gebhart/patrepeval huggingface dataset:
Fluoroarenes (2023)

In this chapter, an overview of fluoroarenes is given, followed by a description of their synthesis by type of reaction, such as direct Ar–H fluorination, Halex reaction, and diazotization–fluorodediazoniation. Recent advances in synthetic methods are also discussed. Application fields such as pharmaceuticals, agrochemicals, and liquid crystals are also described.
Two dimensional simulation of lower hybrid resonance heating (1975)

The response of a magnetized plasma to excitation by an external longitudinal electric field oscillating near the lower hybrid frequency is examined by numerical simulation. A two-dimensional, electrostatic finite-size particle code is used with the ion motion described by standard particle-in-cell methods and the electrons simulated in the guiding-centre approximation. The guiding-centre model removes the electron mass from consideration and all time scales are measured in units of the inverse ion plasma frequency. An examination of the parameters that control the ion heating lead to the following conclusions: (1) The heating mechanism is not a collisional process. (2) The ion heating rate reaches a maximum for lambda identical to ko2 rho ci2 approximately=1. (3) The heating rate and final temperature is improved for frequencies slightly greater than the lower hybrid frequency. (4) The ion heating is improved for low densities. (5) Satellite modes appear on both sides of the dominant mode in the frequency spectrum.
Multivariate Analysis of TOF-SIMS Spectra of Monolayers on Scribed Silicon (2005)

Static time-of-flight secondary ion mass spectrometry (TOF-SIMS) was performed on monolayers on scribed silicon (Si(scr)) derived from 1-alkenes, 1-alkynes, 1-holoalkanes, aldehydes, and acid chlorides. To rapidly determine the variation in the data without introducing user bias, a multivariate analysis was performed. First, principal components analysis (PCA) was done on data obtained from silicon scribed with homologous series of aldehydes and acid chlorides. For this study, the positive ion spectra, the negative ion spectra, and the concatentated (linked) positive and negative ion spectra were preprocessed by normalization, mean centering, and autoscaling. The mean centered data consistently showed the best correlations between the scores on PC1 and the number of carbon atoms in the adsorbate. These correlations were not as strong for the normalized and autoscaled data. After reviewing these methods, it was concluded that mean centering is the best preprocessing method for TOF-SIMS spectra of monolayers on Si(scr). A PCA analysis of all of the positive ion spectra revealed a good correlation between the number of carbon atoms in all of the adsorbates and the scores on PC1. PCA of all of the negative ion spectra and the concatenated positive and negative ion spectra showed a correlation based on the number of carbon atoms in the adsorbate and the class of the adsorbate. These results imply that the positive ion spectra are most sensitive to monolayer thickness, while the negative ion spectra are sensitive to the nature of the substrate-monolayer interface and the monolayer thickness. Loadings show an inverse relationship between (inorganic) fragments that are expected from the substrate and (organic) fragments expected from the monolayer. Multivariate peak intensity ratios were derived. It is also suggested that PCA can be used to detect outlier surfaces. Partial least squares showed a strong correlation between the number of carbon atoms in the adsorbate and the number it predicted.
Modelling of the coupled thermo-electric fluid flow effects in a compact glass melting tank (2010)

In this paper a two dimensional glass tank model is presented for an electrically heated compact glass melting unit operated at the University of Bayreuth. The model is solved using the ANSYS commercial finite element analysis (FEM) software package. The glass tank model considers coupled thermo-electrical fluid flow effects and describes the heat transfer, electrical field and fluid flow patterns. The effect of radiation has also been included by considering the temperature dependent effective radiative thermal conductivity in the fluid analysis. The model has been validated with measured temperature data from the existing glass melting unit and achieves good agreement between calculated and measured temperatures in different operation modes. For example at a pull rate of 150 kg/day of the tested soda-lime-silica glass maximum melt bath temperature is 1310°C, while the simulation calculatew a temperature of 1289°C.
The Disappearance, Excretion, and Metabolism of Tritiated Prolyl-Leucyl-Glycinamide in Man (1974)

3H-Pro-Leu-Gly-NH2, a melanocyte-stimulating hormone release inhibiting factor, was injected into 5 healthy men. A plot of the time of the disappearance of radioactivity in plasma wascharacteristic of a multiexponential curve. The half-life of the first component was 1.9 ± 0.06 min and of the second component 15.2 ± 1.5 min. The distribution volume was 20 % of the body weight. One hour after the injection of labeled MIF, 17.2 ± 0.7% of the dose of radioactivity was found in the urine and after 24 h, 25% had been excreted. Extraction of the urine, followed by chromatography on carboxymethyl cellulose and thin layer electrophoresis, showed that over 70% of the radioactivity was associated with the intact molecule while a smaller amount appeared to be either free proline, Pro-Leu-OH, or the deaminated form of the tripeptide. It appears that the main pathway for the clearance of MIF from the human body is excretion of the intact molecule.
Derivation of hMSCs from hNCCs. (2015)

&lt;p&gt;A) Schematic protocol for the induction of hMSCs. B) Phase contrast images of cells before (D8) and after (D21) the induction. Scale bar, 200 µm. C) Expression of surface markers in hBM-MSCs (hBM90) and 201B7-derived MSCs (201B7-MSC). D) Hierarchical clustering analyses by genome-wide gene expression profiles. RNAs were extracted from hBM-MSCs (BM90, BM91 and BM94), induced-MSCs, and the corresponding hNCCs and hiPSCs. E) Differentiation properties of induced-MSCs. The induction for osteogenic (OI), chondrogenic (CI), and adipogenic (AI) lineages was performed as described in the &lt;a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0112291#s2" target="_blank"&gt;Materials and Methods&lt;/a&gt; section and evaluated by Alizarin Red staining (OI), Alcian Blue staining (CI), and Oil Red O staining (AI), respectively. Scale bar, 100 µm. F) Population of SSEA4-positive cells. G) The expression levels of pluripotent markers (&lt;i&gt;OCT3/4&lt;/i&gt;, &lt;i&gt;NANOG&lt;/i&gt; and &lt;i&gt;SOX2&lt;/i&gt;) in hPSCs, hNCCs, and hMSCs. Average ± SD. N = 3, biological triplicates.&lt;/p&gt;
A New Multivariate Optical Computing Microelement and Miniature Sensor for Spectroscopic Chemical Sensing in Harsh Environments: Design, Fabrication, and Testing (2019)

Multivariate optical computing (MOC) is a compressed sensing technique with the ability to provide accurate spectroscopic compositional analysis in a variety of different applications to multiple industries. Indeed, recent developments have demonstrated the successful deployment of MOC sensors in downhole/well-logging environments to interrogate the composition of hydrocarbon and other chemical constituents in oil and gas reservoirs. However, new challenges have necessitated sensors that operate at high temperatures and pressures (up to 230 °C and 138 MPa) as well as even smaller areas that require the miniaturization of their physical footprint. To this end, this paper details the design, fabrication, and testing of a novel miniature-sized MOC sensor suited for harsh environments. A micrometer-sized optical element provides the active spectroscopic analysis. The resulting MOC sensor is no larger than two standard AAA batteries yet is capable of operating in high temperature and pressure conditions while providing accurate spectroscopic compositional analysis comparable to a laboratory Fourier transform infrared spectrometer.
Engineering Nitrogen-Vacancy Centers Near The Surface Of Diamond For Coupling To Optical Microcavities (2010)

The optical properties of nitrogen-vacancy centers created nanometers from the surface of diamond are investigated. Deterministic control of the charge state is demonstrated and recent progress toward coupling single centers to cavities is presented.
38‐4: The Interfacial Effect between HTL and EML on the Efficiency of Solution Processed Green Phosphorescent OLEDs (2016)

We have fabricated highly efficient green phosphorescent organic light‐emitting diodes by solution process. Very interestingly, we found that the device efficiency is affected by interface between hole transport layer (HTL) and emission layer (EML). It was proved through spin cleaning process of cross‐linkable HTL after curing which may affect the interface mixing. In addition, we tried to add complement layer to manipulate such effects. As a result, we significantly improved device efficiency (up to 72.7 cd/A) after spin cleaning process of the cross‐linkable HTL material.
Lowest Electronic Excited States of Platinum(II) Diimine Complexes (2000)

Absorption and emission spectra of Pt(diimine)L2 complexes (diimine = 2,2'-bipyridine (bpy) or 4,4'-dimethyl-2,2'-bipyridine (dmbpy); L = pyrazolate (pz-), 3,5-dimethylpyrazolate (dmpz-), or 3,4,5-trimethylpyrazolate (tmpz-)) have been measured. Solvent-sensitive absorption bands (370-440 nm) are attributed to spin-allowed metal-to-ligand charge-transfer (1MLCT) transitions. As solids and in 77 K glassy solution, Pt(bpy)(pz)2 and Pt(dmbpy)(pz)2 exhibit highly structured emission systems (lambda max approximately 494 nm) similar to those of the diprotonated forms of these complexes. The highly structured bands (spacings 1000-1400 cm-1) indicate that the transition originates in a diimine-centered 3(pi-->pi*) (3LL) excited state. The intense solid-state and 77 K glassy solution emissions from 3MLCT[d(Pt)-->pi*(bpy)] excited states of complexes with dmpz- and tmpz- ligands occur at longer wavelengths (lambda max = 500-610 nm), with much broader vibronic structure. These findings are consistent with increasing electron donation of the pyrazolate ligands, leading to a distinct crossover from a lowest 3LL to a 3MLCT excited state.
A Laser Flash Photolysis Study of a Carbene−Ether Ylide (2001)

Laser flash photolysis (308 nm) of carbomethoxy-2-naphththyldiazomethane in deoxygenated Freon-113 (CF2ClCFCl2) solution containing tetrahydrofuran (THF) produces a transient spectrum with a sharp absorption maximum at 330 nm and a shoulder at 375 nm. The observed rate constant of formation of transient absorption is the same at 330 and 400 nm. The transient spectrum is the same 100 ns, 1 μs, and 10 μs after the laser pulse at ambient temperature and is attributable to a single carrier. The transient shows little decay over 10 μs in the presence and absence of oxygen. Similar results were obtained at −60° C. This pattern of observations is not consistent with assigning the transient to triplet carbomethoxy-2-naphthylcarbene or its related radical. The rate constant of formation of the transient, kTHF, is first order in the concentration of THF; thus, the transient is attributed to a carbene−ether ylide. To our knowledge, this is the first direct observation of a carbene-ether ylide. An Arrhenius plot of kTHF is nonlinear due to a change in mechanism of the reaction of the carbene with THF or to reversion of the ylide to carbene and THF at elevated temperatures.
Illuminating the Mechanism for Sub-Bandgap Absorption in Chalcogen Doped Silicon Materials for PV Applications (2009)

We apply the technique of extended x-ray absorption fine structure (EXAFS) spectroscopy to measure the chemical state of selenium atoms in highly doped silicon. Coating the surface of crystalline silicon with metallic selenium and irradiating it with a femtosecond-laser results in high concentrations of selenium (~1020 atoms cm-3) in the near-surface layer. After laser irradiation, this material demonstrates near unity optical absorption for all measurable wavelengths (400-2500 nm) including below the fundamental bandgap of elemental Si. Further annealing results in a decrease of absorption in the infrared portion of the spectrum. We report on the apparent evolution of the chemical state of the Se atoms as the material is annealed. Comparisons with absorption measurements suggest a direct correlation of the optical properties and chemical state of Se in highly doped Si, suggesting that the absorption enhancement is related to the local environment of the dopant.
Pre‐admission management of acute gastroenteritis (1996)

Oral rehydration therapy is utilized rarely and medications are over-utilized in home management of gastroenteritis. Education of parents, general practitioners and hospital doctors is essential to optimize outpatient management. The impact of optimal outpatient management on hospital admission rates and morbidity requires formal assessment.
Molecular biology of the 5‐HT1 receptor subfamily (1992)

Abstract Four serotonin receptor clones have now been isolated and characterized. They encode the serotonin 5‐HT 1A , 5‐HT 1C , 5‐HT 1D , and 5‐HT 2 receptors. The serotonin 5‐HT 1C receptor, which was originally classified as a 5‐HT 1 receptor, is now seen to be a member of the 5‐HT 2 receptor subfamily. Within the current 5‐HT 1 receptor subfamily, the two clones that have been described (5‐HT 1A and 5‐HT 1D ) show similarities in amino acid sequence and function but are not as closely related as might have been expected. The human 5‐HT 1D receptor clone, when expressed in mouse fibroblast cells, displays pharmacological binding properties in agreement with human cortical membrane preparations. Sumatriptan, a new antimigraine medication, exhibits an apparent dissociation constant of 3.4 nM at this human receptor site. This represents the highest affinity interaction yet identified for this drug, and suggests that significant species differences may exist in the binding of this compound to 5‐HT 1D receptors. Similar species differences in ergot drug affinities have been described for the 5‐HT 2 receptor. Deduced amino acid sequence homologies between serotonin and other monoamine receptor clones are discussed, leading to a classification scheme for serotonin receptors involving superfamily, family, and subfamily relationships. © 1992 Wiley‐Liss, Inc.
Using GPT-4 in Parameter Selection of Materials Informatics: Improving Predictive Accuracy Amidst Data Scarcity and 'Ugly Duckling' Dilemma (2023)

Materials informatics and cheminformatics struggle with data scarcity, hindering the extraction of significant relationships between structures and properties. The "Ugly Duckling" theorem, suggesting the difficulty of data processing without assumptions or prior knowledge, exacerbates this problem. Current methodologies don't entirely bypass this theorem and may lead to decreased accuracy with unfamiliar data. We propose using Open AI GPT-4 language model for explanatory variable selection, leveraging its extensive knowledge and logical reasoning capabilities to embed domain knowledge in tasks predicting structure-property correlations, such as the refractive index of polymers. This can partially overcome challenges posed by the "Ugly Duckling" theorem and limited data availability.
Rare long-term survivors of pancreatic adenocarcinoma without curative resection (2015)

Long-term outcome data in pancreatic adenocarcinoma are predominantly based on surgical series, as resection is currently considered essential for long-term survival. In contrast, five-year survival in non-resected patients has rarely been reported. In this report, we examined the incidence and natural history of ≥ 5-year survivors with non-resected pancreatic adenocarcinoma. All patients with pancreatic adenocarcinoma who received oncologic therapy alone without surgery at our institution between 1995 and 2009 were identified. Non-resected ≥ 5-year survivors represented 2% (11/544) of all non-resected patients undergoing treatment for pancreatic adenocarcinoma, and 11% (11/98) of ≥ 5-year survivors. Nine patients had localized tumor and 2 metastatic disease at initial diagnosis. Disease progression occurred in 6 patients, and the local tumor bed was the most common site of progression. Six patients suffered from significant morbidities including recurrent cholangitis, second malignancy, malnutrition and bowel perforation. A rare subset of patients with pancreatic cancer achieve long-term survival without resection. Despite prolonged survival, morbidities unrelated to the primary cancer were frequently encountered and a close follow-up is warranted in these patients. Factors such as tumor biology and host immunity may play a key role in disease progression and survival.
Clinical performance of contrast enhanced abdominal pediatric MRI with fast combined parallel imaging compressed sensing reconstruction (2013)

A fast combined parallel imaging compressed sensing method is feasible in a pediatric clinical setting. Preliminary results suggest it may improve structural delineation over parallel imaging.
A non-destructive visual failure analysis technique for cracked BGA interconnects (2004)

Quickly determining the cause of open failures in assembled BGAs is critical to the success of electronics manufacturing. The use of larger, stiffer components with more flexible printed circuit boards only increases the chance of mechanically fracturing interconnects during assembly and test. The use of BGA endoscopes during visual inspection has expanded over the last several years to evaluate the quality of assembled BGAs. Visual inspection alone, however. does not reveal all open defects. This paper describes a new technique that enables the non-destructive localization of opens that are not typically visible due to shadowing, flux residue, or soldermask. The technique involves applying a small, controlled, upward force to the BGA substrate to separate and ‘see’ the displacement of the pre-existing fractured surfaces. It has been shown through experimental results for several package styles that this controlled force technique can be used to localize the cracked interface without causing damage to previously good interconnects.
SOBEX (2009)

Service-oriented architecture (SOA) is emerging as a paradigm for developing distributed application. As the development of hardware and software technology, fast increasing of peers or services has issued critical problems for the popularity of SOA. One is system scalability and robustness, and the other one is service location validation. In this paper, we introduce-SOBEX -a web service search engine which designs a distributed indexing structure SIKA, and proposes proactive web services reuse mechanism by introducing service context model SPOT.
Nanoparticles in the clinic: An update (2019)

Nanoparticle drug delivery systems have been used in the clinic since the early 1990's. Since that time, the field of nanomedicine has evolved alongside growing technological needs to improve the delivery of various therapeutics. Over these past decades, newer generations of nanoparticles have emerged that are capable of performing additional delivery functions that can enable treatment via new therapeutic modalities. In the current clinical landscape, many of these new generation nanoparticles have reached clinical trials and have been approved for various indications. In the first issue of <i>Bioengineering & Translational Medicine</i> in 2016, we reviewed the history, current clinical landscape, and clinical challenges of nanoparticle delivery systems. Here, we provide a 3 year update on the current clinical landscape of nanoparticle drug delivery systems and highlight newly approved nanomedicines, provide a status update on previous clinical trials, and highlight new technologies that have recently entered the clinic.
Residual Recovery Algorithm for Modulo Sampling (2022)

Two important attributes of analog to digital converters (ADCs) are its sampling rate and dynamic range. The sampling rate should be greater than or equal to the Nyquist rate for bandlimited signals with bounded energy. It is also desired that the signals’ dynamic range should be within that of the ADC’s; otherwise, the signal will be clipped. A modulo operator has been recently suggested prior to sampling to restrict the dynamic range. Due to the nonlinearity of the modulo operation, the samples are distorted. Existing recovery algorithms to recover the signal from its modulo samples operate at a high sampling rate and are not robust in the presence of noise. In this paper, we propose a robust algorithm to recover the signal from the modulo samples which operates at lower sampling rate compared to existing techniques. We also show that our method has lower error compared to existing approaches for a given sampling rate, noise level, and dynamic range of the ADC. Our results lead to less constrained hardware design to address dynamic range issues while operating at the lowest rate possible.
Ligand-controlled divergent dehydrogenative reactions of carboxylic acids via C–H activation (2021)

Dehydrogenative transformations of alkyl chains to alkenes through methylene carbon-hydrogen (C–H) activation remain a substantial challenge. We report two classes of pyridine-pyridone ligands that enable divergent dehydrogenation reactions through palladium-catalyzed β-methylene C–H activation of carboxylic acids, leading to the direct syntheses of α,β-unsaturated carboxylic acids or γ-alkylidene butenolides. The directed nature of this pair of reactions allows chemoselective dehydrogenation of carboxylic acids in the presence of other enolizable functionalities such as ketones, providing chemoselectivity that is not possible by means of existing carbonyl desaturation protocols. Product inhibition is overcome through ligand-promoted preferential activation of C(sp<sup>3</sup>)–H bonds rather than C(sp<sup>2</sup>)–H bonds or a sequence of dehydrogenation and vinyl C–H alkynylation. The dehydrogenation reaction is compatible with molecular oxygen as the terminal oxidant.
Non‐Local Image Reconstruction for Efficient Computation of Synthetic Bidirectional Texture Functions (2013)

Abstract Visual prototyping of materials is relevant for many computer graphics applications. A large amount of modelling flexibility can be obtained by directly rendering micro‐geometry. While this is possible in principle, it is usually computationally expensive. Recently, bidirectional texture functions (BTFs) have become popular for efficient photorealistic rendering of surfaces. We propose an efficient system for the computation of synthetic BTFs using Monte Carlo path tracing of micro‐geometry. We observe that BTFs usually consist of many similar apparent bidirectional reflectance distribution functions. By exploiting structural similarity we can reduce rendering times by one order of magnitude. This is done in a process we call non‐local image reconstruction, which has been inspired by non‐local means filtering. Our results indicate that synthesizing BTFs is highly practical and may currently only take a few minutes for BTFs with 70 × 70 viewing and lighting directions and 128 × 128 pixels.
A MONOLITHIC 162-STAGE TWO-PART KNUDSEN PUMP FOR HIGH COMPRESSION RATIO (2012)

This paper r motionless, therm single chip. Th wafer process an self-evacuation o Torr to 7 Torr. compression rati best report, with performance is m separately custom
Supplementary Data from Intra–Lymph Node Prime-Boost Vaccination against Melan A and Tyrosinase for the Treatment of Metastatic Melanoma: Results of a Phase 1 Clinical Trial (2023)

&lt;p&gt;Supplementary Figures S1-S5; Supplementary Tables S1-S2.&lt;/p&gt;