gebhart/patrepeval huggingface dataset:
Characterization of polychloroprenes and cationically modified polychloroprenes by thermal dehydrochlorination (1980)

Abstract Thermal dehydrochlorination of polychloroprenes and modified polychloroprenes was studied and was found to be rapid, readily reproducible, and reliable for the characterization of these rubbers. The rates of thermal dehydrochlorination of polychloroprenes and modified polychloroprenes are first order at 190°C under nitrogen. Significantly, the plot of dehydrochlorination rate ( V HCl ) versus dehydrochlorination extent (ζHCl) for polychloroprenes shows three regions. These data may be attributed to three dehydrochlorination regimes associated with four contributing repeat structures that have been identified by 13 C‐NMR spectroscopy: magnified image In contrast to polychloroprene, V HCl vs. ζ HCl plots for modified (cyclopentadienylated and grafted) polychloroprenes, i.e., polychloroprenes that do not contain allylic chlorines, exhibit only one region suggesting only one dehydrochlorination mechanism in these materials. The slopes of the V HCl vs. ζ HCl plots of the modified polychloroprenes are virtually identical. Moreover, the slopes of the V HCl vs. ζ HCl plots for modified polychloroprenes and that of the latest of the three regions for unmodified polychloroprene are indistinguishable. This similarity in the V HCl vs. ζ HCl curves suggests dehydrochlorination by a fundamentally similar mechanism in these materials, most likely one involving the CH 2 C(Cl)CHCH 2  structure common to all of them. Concentration of labile chlorines in polychloroprene may be estimated by the differences in the dehydrochlorination kinetics of polychloroprene and modified polychloroprenes.
Three-dimensional structure of a sarcoplasmic calcium-binding protein from Nereis diversicolor. (1991)

The three-dimensional structure of a sarcoplasmic Ca2(+)-binding protein from the sandworm Nereis diversicolor has been determined at 3.0 A resolution using multiple isomorphous replacement techniques. The NH2-terminal half of the molecule contains one variant Ca2(+)-binding domain with a novel helix-loop-helix conformation and one Ca2(+)-binding domain that is no longer functional because of amino acid changes. The overall conformation of this pair of domains is different from any previously described Ca2(+)-binding protein. The COOH-terminal half of the protein contains two Ca2(+)-binding domains with the usual helix-loop-helix configuration and is similar to calmodulin and troponin C. Unlike calmodulin or troponin C, there is no exposed alpha-helix connecting the two halves of the molecule, so the overall structure is much more compact.
Cover Feature: Towards Size‐Controlled Deposition of Palladium Nanoparticles from Polyoxometalate Precursors: An Electrochemical Scanning Tunneling Microscopy Study (ChemElectroChem 7/2021) (2021)

The Cover Feature illustrates a novel in situ electrochemical approach to deposit small size-controlled palladium(0) clusters from palladium-oxo-metalate precursors. Their formation by reductive surface polarization of a Au(111) support is explored by electrochemical scanning tunneling microscopy (EC-STM). More information can be found in the Article by N. Bock et al.
Fundamental Interface Properties in OFETs: Bonding, Structure and Function of Molecular Adsorbate Layers on Solid Surfaces (2009)

This chapter contains sections titled: Introduction Bonding Structure Function Conclusion Acknowledgements References
Gangliosides Are Essential for Bovine Adeno-Associated Virus Entry (2006)

Recombinant adeno-associated viruses (AAV) are promising gene therapy vectors. We have recently identified a bovine adeno-associated virus (BAAV) that demonstrates unique tropism and transduction activity compared to primate AAVs. To better understand the entry pathway and cell tropism of BAAV, we have characterized the initial cell surface interactions required for transduction with BAAV vectors. Like a number of AAVs, BAAV requires cell surface sialic acid groups for transduction and virus attachment. However, glycosphingolipids (GSLs), not cell surface proteins, were required for vector entry and transduction. Incorporation of gangliosides, ceramide-based glycolipids containing one or more sialic acid groups, into the cytoplasmic cell membranes of GSL-depleted COS cells partially reconstituted BAAV transduction. The dependency of BAAV on gangliosides for transduction was further confirmed by studies with C6 cells, a rat glioma cell line that is deficient in the synthesis of complex gangliosides. C6 cells were resistant to transduction by BAAV. Addition of gangliosides to C6 cells prior to transduction rendered the cells susceptible to transduction by BAAV. Therefore, gangliosides are a likely receptor for BAAV.
A Comprehensive Map of CNS Transduction by Eight Recombinant Adeno-associated Virus Serotypes Upon Cerebrospinal Fluid Administration in Pigs (2015)

Cerebrospinal fluid administration of recombinant adeno-associated viral (rAAV) vectors has been demonstrated to be effective in delivering therapeutic genes to the central nervous system (CNS) in different disease animal models. However, a quantitative and qualitative analysis of transduction patterns of the most promising rAAV serotypes for brain targeting in large animal models is missing. Here, we characterize distribution, transduction efficiency, and cellular targeting of rAAV serotypes 1, 2, 5, 7, 9, rh.10, rh.39, and rh.43 delivered into the cisterna magna of wild-type pigs. rAAV9 showed the highest transduction efficiency and the widest distribution capability among the vectors tested. Moreover, rAAV9 robustly transduced both glia and neurons, including the motor neurons of the spinal cord. Relevant cell transduction specificity of the glia was observed after rAAV1 and rAAV7 delivery. rAAV7 also displayed a specific tropism to Purkinje cells. Evaluation of biochemical and hematological markers suggested that all rAAV serotypes tested were well tolerated. This study provides a comprehensive CNS transduction map in a useful preclinical large animal model enabling the selection of potentially clinically transferable rAAV serotypes based on disease specificity. Therefore, our data are instrumental for the clinical evaluation of these rAAV vectors in human neurodegenerative diseases.
Experimental measurements of the coherent field resulting from the interaction of an ultrasonic shock wave with a multiple scattering medium (2013)

Whereas multiple scattering and shock wave formation are known to be antagonistic phenomena, this work concentrates on the interaction of an ultrasonic shock wave with a random multiple scattering medium. The shock wave is generated by long distance propagation of a short pulse (four periods at a 3.5 MHz central frequency) in water before it encounters the scattering medium (a slab-shaped random set of parallel metallic rods). Transmitted waves are recorded over hundreds of positions along the lateral dimension of the slab to estimate the ensemble-averaged transmitted field 〈Φ(t)〉, also known as the coherent wave. Experiments are repeated for different thicknesses L of the slab and different emission amplitudes. The elastic mean free path le (i.e., the typical distance for the decreasing of the coherent intensity ∣〈Φ(t)〉∣2 due to scattering) is determined as well as the harmonic rate of the averaged transmitted wave. Experimental results are discussed and compared to the linear case.
Identification of Flame Transfer Functions From LES of a Premixed Swirl Burner (2010)

Large eddy simulations of compressible, turbulent, reacting flow were carried out in order to identify the Flame Transfer Function (FTF) of a premixed swirl burner at different power ratings. The Thickened Flame model with one step kinetics was used to model combustion. Time-averaged simulation results for inert and reacting flow cases were compared with experimental data for velocity and heat release distribution with good agreement. Heat losses at the combustor walls were found to have a strong influence on computed flame shapes and spatial distributions of heat release. For identification of the FTF with correlation analysis, broadband excitation was imposed at the inlet. At low power rating (30 kW), measured and computed FTFs agree very well at low frequencies (corresponding to Strouhal numbers St &lt; 4), showing a pronounced maximum of the gain at St ≈ 2. At higher frequencies, where the flame response weakens, the agreement between experiment and computation deteriorates, presumably due to decreasing signal-to-noise ratio. At higher thermal power (50 kW), a high-frequency instability developed during the simulation runs, resulting in poor overall signal-to-noise ratio and thus to unsatisfactory prediction of the gain of the flame transfer function. The phase of the FTF, on the other hand, was predicted with good accuracy up to St &lt; 5. An analytical expression for the FTF, which models the flame dynamics as a superposition of time-delayed responses to perturbations of mass flow rate and swirl number, respectively, was found to match the experimental results.
DNA Barcoding a Complete Matrix of Stereoisomeric Small Molecules (2019)

It is challenging to incorporate stereochemical diversity and topographic complexity into DNA-encoded libraries (DELs) because DEL syntheses cannot fully exploit the capabilities of modern synthetic organic chemistry. Here, we describe the design, construction, and validation of DOS-DEL-1, a library of 107 616 DNA-barcoded chiral 2,3-disubsituted azetidines and pyrrolidines. We used stereospecific C-H arylation chemistry to furnish complex scaffolds primed for DEL synthesis, and we developed an improved on-DNA Suzuki reaction to maximize library quality. We then studied both the structural diversity of the library and the physicochemical properties of individual compounds using Tanimoto multifusion similarity analysis, among other techniques. These analyses revealed not only that most DOS-DEL-1 members have "drug-like" properties, but also that the library more closely resembles compound collections derived from diversity synthesis than those from other sources (e.g., commercial vendors). Finally, we performed validation screens against horseradish peroxidase and carbonic anhydrase IX, and we developed a novel, Poisson-based statistical framework to analyze the results. A set of assay positives were successfully translated into potent carbonic anhydrase inhibitors (IC<sub>50</sub> = 20.1-68.7 nM), which confirmed the success of the synthesis and screening procedures. These results establish a strategy to synthesize DELs with scaffold-based stereochemical diversity and complexity that does not require the development of novel DNA-compatible chemistry.
Percutaneous stent placement for treatment of stenosis of a portacaval H-graft shunt. (1995)

Surgical treatment of an occluded or stenotic portacaval shunt carries a high risk of mortality, but the rate of restenosis after transluminal angioplasty is also high. The authors report high-grade stricture of a portacaval H-graft shunt in a 51-year-old man, who presented with hematemesis and melena. The patient was treated with concomitant balloon angioplasty and placement of a metallic stent through a percutaneous venous approach. The procedure was tolerated well by the patient, and stenosis had not recurred at follow-up 1 year later.
Formation of Biotinylated Alkylthiolate Self-Assembled Monolayers on Gold (2005)

The formation of mixed self-assembled monolayers (SAMs) from novel biotinylated alkylthiols (BAT) and diluent triethyleneglycol (TEG) alkylthiols on gold has been accomplished using aqueous solvents. We compare the effects of aqueous and ethanolic solvents on the binding performance of mixed SAMs and the integrity of monolayers formed. We use cyclic voltammetry (CV) and fluorescence microscopy to characterize the films. Comparison of fluorescence data between solution mixtures of alkylthiols in various concentrations of ethanol and water solvent indicates that functional SAMs may be formed at ethanolic solvent compositions as low as 2% in water. In addition, CV data indicate that SAMs adsorbed from aqueous solution form faster and have fewer defects than those formed using ethanol.
Ultralow-power data compression for implantable bladder pressure monitor: Algorithm and hardware implementation (2016)

Urinary incontinence, overactive bladder, and other dysfunctions of the lower urinary tract are conditions which affect millions worldwide, imposing a high financial burden and greatly affecting quality of life. Diagnosis of these conditions can be facilitated by monitoring bladder activity over time. Recent work has demonstrated the feasibility of device implantation for chronic bladder pressure monitoring, which can help to improve existing diagnostic techniques. For wireless implants, a significant portion of the implant power consumption results not from pressure sensing, but rather from data transmission. In this paper, we present a novel algorithm which is designed to perform efficient, on-chip compression of bladder pressure data with tunable quality, resulting in significant overall power savings. We validate our approach by applying the algorithm to prerecorded bladder pressure data from 14 human subjects, and demonstrate high average compression ratios (~5x), leading to similar reductions in transmission power draw, with low reconstruction error (RMSE <b xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">≈</b> 1.09). An ultralow-power hardware implementation of the proposed algorithm is obtained by synthesizing the design with TSMC 0.18 μm technology, yielding an area of 1.34 mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> and average power of 2.3 nW using low power design techniques. To our knowledge, this is the first example of dedicated on-chip compression for bladder pressure data designed for an ultralow-power biomedical implant.
Relativity of Redox Potential and Reactivity of Thermophilic Cytochrome P450 using a Direct Electron Donating System with NADH (2008)

Abstract not Available.
Alpha-1 antitrypsin treatment of new-onset type 1 diabetes: An open-label, phase I clinical trial (RETAIN) to assess safety and pharmacokinetics (2018)

AAT was well tolerated and safe in subjects with new-onset type 1 diabetes. Weekly doses of AAT greater than 90 mg/kg may be necessary for an optimal therapeutic effect.
Probing structural evolution along multidimensional reaction coordinates with femtosecond stimulated Raman spectroscopy (2011)

Mapping out multidimensional potential energy surfaces has been a goal of physical chemistry for decades in the quest to both predict and control chemical reactivity. Recently a new spectroscopic approach called Femtosecond Stimulated Raman Spectroscopy or FSRS was introduced that can structurally interrogate multiple dimensions of a reactive potential energy surface. FSRS is an ultrafast laser technique which provides complete time-resolved, background-free Raman spectra in a few laser shots. The FSRS technique provides simultaneous ultrafast time (~50 fs) and spectral (~8 cm(-1)) resolution, thus enabling one to follow reactive structural evolutions as they occur. In this perspective we summarize how FSRS has been used to follow structural dynamics and provide mechanistic detail on three classical chemical reactions: a structural isomerization, an electron transfer reaction, and a proton transfer reaction.
Bandwidth bandit: Understanding memory contention (2012)

Applications that are co-scheduled on a multicore compete for shared resources, such as cache capacity and memory bandwidth. The performance degradation resulting from this contention can be substantial, which makes it important to effectively manage these shared resources. This, however, requires insight into how applications are impacted by such contention. In this paper we present a quantitative method to measure applications' sensitivities to different degrees of contention for off-chip memory bandwidth on real hardware. This method is then used to demonstrate the varying contention sensitivity across a selection of benchmarks, and explains why some of them experience substantial slowdowns long before the overall memory bandwidth saturates.
LTE release 14 outlook (2016)

Today's 4G LTE systems bring unprecedented mobile broadband performance to over a billion of users across the globe. Recently, work on a 5G mobile communication system has begun, and next to a new 5G air interface, LTE will be an essential component. The evolution of LTE will therefore strive to meet 5G requirements and to address 5G use cases. In this article, we provide an overview of foreseen key technology areas and components for LTE Release 14, including latency reductions, enhancements for machine-type communication, operation in unlicensed spectrum, massive multi-antenna systems, broadcasting, positioning, and support for intelligent transportation systems.
Influence of Car Body for Car Window Antenna (2018)

In this paper, we examine the influence of the car body on the antenna characteristics required for car window antenna design. In order to investigate the influence, we compare the model which is truncated only around the windshield with the whole car model. As a result, it is found that the analysis result equivalent to the whole car model can be obtained and it can be analyzed with less computational cost by using the truncated model.
Additions and Corrections - Structure and Tunneling Dynamics of Malonaldehyde. A Theoretical Study. (1983)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAdditions and Corrections - Structure and Tunneling Dynamics of Malonaldehyde. A Theoretical Study.Jozef Bicerano, Henry Schaefer III, and William MillerCite this: J. Am. Chem. Soc. 1983, 105, 25, 7474Publication Date (Print):November 1, 1983Publication History Published online26 April 2004Published inissue 1 November 1983https://pubs.acs.org/doi/10.1021/ja00363a601https://doi.org/10.1021/ja00363a601research-articleACS PublicationsRequest reuse permissionsArticle Views35Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Critical process issues in selenization (2002)

Both H/sub 2/Se and elemental selenium are used to form copper-indium diselenide. Equilibrium thermodynamic calculations for H/sub 2/Se dissociation show that the higher-order Se/sub x/ species (Se/sub 5/, Se/sub 6/, Se/sub 7/) are important at temperatures below 800 K, whereas Se/sub 2/ becomes the predominant species at temperatures above 900 K. A kinetic model is presented for the decomposition of H/sub 2/Se. The reaction is found to be first order at short times, but the reverse reaction of Se/sub x/ with H/sub 2/ assumes importance at higher conversions and longer times. The constants in the kinetic model are calculated.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Workload characterization: A key aspect of microarchitecture design (2006)

Micro editor in chief Pradip Bose talks about the issue of workload characterization in the modern setting.
Early prediction and longitudinal modeling of preeclampsia from multiomics (2022)

Preeclampsia is a complex disease of pregnancy whose physiopathology remains unclear. We developed machine-learning models for early prediction of preeclampsia (first 16 weeks of pregnancy) and over gestation by analyzing six omics datasets from a longitudinal cohort of pregnant women. For early pregnancy, a prediction model using nine urine metabolites had the highest accuracy and was validated on an independent cohort (area under the receiver-operating characteristic curve [AUC] = 0.88, 95% confidence interval [CI] [0.76, 0.99] cross-validated; AUC = 0.83, 95% CI [0.62,1] validated). Univariate analysis demonstrated statistical significance of identified metabolites. An integrated multiomics model further improved accuracy (AUC = 0.94). Several biological pathways were identified including tryptophan, caffeine, and arachidonic acid metabolisms. Integration with immune cytometry data suggested novel associations between immune and proteomic dynamics. While further validation in a larger population is necessary, these encouraging results can serve as a basis for a simple, early diagnostic test for preeclampsia.
Model-based head tracking and coding (2002)

This thesis treats two topics in model-based coding; coding of facial textures (Part 1) and real-time head tracking (Part 2).In Part 1, it is shown that a face image can be efficiently coded using ...
Contact and line resistivity in nanogranular compound materials fabricated with focused electron beam induced processing (2017)

Using organometallic compounds and an electron beam of high power density, novel nano-granular compound materials were fabricated with nm precision in a slow step deposition process. We investigate the electrical characteristics of the compound-material and found out that the measured resistivity can only be explained as a contact resistivity from the deposited material to the metal contact, which is used to connect the nano-wires to the standard measuring equipment. In our experiments, no line resistivity was observed, but only a contact resistivity, which was dependent on the overlap area of the contact wire and the deposited compound material. The deposition by Focused Electron Beam Induced Processing (FEBIP), with is a slow fabrication method, was performed at room temperature, as it were the measurements. 4-point measurements revealed no resistivity of the nano-wires, but only the contact resistance of the lines to the gold contacts.