gebhart/patrepeval huggingface dataset:
(Invited) Development of 3-inch AlN Single Crystal Substrates (2022)

Aluminum nitride (AlN) holds great promise as a substrate for electronic devices such as high-power switches, high power density, high frequency and high operating temperature devices for RF. This promise is largely due to its superior properties, for instance its ultra-wide bandgap (UWBG) of 6.2 eV, high thermal conductivity (&gt; 290 W/m*K), high melting point (&gt; 2800°C), relatively good chemical resistance, similarity of its lattice structure and parameters to that of Gallium nitride (GaN), high hardness value of about 12 GPa (at 1 N using Vickers indenter), etc. Presently AlN substrates are successfully used for fabrication of ultraviolet (UV) light emitting diodes (LEDs) operating at wavelengths shorter than 280 nm, i.e., in the UVC region of the spectrum. The AlN-based UVC LEDs are employed in water disinfection, surface cleaning, air purification, and environmental sensing. Several factors including substrate availability, size, production capacity, quality, and cost influence the commercialization of the aluminum nitride both as an UWBG and as an opto-electronic substrate. In this work we present the present and future outlook for the AlN substrates made using Physical Vapor Transport (PVT) growth technique. The PVT crystal growth method of aluminum nitride is carried out in a Tungsten crucible that accommodate the AlN source material as well as the (0001) oriented AlN seed. The thermal gradient is provided by an rf-heating plus appropriate shielding and insulation. In this setup, the sublimed source material is transported to the Al-polar face of the seed where it incorporates into a single crystal. The AlN crystals are then oriented, sliced, and polished. The resulting 2-inch substrates are tested to meet certain specification needed for further epitaxial growth and LED processing. The two-inch AlN wafer specification as well as number of physical properties and purity were previously reported [1]. In addition to the 2-inch AlN crystal growth there is an ongoing effort to increase the substrate diameter. Large-diameter (e.g. 100 mm) AlN substrates are a practical requirement benefiting high power electronic devices. Again, PVT growth method is used to expand the crystal size and diameter. However, several challenges have yet to be resolved en route to 100 mm diameter crystals. These challenges are associated with increased thermally induced stress, the need for better control of the axial/radial thermal gradients, vendor ability to provide materials, maintaining crystal quality during expansion, etc. Our PVT growth technique demonstrates high crystal growth yield which allows to contain relatively low production cost. Furthermore, we have established a high-capacity process capable to produce many thousands of 2-inch AlN substrates per year. Our current crystal growth process also demonstrated greater than 3-inch diameter single-crystal AlN substrates; properties of such wafers will be reported. Robert T Bondokov et al 2021 ECS Trans. 104 37
Numinous-like auras and spirituality in persons with partial seizures (2011)

This study investigated hyperreligiosity in persons with partial epilepsy by exploring a relationship between aura symptoms and spirituality. It was reasoned that patients with high frequencies of auras that are suggestive of metaphysical phenomena, termed numinous-like auras, would report increased spirituality of an unconventional form, both during their seizures and generally. Numinous-like auras included: dreaminess/feeling of detachment, autoscopy, derealization, depersonalization, time speed alterations, bodily distortions, and pleasure. A high-frequency aura group, low-frequency aura group, and nonseizure reference group were compared on the Expressions of Spirituality-Revised. The High group had significantly greater Experiential/Phenomenological Dimension and Paranormal Beliefs factor scores than the Low group, and significantly greater Experiential/Phenomenological Dimension factor scores than the reference group. There were no differences between the Low group and the reference group. In addition, there were no differences among the three groups on traditional measures of religiosity. The results provide preliminary evidence that epilepsy patients with frequent numinous-like auras have greater ictal and interictal spirituality of an experiential, personalized, and atypical form, which may be distinct from traditional, culturally based religiosity. This form of spirituality may be better described by the term cosmic spirituality than hyperreligiosity. It is speculated that this spirituality is due to an overactivation and subsequent potentiation of the limbic system, with frequent numinous-like auras indicating sufficient activation for this process to occur. It is likely that numinous-like experiences foster cosmic spirituality in a number of circumstances, including seizures, psychosis, near-death experiences, psychedelic drug use, high-elevation exposure, and also normal conditions.
Heteroatom-Doped Porous Carbons as Effective Adsorbers for Toxic Industrial Gasses (2022)

Ammonia (NH<sub>3</sub>), often stored in large quantities before being used in the production of fertilizer, and sulfur dioxide (SO<sub>2</sub>), a byproduct of fossil fuel consumption, particularly the burning of coal, are highly toxic and corrosive gases that pose a significant danger to humans if accidentally released. Therefore, developing advanced materials to enable their effective capture and safe storage is highly desired. Herein, advanced benzimidazole-derived carbons (BIDCs) with an exceptional capacity for NH<sub>3</sub> and SO<sub>2</sub> have been designed and tested. These heteroatom-doped porous carbon adsorbents were synthesized by thermolysis of imidazolate-potassium salts affording high surface area and controlled heteroatom content to optimize for rapid NH<sub>3</sub> and SO<sub>2</sub> gas uptake and release under practical conditions. According to gas uptake measurements, these nitrogen-doped carbons exhibit exceptional gas adsorption capacity, with BIDC-3-800 adsorbing 21.42 mmol/g SO<sub>2</sub> at 298 K and 1 bar, exceeding most reported porous materials and BIDC-2-700 adsorbing 14.26 mmol/g NH<sub>3</sub> under the same conditions. The NH<sub>3</sub> uptake of BIDC-2-700 surpassed reported activated carbons and is among the best adsorbents including metal organic frameworks (MOFs). Our synthetic method allows for control over both textural and chemical properties of the carbon and enables heteroatom functionality to be incorporated directly into the carbon framework without the need for postsynthetic modification. These materials were also tested for recyclability; all adsorbents showed almost complete retention of their initial gas uptake capacity during recyclability studies and maintained their structural integrity and their previous adsorption capacity of both NH<sub>3</sub> and SO<sub>2</sub>, highlighting their potential for practical application.
Transcriptome-wide association study for restless legs syndrome identifies new susceptibility genes (2020)

Restless legs syndrome (RLS) is a common neurological condition, with a prevalence of 5-15% in Central Europe and North America. Although genome-wide association studies (GWAS) have identified some common risk regions for RLS, the causal genes have yet to be fully elucidated. We conducted a transcriptome-wide association study involving 15,126 RLS cases and 95,725 controls, from the most recent meta-analysis of GWAS, and gene expression weights of GTEx v7 and the CMC dorsolateral prefrontal cortex tissue panels. We identified 13 associations (in 8 independent loci) at the transcriptome-wide significant level, of which 6 were not implicated in the previous GWAS: SKAP1, SLC36A1, CCDC57, FN3KRP, NCOA6/TRPC4AP. A fine-mapping approach prioritized CMTR1, RP1-153P14.5, PRPF6, and PPP3R1 - to our knowledge, the latter of which is the first RLS-associated gene directly implicated in dopaminergic pathways. Overall, our findings highlight the power of integrating gene expression data with GWAS to prioritize putative causal genes for functional follow-up studies.
Catalysis by Gold: Imaging and Local Chemical Probing of the CO Oxidation under in-situ conditions (2004)

The CO oxidation over Au crystal surfaces was studied under in-situ conditions at pressures below 10-3 mbar in the absence of a support material using video-FIM (Field Ion Microscopy). Chemical waves were observed to move across the catalyst surface. Local chemical probing (~300 surface sites) by short field pulses allowed to monitor the chemical surface composition during wave propagation. Partial positive charges at step sites due to the application of imaging fields of several V/nm cause the sticking probability of oxygen molecules to increase by many orders of magnitude. This ensures the presence of significant oxygen surface coverages to perform either titration or co-adsorption experiments with CO gas. In both cases chemical fronts were observed and associated with the formation of CO2. The mass spectra change substantially while waves move across the probe-hole: they contain only oxygen ions first and become dominated by Au carbonyls (AuCOn+ and Au(CO)2n+) later on. The results suggest CO oxidation over pure Au to involve only step sites.
Computed bipolar electrograms from unipolar epicardial recordings (2003)

Cardiac mapping systems use either bipolar or unipolar electrodes to determine the spread of electrical activity throughout the heart. Accurate reconstruction of bipolar waveforms from unipolar pairs could offer a method for resolving inconsistencies in detecting local activation while maintaining the advantages of unipolar recordings. In this study unipolar and bipolar electrograms were recorded simultaneously from the right ventricular outflow track as wavefronts were initiated along the longitudinal and transverse axes of the epicardial fibers during activation of the right ventricle alone with superimposed activation of the left ventricle. Calculated bipolar electrograms were computed by subtracting the unipolar electrogram recorded at one pole of a pair spaced 2-mm apart from the one recorded at the other and were compared to the measured bipolar electrograms for a single beat. When the measured and calculated waveforms were compared, 94% of the electrograms had correlation coefficients of at least 0.90. Activation times were accurately selected, with the peaks of the calculated waveforms occurring within 6 ms of the peaks of the measured electrograms for all cases and within 3 ms for 99% of the pairs.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Solvation Ultrafast Dynamics of Reactions. 11. Dissociation and Caging Dynamics in the Gas-to-Liquid Transition Region (1996)

In this paper we give a full account of the work presented in earlier communications [Lienau et al. Chem. Phys. Lett. 1993, 213, 289; 1994, 218, 224; J. Chim. Phys. 1995, 92, 566]. With femtosecond time resolution, studies are presented of the dynamics in real time of an elementary chemical reaction, the dissociation and recombination of iodine in supercritical rare-gas solvents, in the gas-to-liquid transition region. Through pressure variation, the properties of the solvent, helium, neon, argon, or krypton, are changed from those of an essentially ideal gas at low densities to those of a liquidlike fluid at pressures of several thousand bar. Of particular interest here are (i) the impact of solute−solvent interactions on the coherence of the wave packet nuclear motion, (ii) the collision-induced predissociation of the B state, and (iii) the geminate recombination of the atomic fragments and the subsequent vibrational energy relaxation within the A/A‘ states. In helium and neon, the coherence of the vibrational motion persists for many picoseconds, even at pressures of 2000 bar. For pressures between 100 and 2000 bar of helium and neon, the dephasing rate is only weakly affected by the solvent density. In all solvents, the solvent-induced predissociation rate increases nearly linearly with solvent density. In argon at 2500 bar, the predissociation rate reaches 1.05 ps-1. Relative geminate recombination yields for the formation of new A/A‘ state iodine molecules and the time scale for the geminate recombination and the subsequent A/A‘ state vibrational relaxation dynamics are also studied. The solvation and chemical dynamics are examined, using simple analytical models, in relation to the solvent density and polarizability. With the help of molecular dynamics, detailed in the accompanying paper, we present a microscopic picture of the elementary processes under the free and solvation conditions encompassing the different density regimes in the gas-to-liquid transition region.
ChemInform Abstract: BRIDGING STRAIN IN BICYCLIC CARBOCATIONS (1982)

Abstract Die Solvolyse der Tosylate (I) und (IIa) und (IIb) wird verglichen.
HOT EMBOSSING FOR MEMS USING SILICON TOOLS (2003)

The paper deals with the development of silicon tools and an appropriate hot embossing technology for polymers. With this technology, high quality embossing of optical or fluidic structure for high precision requirements in a batch process is possible thereby reducing system costs. Possible usage is the production of Micro Electro Mechanical Systems (MEMS) for optical or fluidic applications. This could be sensors for chemical analysis of liquids or BioMEMS. Further promising applications are multifunctional printed circuit boards (PCB) or micro cooler. Up to now for coarser dimensions the use of conventional made (e.g. miling) steel tools is common. For forming of smallest structures down to the sub-micrometer range with excellent surface roughness LIGA technology is applied. However, in order to reduce the system costs LIGA tools shall be substituted by silicon tools. Deep reactive ion etching (DRIE) is used to fabricate such an embossing tools allowing complex geometrical figures. For fluidics or optical applications the tool structures have to show a tapered (positive) profile and sufficient low roughness. Roughness can be minimised by further oxidation and etch steps. The hot embossing experiments which will be presented show the capability of the optimised DRIE technology for the aimed application field.
SMART mineral mapping: Synchrotron-based machine learning approach for 2D characterization with coupled micro XRF-XRD (2021)

A Synchrotron-based Machine learning Approach for RasTer (SMART) mineral mapping was developed for the purpose of training a mineral classifier for characterization of millimeter-sized areas of rock thin sections with micron-scale resolution. An Artificial Neural Network (ANN) was used to extract relationships between coupled micro x-ray fluorescence (μXRF) data for element abundances and micro x-ray diffraction (μXRD) data for mineral identity. Once trained, the resulting classifier, i.e., the SMART mineral mapper, can identify minerals using only μXRF data. This is the real value of this machine learning approach because μXRF data are relatively fast to collect and interpret whereas μXRD data take longer to collect and interpret. Training and testing of an initial mapper were done with 192 coupled μXRF-μXRD data points sampled from a 0.25 mm2 area of a shale from the Eagle Ford formation, which was scanned with 2 μm resolution. All data used in this work were obtained from the Advanced Photon Source synchrotron beamline 13-ID-E at Argonne National Laboratory. Three minerals were mapped in the Eagle Ford rock sample, for which there were 8 elements characterized. In the testing phase, the minerals were correctly classified with accuracy of 97 % and higher. The trained SMART mapper was applied for self-similar upscaling by mapping a 14 mm2 scan of the Eagle Ford sample. Generated maps captured micro-scale features characteristic of the stratified texture of the rock, and the identified minerals agreed well with bulk XRD analysis of the powdered rock. The SMART mapper was also applied to a scan of a 6-mineral mixture of known composition to demonstrate ability to distinguish minerals of similar chemistry. The trained SMART mapper is transferable to scans from other x-ray microprobes because of the μXRF data normalization that accounts for sample- and beamline-specific properties like thickness, detector configuration, and incident energy.
Hydrothermal Synthesis of Nanosize alpha‐Al2O3 from Seeded Aluminum Hydroxide (1998)

alpha‐Alumina and boehmite particles were synthesized by coprecipitation followed by a hydrothermal treatment. X‐ray diffraction (XRD) indicated that alpha‐Al 2 O 3 was the major phase and coexisted with 4% of boehmite in the presence of the alpha‐Al 2 O 3 seeds. On the other hand, a single boehmite phase was obtained in the absence of the alpha‐Al 2 O 3 seed particles. The powder densified in the temperature range from 1050° to 1350°C. High‐resolution transmission electron microscopy (HRTEM) showed that the particle size of the synthesized alpha‐Al 2 O 3 was 60 nm. The surface area was 245 m 2 /g.
Recent Developments in the Synthesis of Indole‐Pyrazole Hybrids (2022)

Abstract Indole and pyrazole are two important scaffolds in the field of medicinal chemistry. Compounds bearing indole and/or pyrazole moiety have been extensively investigated for a wide range of biological applications. Of them, compounds containing both indole and pyrazole moieties (also termed as indole‐pyrazole hybrids) are of particular interest since synergistic pharmacological activities may be gained comparing to those with each individual pharmacophore. Indole‐pyrazole hybrids can be classified into two general classes of direct‐linked hybrids and spacer‐linked hybrids. For each class, it can be sub‐divided into indole‐C2 pyrazole hybrids, indole‐C3 pyrazole hybrids and indole‐C4/5/6/7 pyrazole hybrids based on the substitution position of pyrazole on the indole moiety. Many types of indole‐pyrazole hybrids have been reported with good antimicrobial, anticancer, antitumor, anti‐inflammatory, anti‐oxidant activities etc . However, no papers have been noted to comprehensively summarize the chemical synthesis of these important indole‐pyrazole hybrids as bioactive compounds except for a few reviews focusing on the synthesis of each individual indole‐ and pyrazole‐containing derivatives. Thus, we here present a comprehensive and updated review focusing on the progress of chemical synthesis of all types of indole‐pyrazole hybrids in order to provide a better understanding of the indole‐pyrazole hybrids to researchers in the fields of synthetic chemistry and to facilitating drug development.
Spherical nitrogen-doped hollow mesoporous carbon as an efficient bifunctional electrocatalyst for Zn–air batteries (2015)

Materials based upon porous carbon have gained considerable attention due to their high surface area, electric conductivity, thermal and chemical stability, low density, and availability. These superior properties make them ideal for diverse applications. Doping these carbon nanostructures holds promise of designing the properties of these structures and opening the door to practical applications. Herein, we report the preparation of hollow N-doped mesoporous carbon (HMC) spheres fabricated via polymerization and carbonization of dopamine on a sacrificial spherical SiO(2) template that is removed upon hydrofluoric acid etching. The morphology and structural features of these HMCs were evaluated using scanning electron microscopy and transmission electron microscopy and the N-doping (7.1 at%) was confirmed by X-ray photoelectron spectroscopy (XPS). The oxygen reduction/evolution reaction (ORR/OER) performance of N-doped HMC was evaluated using rotating disk electrode (RDE) voltammetry in an alkaline electrolyte. N-doped HMC demonstrated a high ORR onset potential of -0.055 V (vs. Hg/HgO) and excellent stability. The outstanding bifunctional activity was implemented in a practical Zn-air battery (ZAB), which exhibited a small charge-discharge voltage polarization of 0.89 V and high stability over repeated cycling.
Power Control with Variable Target SINR for D2D Communications Underlying Cellular Networks (2014)

Device-to-Device (D2D) communications underlying cellular networks appears as a promising solution to increase network capacity and offload the cellular network through a direct link with reduced congestion. However, D2D communications can generate significant interference to the cellular network when the same resources are shared by both systems. Therefore, interference management techniques such as Power Control (PC) are required to keep the interference under control. In this paper, we provide a performance assessment of a PC algorithm with variable target Signal to Interference-plus-Noise Ratio (SINR) applied to cellular and D2D communications, which is called Soft Dropping (SD). Simulation results have shown that the SD algorithm applied to D2D communications can improve the system spectral efficiency of cellular communications in 14% and still significantly reduce the power of D2D transmitters in 49% without harm the system spectral efficiency achieved by D2D receivers. Moreover, by allowing a reduction on the performance of D2D communications, the cellular communications can be further improved with additional power saving of D2D transmitters.
Host–Guest Binding Hierarchy within Redox‐ and Luminescence‐Responsive Supramolecular Self‐Assembly Based on Chalcogenide Clusters and γ‐Cyclodextrin (2018)

Water-soluble salts of anionic [Re<sub>6</sub> Q<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> (Q=S, Se, Te) chalcogenide octahedral rhenium clusters react with γ-cyclodextrin (γ-CD) producing a new type of inclusion compounds. Crystal structures determined through single-crystal X-ray diffraction analysis revealed supramolecular host-guest assemblies resulting from close encapsulations of the octahedral cluster within two γ-CDs. Interestingly, nature of the inner Q ligands influences strongly the host-guest conformation. The cluster [Re<sub>6</sub> S<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> interacts preferentially with the primary faces of the γ-CD while the bulkier clusters [Re<sub>6</sub> Se<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> and [Re<sub>6</sub> Te<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> exhibit specific interactions with the secondary faces of the cyclic host. Furthermore, analysis of the crystal packing reveals additional supramolecular interactions that lead to 2D infinite arrangements with [Re<sub>6</sub> S<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> or to 1D "bamboo-like" columns with [Re<sub>6</sub> Se<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> and [Re<sub>6</sub> Te<sub>8</sub> (CN)<sub>6</sub> ]<sup>4-</sup> species. Solution studies, using multinuclear NMR methods, ESI-MS and Isothermal titration calorimetry (ITC) corroborates nicely the solid-state investigations showing that supramolecular pre-organization is retained in aqueous solution even in diluted conditions. Furthermore, ITC analysis showed that host-guest stability increases significantly ongoing from S to Te. At last, we report herein that deep inclusion alters significantly the intrinsic physical-chemical properties of the octahedral clusters, allowing redox tuning and near IR luminescence enhancement.