain amino acid amides are also leishmanicidal. Killing of Leishmania within macrophages was assessed microscopically, and that of isolated amastigotes was measured by reduction of the tetrazolium MTT. Amino acid amides were generally less active than the methyl esters and several were more toxic to the macrophages, as determined by inspection of Giemsa-stained preparations. Ranks of activity of the amides on isolated amastigotes were Trp greater than Leu greater than Phe greater than Met greater than Tyr. The amides of Ala, Gly, Val, Ile, His and D-Leu were inactive. This pattern of activity is similar to that of amino acid methyl esters. Ile-NH2 and a few other amides protected intracellular as well as isolated parasites from killing by Leu-OMe. Conversely, Ile-OMe reduced the toxicity of Leu-NH2 for isolated amastigotes. None of the esters or amides assayed prevented the destruction of Leishmania by Trp-NH2. The results are compatible with the view that amino acid esters and amides may be recognized by the same or similar parasite enzymes.
Dataset associated with 'Techno-economic Analysis of Charging and Heating Options for an Electric Bus Service in London' (2019)

A set of Matlab .fig files containing the data presented in this paper. These files contain all the data used to generate the figures in the paper. Most were the result of simulations.
Effects of Parameters on Surface Roughness of Metal Parts by Selective Laser Melting (2013)

The primary goal of this research is the effects of laser process parameters on surface roughness of metal parts built by selective laser melting. The main processing parameters used to control the surface roughness of melted layers are laser power, scanning velocity and overlap ratio. In our work, an orthogonal experimental design was employed to find the changing rules of the surface roughness through changing SLM processing parameters. The results show that the overlap ratio is the most important factor to affect the surface roughness. When the overlap ratio is below 50%, the surface roughness value of melted layers will decrease with laser power density increasing. When the overlap ratio is higher than or equal to 50%, the surface roughness value increases with the laser power density increasing. The optimal parameters of laser power 143W, scanning velocity 5m/min and overlap ratio 30% can be used to achieve melted layers with the best surface quality in our experiments, and the roughness value increases with slicing thickness increasing and the surface bias angle decreases.
MEG and EEG in Epilepsy (2003)

Both EEG and magnetoencephalogram (MEG), with a time resolution of 1 ms or less, provide unique neurophysiologic data not obtainable by other neuroimaging techniques. MEG has now emerged as a mature clinical technology. While both EEG and MEG can be performed with more than 100 channels, MEG recordings with 100 to 300 channels are more easily done because of the time needed to apply a large number of EEG electrodes. EEG has the advantage of the long-term video EEG recordings, which facilitates extensive temporal sampling across all periods of the sleep/wake cycle. MEG and EEG seem to complement each other for the detection of interictal epileptiform discharges, because some spikes can be recorded only on MEG but not on EEG and vice versa. Most studies indicate that MEG seems to be more sensitive for neocortical spike sources. Both EEG and MEG source localizations show excellent agreement with invasive electrical recordings, clarify the spatial relationship between the irritative zone and structural lesions, and finally, attribute epileptic activity to lobar subcompartments in temporal lobe and to a lesser extent in extratemporal epilepsies. In temporal lobe epilepsy, EEG and MEG can differentiate between patients with mesial, lateral, and diffuse seizure onsets. MEG selectively detects tangential sources. EEG measures both radial and tangential activity, although the radial components dominate the EEG signals at the scalp. Thus, while EEG provides more comprehensive information, it is more complicated to model due to considerable influences of the shape and conductivity of the volume conductor. Dipole localization techniques favor MEG due to the higher accuracy of MEG source localization compared to EEG when using the standard spherical head shape model. However, if special care is taken to address the above issues and enhance the EEG, the localization accuracy of EEG and MEG actually are comparable, although these surface EEG analytic techniques are not typically approved for clinical use in the United States. MEG dipole analysis is approved for clinical use and thus gives information that otherwise usually requires invasive intracranial EEG monitoring. There are only a few dozen whole head MEG units in operation in the world. While EEG is available in every hospital, specialized EEG laboratories capable of source localization techniques are nearly as scarce as MEG facilities. The combined use of whole-head MEG systems and multichannel EEG in conjunction with advanced source modeling techniques is an area of active development and will allow a better noninvasive characterization of the irritative zone in presurgical epilepsy evaluation. Finally, additional information on epilepsy may be gathered by either MEG or EEG analysis of data beyond the usual bandwidths used in clinical practice, namely by analysis of activity at high frequencies and near-DC activity.
Origin of highly spatially selective etching in deeply implanted complex oxides (2008)

The origin of the rate of anomalously high spatially selective etching of a buried heavily implanted region in complex oxides is studied. Single-crystal LiNbO3 samples are prepared with a 0.4μm wide implanted region at depth of 10μm, using 5×1016cm−2 fluence of 3.8MeV He+, and wet etched after a low-temperature anneal. An etch-rate enhancement of 104 is found after implantation and low-temperature 175–275°C post-implantation annealing. Experiments using time-resolved optical microscopy, x-ray diffraction, and proximal-probe microscopy show that this enhancement arises from the more rapid etch-solution transport in the microdomain network formed in the implanted region after annealing.
Holographic tissue dynamics spectroscopy (2011)

Tissue dynamics spectroscopy uses digital holography as a coherence gate to extract depth-resolved quasi-elastic dynamic light scattering from inside multicellular tumor spheroids. The temporal speckle contrast provides endogenous dynamical images of proliferating and hypoxic or necrotic tissues. Fluctuation spectroscopy similar to diffusing wave spectroscopy is performed on the dynamic speckle to generate tissue-response spectrograms that track time-resolved changes in intracellular motility in response to environmental perturbations. The spectrograms consist of several frequency bands that range from 0.005 to 5 Hz. The fluctuation spectral density and temporal autocorrelations show the signature of constrained anomalous diffusion, but with large fluctuation amplitudes caused by active processes far from equilibrium. Differences in the tissue-response spectrograms between the proliferating outer shell and the hypoxic inner core differentiate normal from starved conditions. The differential spectrograms provide an initial library of tissue-response signatures to environmental conditions of temperature, osmolarity, pH, and serum growth factors.
Optimized Reception Sensitivity of WBAN Sensors Exploiting Network Coding and Modulation Techniques in an Advanced NB-IoT (2022)

The sensitivity of the maximum useable data is the most significant characteristic that describes the quality of the Narrowband Internet of Things (NB-IoT) of Medical sensors (MS) receivers. It becomes the most important performance factor in mobile wireless communication networks, particularly wireless body area networks (WBAN). Our interest is in level sensitivity using modulation techniques and subcarrier spacing(SS) to achieve good Bit Error Rate (BER) performance, throughput, and power efficiencies for WBAN communication Systems in an advanced NB-IoT. We propose an efficient coding technique using Linear Network Coding (LNC) to improve sensitivity by considering several factors without affecting the human body. We also present an experimentally analyzed overview of the reception sensibility. Our research has revealed that the receiver sensitivity (minimum detectable signal level) and throughput of the proposed approach (PA) are much better than the conventional approach (CA), achieving more than 14.3% and 55%, respectively, compared to the CA. Also, the PA has improved the modulation types by approximately 45% to provide more throughput and reliability.