gebhart/patrepeval huggingface dataset:
Electrochemical QCM Studies of CdTe Formation and Dissolution in Ammoniacal Basic Aqueous Electrolytes (2005)

The behavior of CdTe in deposition and dissolution in a basic ammoniacal aqueous media (pH 10.7) containing Cd(II) and Te(IV) species was investigated in situ using an electrochemical quartz crystal microbalance (QCM). The instantaneous current efficiency of CdTe deposition during potentiostatic cathodic electrolysis, under dark conditions, increased up to 80-90% at the beginning of the electrolysis, but later gradually decreased to ca. 60%, resulting in an overall efficiency of around 70%. In contrast, the overall current efficiency under illumination with visible light increased steeply to 100%. Two anodic waves appeared during the positive-going scan of a cyclic voltammogram in the CdTe deposition bath, and were assigned to (i) a two-electron decomposition of CdTe into Cd(II) ions and elemental Te followed by (ii) a four-electron dissolution of the resulting Te into Te(IV) ions. These observed phenomena are discussed using a potential-pH diagram devised for the system.
An Application of Optimal Design Method on Horizontal Wellbore Length Design (2010)

The paper presents an example of the horizontal wellbore length design through the application of a modified optimal design method. Two different models were developed to tackle the issues of distinct cases through application of the method. In the course of analyzing the models, a qualitative conclusion could be reached that the optimal length of horizontal wells drilled together with vertical wells are always longer than that of horizontal wells only which are being drilled.
HEUI Injector Modeling and ROI Experiments for High Injection Pressure of Diesel and Dimethyl Ether (DME) (2016)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Dimethyl Ether (DME) is considered a clean alternative fuel to diesel due to its soot-free combustion characteristics and its capability to be produced from renewable energy sources rather than fossil fuels such as coal or petroleum. To mitigate the effect of strong wave dynamics on fuel supply lines caused due to the high compressibility of DME and to overcome its low lubricity, a hydraulically actuated electronic unit injector (HEUI) with pressure intensification was used. The study focuses on high pressure operation, up to 2000 bar, significantly higher than pressure ranges reported previously with DME. A one-dimensional HEUI injector model is built in MATLAB/SIMULINK graphical software environment, to predict the rate of injection (ROI) profile critical to spray and combustion characterization. The outputs of model are compared with experimental ROI and injection duration data of both diesel and DME at injection pressures ranging from 750 to 2000 bar for single-hole and multi-hole nozzles. DME was found to have, with respect to diesel, longer injection delays leading to shorter injection durations for same injector command. The DME ROI profiles show that the volumetric flowrates are higher than those of Diesel. ROI profiles from the model are used as an input in CFD simulation to predict spray penetration, which are compared with spray images of both fuels captured in a combustion vessel thus providing a useful validation process for the CFD model.&lt;/div&gt;&lt;/div&gt;
The antioxidant capacity of erythrocyte concentrates is increased during the first week of storage and correlated with the uric acid level (2017)

The marked increase in AOP during the first week of storage suggests that RBCs are impacted early by the modification of their environment. The AOP behaviour reflects the changes in metabolism activity following the adjustment of the extracellular uric acid level. Knowing the origin, interdonor variability and the effects of the AOP on the RBCs could be beneficial for the storage quality, which will have to be further studied.
Conspicuousness, phylogenetic structure, and origins of Müllerian mimicry in 4000 lycid beetles from all zoogeographic regions (2021)

Biologists have reported on the chemical defences and the phenetic similarity of net-winged beetles (Coleoptera: Lycidae) and their co-mimics. Nevertheless, our knowledge has remained fragmental, and the evolution of mimetic patterns has not been studied in the phylogenetic context. We illustrate the general appearance of ~ 600 lycid species and ~ 200 co-mimics and their distribution. Further, we assemble the phylogeny using the transcriptomic backbone and ~ 570 species. Using phylogenetic information, we closely scrutinise the relationships among aposematically coloured species, the worldwide diversity, and the distribution of aposematic patterns. The emitted visual signals differ in conspicuousness. The uniform coloured dorsum is ancestral and was followed by the evolution of bicoloured forms. The mottled patterns, i.e. fasciate, striate, punctate, and reticulate, originated later in the course of evolution. The highest number of sympatrically occurring patterns was recovered in New Guinea and the Andean mountain ecosystems (the areas of the highest abundance), and in continental South East Asia (an area of moderate abundance but high in phylogenetic diversity). Consequently, a large number of co-existing aposematic patterns in a single region and/or locality is the rule, in contrast with the theoretical prediction, and predators do not face a simple model-like choice but cope with complex mimetic communities. Lycids display an ancestral aposematic signal even though they sympatrically occur with differently coloured unprofitable relatives. We show that the highly conspicuous patterns evolve within communities predominantly formed by less conspicuous Müllerian mimics and, and often only a single species displays a novel pattern. Our work is a forerunner to the detailed research into the aposematic signalling of net-winged beetles.
Minimal Sensor Scanning Volumes for Helicopter Terrain Avoidance (2010)

The minimum volume required to be scanned by a helicopter in order to provide a known amount of warning time before potential collisions with static terrain is identied. These volumes are useful because they enable stealthy use of active sensing for safe terrain avoidance. The paper identies an ecient method for calculating the volumes and provides illustrative results of their shapes. Furthermore, the approach is adapted to account for non-instantaneous scanning, providing a practical sensing strategy. Again, simulations illustrate that a specied warning time is ensured.
A robust parasitic-insensitive successive approximation capacitance-to-digital converter (2014)

In this paper, we present a capacitive sensor digital interface circuit using true capacitance-domain successive approximation that is independent of supply voltage. Robust operation is achieved by using a charge amplifier stage and multiple comparison technique. The interface circuit is insensitive to parasitic capacitances, offset voltages, and charge injection, and is not prone to noise coupling. The proposed design achieves very low temperature sensitivity of 25ppm/°C. A coarse-fine programmable capacitance array allows digitizing a wide capacitance range of 16pF with 12.5-bit quantization limited resolution in a compact area of 0.07mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> . The fabricated prototype is experimentally verified using on-chip sensor and off-chip MEMS capacitive pressure sensor.
Left-Hand Side Exploration of Novel Bacterial Topoisomerase Inhibitors to Improve Selectivity against hERG Binding (2015)

Structure-activity relationship (SAR) exploration on the left-hand side (LHS) of a novel class of bacterial topoisomerase inhibitors led to a significant improvement in the selectivity against hERG cardiac channel binding with concomitant potent antimycobacterial activity. Bulky polar substituents at the C-7 position of the naphthyridone ring did not disturb its positioning between two base pairs of DNA. Further optimization of the polar substituents on the LHS of the naphthyridone ring led to potent antimycobacterial activity (Mtb MIC = 0.06 μM) against Mycobacterium tuberculosis (Mtb). Additionally, this knowledge provided a robust SAR understanding to mitigate the hERG risk. This compound class inhibits Mtb DNA gyrase and retains its antimycobacterial activity against moxifloxacin-resistant strains of Mtb. Finally, we demonstrate in vivo proof of concept in an acute mouse model of TB following oral administration of compound 19.
A Robust Method to Quantify Cell Wall Bound Phenolics in Plant Suspension Culture Cells Using Pyrolysis-Gas Chromatography/Mass Spectrometry (2020)

The wide-scale production of renewable fuels from lignocellulosic feedstocks continues to be hampered by the natural recalcitrance of biomass. Therefore, there is a need to develop robust and reliable methods to characterize and quantify components that contribute to this recalcitrance. In this study, we utilized a method that incorporates pyrolysis with successive gas chromatography and mass spectrometry (Py-GC/MS) to assess lignification in cell suspension cultures. This method was compared with other standard techniques such as acid-catalyzed hydrolysis, acetyl bromide lignin determination, and nitrobenzene oxidation for quantification of cell wall bound phenolic compounds. We found that Py-GC/MS can be conducted with about 250 µg of tissue sample and provides biologically relevant data, which constitutes a substantial advantage when compared to the 50-300 mg of tissue needed for the other methods. We show that when combined with multivariate statistical analyses, Py-GC/MS can distinguish cell wall components of switchgrass (<i>Panicum virgatum</i>) suspension cultures before and after inducing lignification. The deposition of lignin precursors on uninduced cell walls included predominantly guaiacyl-based units, 71% ferulic acid, and 5.3% p-coumaric acid. Formation of the primary and partial secondary cell wall was supported by the respective ~15× and ~1.7× increases in syringyl-based and guaiacyl-based precursors, respectively, in the induced cells. Ferulic acid was decreased by half after induction. These results provide the proof-of-concept for quick and reliable cell wall compositional analyses using Py-GC/MS and could be targeted for either translational genomics or for fundamental studies focused on understanding the molecular and physiological mechanisms regulating plant cell wall production and biomass recalcitrance.
Truxene discotic liquid crystals with two different ring substituents: synthesis, mesomorphism and high charged carrier mobility (2013)

Discotic liquid crystals as a kind of promising organic electronic materials show self-assembly property as well as high charged carrier mobility. New truxene discogens, six 3,8,13-tri(alkoxy)-2,7,12-tri(methoxy)truxenes and two 3,8,13-tri(alkoxy)-2,7,12-tri(hydroxy)truxenes, have been synthesised with improved yields, were fully characterised and exhibited good thermal stability. The mesomorphism has been investigated by using polarised optical microscopy, differential scanning calorimetry and X-ray diffraction, and they exhibited ordered hexagonal columnar mesophase. More importantly, the charge carrier mobilities of 6d and 7f have been measured by using time-of-flight technique and 7f displayed hole drift mobility rate of 4.2 × 10−2 cm2 V−1 s−1 in the Colho phase and 0.1 cm2 V−1 s−1 at a lower temperature M mesophase.
Preparation of carbon-11-labeled surrogates of VX and sarin: Divergent radiosynthesis of 11C-tracers by modification of reaction conditions (2018)

186 Objectives: Organophosphates (OP) are a class of compounds used as insecticides and chemical nerve agents that are known as potent cholinesterase inhibitors. As part of our ongoing program to investigate in vivo acetylcholinesterase (AChE) inhibitor tissue and blood profiles, we synthesized 11C-VX and 11C-sarin surrogate tracers. Structurally, the surrogate tracers differ by the presence of either an ethyl or isopropyl phospho-ester component. Herein, we report the preparation of 11C-VX and 11C-sarin surrogate tracers from 11C-carbon dioxide (11CO2) and identical chemical reagents, utilizing unique reaction conditions for each tracer.
Methods: 11CO2 was prepared using a GE PETtrace by the 14N(p,α)11C reaction. The 11C-VX and 11C-sarin surrogate tracers were synthesized using a loop Methods: A Teflon loop (40 cm x 0.03” ID) was coated with a 1 M solution of MeMgBr in diethyl ether and then dried with N2. 11CO2 was transferred in a stream of N2 through the loop at a temperature of 0 °C or 0°C warmed to 25°C. Ethyl derivatives were formed preferentially at 0 °C while increased isopropyl intermediates formed at 25 °C. Reduction of the respective radiointermediates with 0.2 M LiAlH4 and iodination with HI gave the corresponding ethyl- and isopropyl-iodides. The iodides were distilled through P2O5 and ascarite and delivered into a reactor vessel containing a common phosphonic acid precursor to produce the desired 11C-VX or 11C-sarin surrogate tracers at 120 °C. The 11C-tracers were purified by semi-preparative reversed phase HPLC and formulated in 10% acetonitrile/pH 6.8 PBS.
Results: Temperature control of the loop at 0 °C yielded primarily ethyl derivatives, while warming to 25 °C gave a mixture of [11C]ethyl and [11C]isopropyl derivatives. This corroborates previous reports for the preparation of [11C]alkyl iodides [1]. [11C]-VX and -sarin surrogates were prepared in radiochemical purities of >95%. [11C]-VX was obtained in decay corrected yields of 2.8 ± 1.4% while [11C]-sarin was obtained in 0.19 ± 0.04%. Molar activity of [11C]-VX and -sarin were 42 ± 16 and 264 ± 130 Ci/mmol, respectively. Isolated surrogates were stable for > 1h in the pH 6.8 formulation buffer.
Conclusions: We have developed a viable and reproducible radiosynthesis of [11C]VX and sarin surrogate tracers for in vivo imaging and ex vivo tissue evaluations. This novel radiosynthesis exemplifies an efficient approach to prepare two radiotracers using identical reagents by varying reaction conditions thereby enabling enhanced formations of either [11C]-VX or [11C]-sarin surrogate tracers. The versatile qualities of the radiosynthetic approach are thought useful for the generation of other 11C-labeled tracers.
Research Support: This work was supported by NIH U01NS092495-01.
Reference
[1] Zhang, Ming-Rong, Ogawa, Masanao, Yoshida, Yuichiro, Suzuki, Kazutoshi. Applied Radiation and Isotopes. 64, 2006. 216-222.
Poisson-Based Continuous Surface Generation for Goal-Based Caustics (2014)

We present a technique for computing the shape of a transparent object that can generate user-defined caustic patterns. The surface of the object generated using our method is smooth. Thanks to this property, the resulting caustic pattern is smooth, natural, and highly detailed compared to the results btained using previous methods. Our method consists of two processes. First, we use a differential geometry approach to compute a smooth mapping between the distributions of the incident light and the light reaching the screen. Second, we utilize this mapping to compute the surface of the object. We solve Poisson's equation to compute both the mapping and the surface of the object.
Laser-Assisted Synthesis of Amorphous/Pseudoamorphous GaN Thin Films and Nanostructures (2006)

Amorphous/pseudoamorphous GaN was prepared by pulsed-laser ablation at room temperature without any heat treatment. The structure and chemical composition of the specimens were systematically investigated. Laser ablation at low Ar pressure (&lt;50Pa) led to deposition of smooth Ga-rich films, which is independent with laser energy. Under same pressures, as laser energy increased, the film stoichiometry changed from Ga-rich to near stoichiometric composition. Varying background Ar pressure strongly affected the product structure showing little effect on the chemical composition. Under higher pressure than 100 Pa, fine nanoparticles with a size of 5 nm rather than films were deposited on substrate due to the increased collision by plume confining. The optical band-gap of the deposited a-GaN is 2.8 eV for thin films and 3.9 eV for nanoparticles.
Severe Immunodeficiency Has Opposite Effects on Neuronal Survival in Glutamate-Susceptible and -Resistant Mice: Adverse Effect of B Cells (2002)

The resistance of rats or mice to glutamate-induced toxicity depends on their ability to spontaneously manifest a T cell-dependent response to the insult. Survival of retinal ganglion cells (RGCs) exposed to glutamate in BALB/c SCID mice (a strain relatively resistant to glutamate toxicity) was significantly worse than in the wild type. In the susceptible C57BL/6J mouse strain, however, significantly more RGCs survived among SCID mutants than in the matched wild type. RGC survival in the SCID mutants of the two strains was similar. These results suggest 1) that immunodeficiency might be an advantage in strains incapable of spontaneously manifesting protective T cell-dependent immunity and 2) that B cells might be destructive in such cases. After exposure of RGCs to toxic glutamate concentrations in three variants of B cell-deficient C57BL/6J mice, namely muMT(-/-) (B cell knockout mice) and Ii(-/-) mice reconstituted with transgenically expressed low levels of Ii p31 isoforms (p31 mice) or Ii p41 isoforms (p41 mice), significantly more RGCs survived in these mice than in the wild type. The improved survival was diminished by replenishment of the B cell-deficient mice with B cells derived from the wild type. It thus seems that B cells have an adverse effect on neuronal recovery after injury, at least in a strain that is unable to spontaneously manifest a T cell-dependent protective mechanism. These findings have clear implications for the design of immune-based therapies for CNS injury.
Application of capillary‐scale NMR for the structure determination of phytochemicals (2005)

Employing a capillary-scale NMR probe enables the miniaturisation of structure determination and de-replication of purified natural products from plants using only 5-100 microg of material. Approximately 5 microg are required to perform one-dimensional proton and two-dimensional homonuclear (COSY and NOESY) NMR experiments; some 30 microg are needed to acquire HMQC- or HSQC-NMR spectra; ca. 75-100 microg are necessary to measure HMBC-NMR spectra; and around 200 microg of a compound are needed to perform 13C- and DEPT-NMR experiments. In order to illustrate the integration of the outputs from high-throughput natural product chemistry methods with the capabilities of the state-of-the-art CapNMR technology, the preparation of a natural product library from the extract of Penstemon centranthifolius, and the subsequent isolation, purification and structure determination of six known iridoid glycosides with 25-300 microg of material are presented.
Modulated structure of iron–carbon martensite studied by electron microscopy and diffraction (1981)

Satellite spots appear around every fundamental spot in electron diffraction patterns of iron-carbon martensite (α′) tempered in a temperature range from 273 to 363 K. High-resolution electron microscopic observations show that they are due to the formation of a modulated structure, in which interstitial carbon atom clusters smaller than 10 Å are distributed randomly in a plane nearly parallel to (102)α′, with inter-cluster distance of 10–20 Å and such carbon-rich planar regions are spaced periodically with intervals of 10–20 Å, depending on the carbon content of the martensite. A structure analysis was made by measuring the satellite spot intensity of the electron diffraction patterns, and the displacements of atoms from their average positions in martensite were determined. The result supports the above cluster model for the modulated structure.
Epitaxial CrN Thin Films with High Thermoelectric Figure of Merit (2015)

A large enhancement of the thermoelectric figure of merit is reported in single-crystalline films of CrN. The mechanism of the reduction of the lattice thermal conductivity in cubic CrN is similar to the resonant bonding in IV–VI compounds. Therefore, useful ideas from classic thermo­electrics can be applied to tune functionalities in transition metal nitrides and oxides.
Development of Novel Bifunctional Anion-Exchange Resins with Improved Selectivity for Pertechnetate Sorption from Contaminated Groundwater (2000)

The present study evaluated a new class of bifunctional anion-exchange resins with improved selectivity and sorption kinetics for removing pertechnetate (TcO4-) from contaminated groundwater. Both laboratory-column and field flow-through experiments were performed, and results indicated that superior performance of the bifunctional resins has been achieved through the use of two quaternary ammonium groups, one having long chains (trihexylamine) for higher selectivity for poorly hydrated large anions and one having shorter chains (triethylamine) for enhanced kinetics and exchange capacity. Field results indicated that the bifunctional resin performed ∼5 times better than one of the best commercial monofunctional anion-exchange resins (e.g., Purolite A-520E) with respect to the removal of TcO4- from contaminated groundwater. Less than 3% of TcO4- breakthrough was observed after ∼700 000 bed volumes (BV) of contaminated groundwater had been treated by the bifunctional resin column (at a flow rate of ∼6 BV/min) at the U.S. Department of Energy's Paducah Gaseous Diffusion Plant site. The results also demonstrate that the new resin is particularly effective in removing low levels of TcO4- (e.g., at nmol/L range), and a cost saving may be realized by using the bifunctional resins for the treatment of large quantities of contaminated groundwater because of its increased selectivity, treatment efficiency, and longevity. The new resin may also be applied for the efficient treatment of other poorly hydrated large anions such as perchlorate (ClO4-) from contaminated groundwater or surface water.
Amino Alcohols as Ligands for Nickel-Catalyzed Suzuki Reactions of Unactivated Alkyl Halides, Including Secondary Alkyl Chlorides, with Arylboronic Acids (2006)

Suzuki cross-coupling reactions of an unprecedented array of unactivated primary and secondary alkyl halides (including challenging alkyl chlorides) can be accomplished through the use of nickel/amino alcohol-based catalysts. Both the nickel precatalyst and the amino alcohols (prolinol or trans-2-aminocyclohexanol) are commercially available and air-stable. In view of the remarkable diversity of amino alcohols that are readily accessible, this discovery may open the door to the rapid development of versatile catalysts for a wide range of cross-coupling processes.
Cost Evaluation of Optical Packet Switches Using Both Limited-Range and Full-Range Converters for Contention Resolution (2007)

An architecture is proposed for a wavelength division multiplexed (WDM) optical packet switch equipped with both limited range wavelength converters (LRWCs) and shared full range wavelength converters (FRWCs). The FRWCs are used to overcome the performance degradation in terms of packet loss probability due to the use of LRWCs only. A probabilistic model is proposed to dimension the number of shared FRWCs so that the same packet loss probability of a switch equipped with only shared FRWCs is guaranteed. After introducing a cost model of the converters depending on the range conversion, we show that the architecture may allow conversion cost saving in the order of 85%.