gebhart/patrepeval huggingface dataset:
Reactivity of Lattice Oxygens Present in V<sub>2</sub>O<sub>5</sub>(010):  A Periodic First-Principles Investigation (1999)

The present paper deals with the periodic first-principles density functional (DFT) calculations on hydrogen adsorption on the V2O5(010) surface. The calculated results reveal that the vanadyl oxygen is the most active site for hydrogen adsorption among the three kinds of structurally different lattice oxygens in terms of their coordination with vanadiums. Our calculated harmonic vibrational frequencies of the three types of OH species are found to correlate with their corresponding bond strengths and support their respective reactivity. It is confirmed that the lattice relaxation contributes to the reactivity of the oxygens significantly in all cases while the local environment of adsorption site affects both the geometry and reactivity of the adsorption system only in the case of tricoordinated oxygen. Hydrogen adsorption at these oxygens reduces the surface in different ways. Comparison of the desorption ability of the OH species from the surface shows that removal of the O1H species, formed by H adsorption at vanadyl oxygen, is energetically preferable. The present work demonstrates that the periodic approach gets rid of the artifacts of the cluster method, and thus, first-principles DFT methodology demonstrates its reliability to investigate geometric, electronic, and catalytic properties of transition metal oxide catalysts.
Low molecular weight heparin (1996)

1Institute for Laboratory Medicine, Städt. Klinikum, D-64823 Darmstadt, Grafenstr. 9, Germany; 2Internistische Gemeinschaftspraxis, D-70191 Stuttgart, Wolframstr. 60/61, Germany
A rapid and simple method for assay of nematicidal activity and its application to measuring the activities of dicarboxylic esters. (1981)

A rapid and simple method for assaying nematicidal activity was devised. This method is based on living nematodes descending through Japanese paper. Amongdicarboxylic esters tested against a root lesion nematode Prathylenchus coffeae, di-n-propyl, di-w-butyl and di-n-amyl succinates, and di-n-butyl esters derived from dicarboxylic acids showed marked nematicidal activities.
Localization of vasa, a component of <i>Drosophila</i> polar granules, in maternal-effect mutants that alter embryonic anteroposterior polarity (1990)

Cytoplasm at the posterior pole of the early Drosophila embryo, known as polar plasm, serves as a source of information necessary for germ cell determination and for specification of the abdominal region. Likely candidates for cytoplasmic elements important in one or both of these processes are polar granules, organelles concentrated in the cortical cytoplasm of the posterior pole. Females homozygous for any one of the maternal-effect mutations, tudor, oskar, staufen, vasa, or valois give rise to embryos that lack localized polar granules, fail to form the germ cell lineage and have abdominal segment deletions. Using antibodies against a polar granule component, the vasa protein, we find that vasa synthesis or localization is affected by these mutations. In vasa mutants, synthesis of vasa protein is absent or severely restricted. In oskar and staufen mutant females, vasa synthesis appears normal, but the vasa protein is not localized. In tudor and valois mutant females, vasa is localized to the posterior pole of oocytes, but this localization is lost following egg activation. In addition to the posterior localized vasa, there is a low level of vasa distributed throughout the embryo. A function for this distributed vasa is postulated based on the observation that embryos from Bicaudal-D mothers, in which abdominal determinants are incorrectly localized to the anterior pole, do not show any ectopic vasa localization, though abdomen development at the anterior end depends on the amount of vasa protein in the embryo.
Fabrication of Multimeasurand Sensor for Monitoring of a Li-Ion Battery (2018)

This paper details the fabrication and testing of a combined temperature and expansion sensor to improve state of charge (SOC) and state of health (SOH) estimation for Li-ion batteries. These sensors enable the characterization of periodic stress and strain changes in the electrode materials of Lithium-ion batteries during the charge and discharge process. These ultrathin sensors are built on a polyimide substrate which can enable direct integration between cells without compromising safety or cell cooling design. Leveraging the sensor design and fabrication process used to create inductive coil eddy current (EC) sensors for crack detection, these sensors were characterized on three Panasonic 5 A-h cells showing the capability to measure expansion of Li-ion batteries. By sensing the intercalation effects, which cause cell expansion, improvements in estimation of SOH and SOC can be enabled through the use of physics-based battery models, which combine the thermal, mechanical, and electrochemical aspects of its operation.
High-speed parallel CRC circuits in VLSI (1992)

The use of VLSI technology to speed up cyclic redundancy checking (CRC) circuits used for error detection in telecommunications systems is investigated. By generalizing the analysis of a parallel prototype, performance is estimated over a wide range of external constraints and design choices. It is shown that parallel architectures fall somewhat short of ideal speedups in practice, but they should still enable current CMOS technologies to go well beyond 1 Gb/s data rates.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Zero-Latency Data Warehousing for Heterogeneous Data Sources and Continuous Data Streams. (2003)

In this paper, a framework for building an overall Zero-Latency Data Warehouse system (ZLDWH) is provided. Such a ZLDWH requires tasks such as data changes detection, continuous loading and updating of new data, autonomous analysis and the execution of actions to be completed in the Data Warehouse (DWH). For this purpose, we combine (1) an existing solution for the continuous data integration and (2) the known approach of Active Data Warehousing (ADWH) by introducing protocols that enable the correct collaboration between the two. The continuous data integration is realized on the one hand by asynchronous communication between multiple information sources and the DWH through a message queuing system, and on the other hand by the continuous loading and updating. To obtain a low-latency time for this cycle, an “active rule evaluation” is provided between the data feeding stage and its loading into the DWH. This is realized by applying ECA-Techniques (EventCondition-Action) to obtain a more “active” characteristic of the DWH. A second goal of this paper is to take into consideration a special class of information source namely continuous data streams. Continuous data streams are information sources in which data arrives in high-volume, rapidly, bursty, and needs to be processed continuously. Therefore novel protocols and techniques are needed for capturing, storing and evaluate analysis decision based on new coming data from such continuous data stream sources.
Evaluation of the Drug Treatment and Persistence of Onychomycosis (2004)

Onychomycosis is a common nail disease responsible for approximately 50% of diseases of the nail. It occurs more in the elderly, though several cases have been reported among children. Several factors influence, such as climate, geography, and migration. The two dermatophytes most commonly implicated in onychomycosis are Trichophyton rubrum and T. mentagrophytes, accounting for more than 90% of onychomycoses. Nonetheless, several other toxigenic molds have been implicated. For convenience, onychomycosis is divided into four major clinical presentations: distal subungal, which is the most common form of the disease; proximal subungal, which is the most common form found in patients with human immunodeficiency virus infection; superficial; and total dystrophic onychomycosis. Epidemiology of onychomycosis in adults and children is evaluated and the most common clinical symptoms addressed. Although the risk factors are discussed, the multifactorial nature of onychomycosis makes this inexhaustible. The diagnosis and treatments are difficult and the choice of appropriate antifungal drugs complex and require the knowledge of the chemical structures of the metabolites of the molds that cause onychomycosis and their interaction with the antifungal drugs. This is true because most of the antifungal drugs are derived from mold/fungal metabolism. Treatment with griseofulvin and amphotericin is displaced by the use of newer drugs from azole compounds, pyrimidines, and allylamines derivatives. Amorolfine, itraconazole, and ciclopirox nail lacquer solution 8 have gained support globally, but the side effects, drug resistance, and persistence of the disease are still a serious concern to the patients, just as economics and quality of life. Hence, the search for safer and more efficacious drug treatments are continuing.
A nonlinear iterative beamforming technique for wireless communications (2003)

In this paper, we propose an iterative beamformer for multi-transmit, multi-receive wireless communications. The paper introduces an optimal MAP receiver with implementation complexity exponential in terms of the number of transmitting antennas, and a suboptimal nonlinear parallel interference cancelation scheme that significantly reduces the degradation effect of interference with implementation complexity linear in the number of transmitting antennas. The proposed receiver has a two-stage learning strategy: a linear beamforming phase using a short training sequence for learning the linear decision regions, and a nonlinear iterative scheme that makes use of the implicit form of supervision provided by a forward error-correction code (FEC) for tracking the nonlinear optimal decision boundaries. Simulations are provided as experimental evidence for the performance of the new receiver.
RELEASE OF ELECTRIC ENERGY IN PbNb(Zr, Ti, Sn)O3 BY TEMPERATURE- AND BY PRESSURE-ENFORCED PHASE TRANSITIONS (1963)

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Catalytic reduction of CO<sub>2</sub> by H<sub>2</sub> for synthesis of CO, methanol and hydrocarbons: challenges and opportunities (2015)

Controlling the catalytic reduction of CO<sub>2</sub> by H<sub>2</sub> to produce CO, methanol or hydrocarbons requires stabilization of key reaction intermediates.
Preparation of some mono‐ and diesters of n,n‐disubstituted amides and their evaluation as plasticizers (1978)

Abstract Mono‐ and diesters of fatty acid‐ and aromatic acid‐derived N,N‐disubstituted amides were prepared in which the acid moieties were alternately substituted to function as the basic amide moiety or the terminal ester moiety. Several of the esteramides were evaluated as plasticizers for polyvinyl chloride (PVC). The plasticized stocks exhibited properties that equaled, and in some instances were superior to PVC plasticized with the common plasticizer, di‐2‐ethylhexyl phthalate (DOP). The monoesters were more compatible than the diesters. Thermal stability was enhanced by the presence of the benzoic acid moiety in the molecule. Brittle point temperatures were shown to be a predictable characteristic for specific terminal groups, based on structural similarity of the basic molecule.
Concentrations of OPC-17116, a new fluoroquinolone antibacterial, in serum and lung compartments (1995)

The efficacy of an antibiotic is usually predicted from serum concentration and MICs for likely pathogens, but in the lung, tissue concentrations may be more relevant. This study compares concentrations of a new fluoroquinolone, OPC-17116, in serum, epithelial lining fluid (ELF), alveolar macrophages and bronchial mucosa, in 24 adults. OPC-17116 400 mg was given daily for 4 days, and diagnostic bronchoscopy was performed up to 13 h after the final dose. Mucosal biopsies were taken from macroscopically normal sites, alveolar macrophages were harvested by lavage, and ELF volume was derived from urea concentrations in bronchial lavage fluid and blood. A microbiological assay, using Escherichia coli, was used to assay OPC-17116 concentration in serum, bronchial mucosa, ELF and alveolar macrophages. The mean concentration of OPC-17116 in serum was 1.2 mg/L. Serum concentrations were significantly exceeded in bronchial mucosa (mean ratio 3.13) in ELF (mean ratio 12.21) and in macrophages (mean ratio 194.52). Penetrations of these compartments considerably exceeded those reported for other fluoroquinolones, and concentrations in all tissues were substantially higher than previously reported MIC90 levels for a variety of bacteria, including Streptococcus pneumoniae. A clinical role for OPC-17116 is suggested in a wide range of respiratory infections, including those due to intracellular bacteria.
Recombinant protein production in a variety of <i>Nicotiana</i> hosts: a comparative analysis (2010)

Although many different crop species have been used to produce a wide range of vaccines, antibodies, biopharmaceuticals and industrial enzymes, tobacco has the most established history for the production of recombinant proteins. To further improve the heterologous protein yield of tobacco platforms, transient and stable expression of four recombinant proteins (i.e. human erythropoietin and interleukin-10, an antibody against Pseudomonas aeruginosa, and a hyperthermostable α-amylase) was evaluated in numerous species and cultivars of Nicotiana. Whereas the transient level of recombinant protein accumulation varied significantly amongst the different Nicotiana plant hosts, the variety of Nicotiana had little practical impact on the recombinant protein concentration in stable transgenic plants. In addition, this study examined the growth rate, amount of leaf biomass, total soluble protein levels and the alkaloid content of the various Nicotiana varieties to establish the best plant platform for commercial production of recombinant proteins. Of the 52 Nicotiana varieties evaluated, Nicotiana tabacum (cv. I 64) produced the highest transient concentrations of recombinant proteins, in addition to producing a large amount of biomass and a relatively low quantity of alkaloids, probably making it the most effective plant host for recombinant protein production.
Assessment of the 3D Localization of Metallic Nanoparticles in Pd/SiO<sub>2</sub> Cogelled Catalysts by Electron Tomography (2005)

The purpose of this study is to analyze the localization of palladium nanoparticles within their silica support, in two heterogeneous catalysts synthesized by the sol-gel process, with different metal loadings. Electron tomography demonstrates that the palladium particles are localized deep inside the silica skeleton. The use of digital image analysis further shows that the dispersion of palladium is optimal in the sample with the lowest loading. The particles are regularly spaced in the middle of the silica skeleton, with a distance between them comparable to the diameter of the struts of silica.
Polarization properties of corner-cube retroreflectors: theory and experiment (1997)

Polarization properties of the corner-cube retroreflector are discussed theoretically by use of ray tracing and analytical geometry. The Jones matrices and eigenpolarizations of the six propagation trips of the corner-cube retroreflector are derived. An experiment is also set up for the determination of the linear eigenpolarizations and the output states of polarization for incident linearly polarized light. The experimental results are consistent with theoretical expectations.
An Integrated Simulation Environment for Parallel and Distributed System Prototying (1999)

The process of designing parallel and distributed computer systems requires predicting performance in response to given workloads. The scope and inter action of applications, operating systems, communi cation networks, processors, and other hardware and software lead to substantial system complexity. De velopment of virtual prototypes in lieu of physical prototypes can result in tremendous savings, espe cially when created in concert with a powerful model development tool. When high-fidelity models of par allel architectures are coupled with workloads gener ated from real parallel application code in an execu tion-driven simulation, the result is a potent design and analysis tool for parallel hardware and software alike. This paper introduces the concepts, mechanisms, and results of an Integrated Simulation Environment (ISE) that makes possible the rapid virtual prototyping and profiling of legacy and prototype parallel process ing algorithms, architectures, and systems using a networked cluster of workstations. Performance re sults of virtual prototypes in ISE are shown to faith fully represent those of an equivalent hardware con figuration, and the benefits of ISE for predicted per formance comparisons are illustrated by a case study.
Reduced frequency of occlusion of aorto-pulmonary shunts in infants receiving Aspirin (1999)

Aspirin reduced effectively the rate of occlusion of systemic-to-pulmonary arterial shunts, and should be continued as long as the shunt is in place.
Analogues of the Nicotinic Acid Adenine Dinucleotide Phosphate (NAADP) Antagonist Ned-19 Indicate Two Binding Sites on the NAADP Receptor (2009)

Nicotinic acid adenine dinucleotide phosphate (NAADP) is a Ca(2+)-releasing messenger. Biological data suggest that its receptor has two binding sites: one high-affinity locking site and one low-affinity opening site. To directly address the presence and function of these putative binding sites, we synthesized and tested analogues of the NAADP antagonist Ned-19. Ned-19 itself inhibits both NAADP-mediated Ca(2+) release and NAADP binding. A fluorometry bioassay was used to assess NAADP-mediated Ca(2+) release, whereas a radioreceptor assay was used to assess binding to the NAADP receptor (only at the high-affinity site). In Ned-20, the fluorine is para rather than ortho as in Ned-19. Ned-20 does not inhibit NAADP-mediated Ca(2+) release but inhibits NAADP binding. Conversely, Ned-19.4 (a methyl ester of Ned-19) inhibits NAADP-mediated Ca(2+) release but cannot inhibit NAADP binding. Furthermore, Ned-20 prevents the self-desensitization response characteristic of NAADP in sea urchin eggs, confirming that this response is mediated by a high-affinity allosteric site to which NAADP binds in the radioreceptor assay. Collectively, these data provide the first direct evidence for two binding sites (one high- and one low-affinity) on the NAADP receptor.
Ultrathin self‐assembled polymeric films on solid surfaces. I. Synthesis and characterization of acrylate copolymers containing alkyl disulfide side chains (1993)

Abstract Copolymers of 2‐hydroxyethyl acrylate and 2‐methoxyethyl acrylate with variable compositions were synthesized, fractionated, and characterized by 1 H‐NMR, IR, GPC, and viscometry. These copolymers were further modified via polymer analog esterification of copolymer hydroxy groups by a series of disulfide‐containing carboxylic acids including lipoic acid and ( n ‐pentyldithio) alkyl carboxylic acids ( n ‐C 5 H 11 SS(CH 2 ) m COOH, m = 10, 15, 22) in the presence of 1,3‐dicyclohexylcarbodiimide (DCC). Esterification reactions were quantitative for copolymers possessing hydroxy monomer contents ≤ 40% when excess acid and DCC were present for sufficiently long reaction times (2–4 days) at room temperature. Copolymer DSC analysis demonstrates a systematic variation of T g with copolymer composition in good agreement with ideal mixing theory. These disulfide‐bearing copolymers spontaneously yield two‐dimensional ultrathin polymer films with side chain‐dependent layer thicknesses of 20–45 Å by solution adsorption onto freshly deposited gold surfaces. Such ultrathin polymer films are expected to have diverse applications as bound polymeric surface modification reagents. © 1993 John Wiley & Sons, Inc.
Phosphorylation of Avena phytochrome in vitro as a probe of light-induced conformational changes. (1986)

A polycation-dependent protein kinase was found to be associated with purified phytochrome preparations from etiolated Avena seedlings. This kinase and three mammalian protein kinases, the catalytic subunit of cAMP-dependent protein kinase, cGMP-dependent protein kinase, and a Ca2+-activated phospholipid-dependent protein kinase, were used to probe light-induced conformational changes in 124-kilodalton Avena phytochrome in vitro. The red absorbing form of phytochrome (Pr) was found to be a substrate for all four protein kinases. Although the far-red absorbing form of phytochrome (Pfr) was as good a substrate as Pr with the cAMP-dependent protein kinase, the Pfr form was poorly phosphorylated by the other three protein kinases. Serine is the major amino acid residue phosphorylated on phytochrome regardless of the form of phytochrome used as substrate. Peptide mapping revealed that the sites of phosphorylation catalyzed by the cAMP-dependent protein kinase differ for Pr and Pfr forms of phytochrome. For the Pr form, the preferred site(s) of phosphorylation was near the amino terminus of the 124-kilodalton subunit. Upon photo-conversion to Pfr, this site can no longer be phosphorylated easily and a new phosphorylation site in the COOH-terminal nonchromophore domain of the molecule becomes accessible to the cAMP-dependent protein kinase. These studies of the phosphorylation of phytochrome provide a new means to study the effect of light absorption by phytochrome on the molecular conformation of the protein. The potential physiological implications of differential phosphorylation of Pr and Pfr await elucidation.
Empirical analysis of airport network and critical airports (2016)

Abstract Air transport network, or airport network, is a complex network involving numerous airports. Effective management of the air transport system requires an in-depth understanding of the roles of airports in the network. Whereas knowledge on air transport network properties has been improved greatly, methods to find critical airports in the network are still lacking. In this paper, we present methods to investigate network properties and to identify critical airports in the network. A novel network model is proposed with airports as nodes and the correlations between traffic flow of airports as edges. Spectral clustering algorithm is developed to classify airports. Spatial distribution characteristics and intraclass correlation of different categories of airports are carefully analyzed. The analyses based on the fluctuation trend of distance-correlation and power spectrum of time series are performed to examine the self-organized criticality of the network. The results indicate that there is one category of airports which dominates the self-organized critical state of the network. Six airports in this category are found to be the most important ones in the Chinese air transport network. The flights delay occurred in these six airports can propagate to the other airports, having huge impact on the operation characteristics of the entire network. The methods proposed here taking traffic dynamics into account are capable of identifying critical airports in the whole air transport network.