gebhart/patrepeval huggingface dataset:
Unsaturated heterocyclic systems. LXXXI. Configurational stabilities of strained .alpha.-sulfonyl carbanions. Kinetics of base-catalyzed racemization and deuterium exchange of representative thiete and thietane dioxides (1971)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUnsaturated heterocyclic systems. LXXXI. Configurational stabilities of strained .alpha.-sulfonyl carbanions. Kinetics of base-catalyzed racemization and deuterium exchange of representative thiete and thietane dioxidesLeo A. Paquette, John P. Freeman, and Matthew J. WyvrattCite this: J. Am. Chem. Soc. 1971, 93, 13, 3216–3221Publication Date (Print):June 1, 1971Publication History Published online1 May 2002Published inissue 1 June 1971https://pubs.acs.org/doi/10.1021/ja00742a021https://doi.org/10.1021/ja00742a021research-articleACS PublicationsRequest reuse permissionsArticle Views45Altmetric-Citations12LEARN 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
9-Anilinoacridines as potential antileishmanial agents (1993)

A number of 1'-substituted 9-anilinoacridines were evaluated for their activities against promastigote and amastigote forms of Leishmania major and for their toxicities to human Jurkat leukemia cells. Several compounds possessing 1'-NH-alkyl substituents produced more than 80% growth inhibition of macrophage-infected L. major amastigotes at or below a concentration of 1 microM. 1'-Hexylamino-9-anilinoacridine (compound 14) was the least toxic compound to human Jurkat cells, while it retained strong antileishmanial activity. There was a general trend for the more lipophilic compounds to show the greatest antileishmanial activity, whereas 3,6-di-NH2 substitution of the acridine nucleus reduced or eliminated activity. Some structure-activity relationships of the various compounds are discussed.
Fuel Economy Engine Oils: Scientific Rationale and Controversies (2021)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Since a significant part of energy losses in the internal combustion engine comes from viscous dissipation, the trend has shifted toward low-viscosity oils from SAE 40 and 50 in the 1960s-1980s to current SAE 20 and lower viscosity grades. Use of low viscosity engine oils significantly reduces energy losses in the main bearing and piston/bore systems, while tribological stresses on the valvetrain - especially in flat-tappet cammed engines - may increase. This makes a strong argument for deploying new classes of friction modifiers and antiwear additives. However, development of a balanced formulation is not as straightforward as it appears, and numerous pitfalls may be encountered due to additive interactions. Another serious problem is that the definition of “fuel-economy engine oil” is rather vague, as it depends on choice of reference oil. Nowadays, the assessment of fuel economy is often based on the Sequence VIE or VIF tests using a 2012 3.6L GM V6 gasoline engine. It is not unexpected that the results of this test turn to be largely misleading when extrapolated to modern heavily boosted low-displacement engines. Hence, many OEM-specific fuel economy tests also exist and different engine designs often produce controversial results. Furthermore, the “fuel economy” performance of the same oil in the same engine may change dramatically depending on the driving cycle.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;All the aforesaid circumstances are to be taken into account when trying to harmonize normative performance claims with customer expectations.&lt;/div&gt;&lt;/div&gt;
Asymptotic Behavior of Internet Congestion Controllers in a Many-Flows Regime (2005)

Congestion controllers for the Internet are typically designed based on deterministic delay differential equation models. In this paper, we consider the case of a single link accessed by many TCP-like congestion-controlled flows and uncontrolled flows that are modeled as stochastic disturbances. We show that if the number of flows is large and the link capacity is scaled in proportion to the number of users, then under appropriate conditions, the trajectory of the stochastic system is eventually well approximated by the trajectory of a delay-differential equation. Our analysis also throws light on the choice of various parameters that ensure global asymptotic stability of the limiting deterministic system in the presence of feedback delay. Numerical examples with some popular congestion feedback mechanisms validate the parameter choices from the analysis. The results indicate that a system with multiple TCP-like flows is globally stable (and thus, that a deterministic model is reasonable if the number of flows is large) as long as the product of the throughput and feedback delay per flow is not very small.
Derivación cuantificacional - II Parte (2015)

El presente video nos relata las reglas de inferencia como eliminar e introducir cuantificadores ; utilizando constante individuales algunas reglas en logica cuantificacional sobre el desarrollo.
MOCVD-Grown InGaN nanowires for photovoltaic applications (2014)

Dislocation-free, vertically-aligned, and strain-relaxed InGaN nanowires were realized using metal-organic chemical vapor deposition. The indium composition is continuously tunable from 3.4 to 2.5 eV, with the latter being significant for a four-junction photovoltaic device. Growth mechanism, morphological evolution, and optical as well as structural properties were analyzed. Photovoltaic response was also shown.
Machine-learning enables image reconstruction and classification in a “see-through” camera (2020)

We demonstrate that image reconstruction can be achieved via a convolutional neural network for a “see-through” computational camera comprised of a transparent window and CMOS image sensor. Furthermore, we compared classification results using a classifier network for the raw sensor data against those with the reconstructed images. The results suggest that similar classification accuracy is likely possible in both cases with appropriate network optimizations. All networks were trained and tested for the MNIST (6 classes), EMNIST, and the Kanji49 datasets.
Mechanistic Insights into the Ceria-Catalyzed Synthesis of Carbamates as Polyurethane Precursors (2019)

The methoxycarbonylation of toluenediamines with dialkyl carbonates constitutes an alternative route for the phosgene-free production of isocyanate precursors. Despite the remarkable catalytic activity of ceria in the reaction, achieving full selectivity and long-term stability still represent major challenges. Here, the mechanism of the methoxycarbonylation of the industrially relevant 2,4-diaminotoluene (2,4-TDA) with dimethylcarbonate (DMC) along with the evolution of the property–performance interplay upon consecutive cycles are rationalized via the identification of reaction products, characterization tools, and density functional theory (DFT). The formation of the desired carbamates (7% mono- and 83% biscarbamate) is favored over the (111) facet, the most abundant in the as-prepared material, and proceeds via a complex reaction mechanism that involves a broad number of isomers and multiple reaction paths. A consecutive reaction in which 2,4-TDA is converted into a monocarbamate that further reacts to the biscarbamate drives the selective path. Part of these carbamates reacts to form productive ureas, unprecedented intermediates that reversely transform into carbamates. A full product analysis enables us to identify a number of side products that mostly comprises N-methylated carbamates and N-methylated ureas. Evaluation in subsequent cycles evidences the catalyst deactivation and the concomitant increase in the formation of byproducts, which is linked to the increasing amount of carbon deposits along with the DMC-induced partial surface restructuring into an oxygen-defective (100) facet after six cycles. These findings highlight the challenges in the rational design of robust heterogeneous catalysts for the production of isocyanate precursors.
MEK1/2 inhibition transiently alters the tumor immune microenvironment to enhance immunotherapy efficacy against head and neck cancer (2022)

Our findings provide the rationale for testing the trametinib/αPD-1 combination in HNC and highlight the importance of sensitizing tumors to αPD-1 by using MEK1/2 to interfere with the tumor-host interaction. Moreover, we describe the concept that treatment of cancer with a targeted therapy transiently induces an immune-active microenvironment, and supplementation of immunotherapy during this time further activates the antitumor machinery to cause tumor elimination.
Budget-based power consumption for application execution on a plurality of compute nodes (2023)

Methods, apparatus, and products are disclosed for budget-based power consumption for application execution on a plurality of compute nodes that include: assigning an execution priority to each of one or more applications; executing, on the plurality of compute nodes, the applications according to the execution priorities assigned to the applications at an initial power level provided to the compute nodes until a predetermined power consumption threshold is reached; and applying, upon reaching the predetermined power consumption threshold, one or more power conservation actions to reduce power consumption of the plurality of compute nodes during execution of the applications.
Novelty seeking: interaction between parental alcohol use and dopamine D4 receptor gene exon III polymorphism over 17 years (2005)

Recent meta-analyses have questioned the association between the dopamine receptor D4 (DRD4) gene polymorphism and the temperament trait of novelty seeking, and proposed an interaction between the polymorphism and other factors. We wanted to test whether parental alcohol use during childhood moderated the effect of an offspring dopamine receptor gene (DRD4) polymorphism on the temperament trait of novelty seeking in adulthood. A population-based sample of children and adolescents (n=2149) and their parents was examined in 1980 and 1983 on parental alcohol use and rearing practices. In 1997, study participants completed the Temperament and Character Inventory for the novelty-seeking temperament trait, and a subsample (n=150) was genotyped for the DRD4 exon III polymorphism. For the participants with the father, but not the mother, reporting more frequent alcohol consumption or drunkenness in examinations 17 and/or 14 years before the novelty-seeking assessment, an association between the short (two- or five-repeat) alleles of the DRD4 gene and extremely high novelty-seeking scores was observed. When the father reported less frequent alcohol consumption or drunkenness, the genotype was not associated with novelty seeking. The association remained after controlling for sex, age, and maternal child-rearing. These results provide preliminary information on gene-environment interaction on the temperament trait of novelty seeking and may partly explain the heterogeneity of findings concerning the association between DRD4 polymorphisms and novelty seeking.
An Efficient Synthesis of Enantiomerically Pure Δ‐ and Δ‐Ruthenium(II)‐Labelled Oligonucleotides (1997)

Abstract The synthesis of a novel tris(bidentate ligand)ruthenium(II) complex 7 and its efficient tethering to the 5′‐end of Oligonucleotides is described. The resulting Δ‐ and Δ‐isomeric ruthenium(II)‐labelled Oligonucleotides 10a‐‐c and 11a‐‐d were separated either by reversed‐phase HPLC or by polyacrylamide gel electrophoresis. The diastereoisomerically pure isomers were fully characterized by UV/VIS and CD spectroscopy, mass spectrometry, and enzymatic digestion with base analysis. We also investigated the thermal denaturation of the hybridized double strands.
In-band Perturbation based OSNR Estimation (2020)

Perturbed spectra are modelled to estimate OSNR for a single channel amplified link. Perturbation-dependent nonlinear noise is separated from constant ASE noise using a set of propagated perturbed spectra. A least mean square fitting is used to estimate OSNR with standard deviation of 0.16 dB.
Arthroscopic Management of Dysplastic Hip Morphologies: Predictors of Success and Failures and Comparison to an Arthroscopic FAI Cohort (2015)

Previous reports regarding arthroscopic management of dysplastic hip morphologies have conflicting results. We retrospectively reviewed 88 hips (71% female, mean age 33.9 years) with radiographs consistent with dysplasia and mean 26 months follow-up after hip arthroscopy. Procedures performed included labral repairs (76%), labral debridements (23%), capsular plications (82%), and associated femoral resections (72%). Radiographs were evaluated for various parameters consistent with dysplasia. Function was evaluated prospectively with Modified Harris Hip Score (MHHS), SF-12 scoring, and pain score (VAS). Patient demographics, procedures, and radiographic parameters were evaluated with regards to functional outcomes. Results of the dysplastic cohort were compared to an aged matched cohort of 231 hips ( mean age 32 years) performed during the study period with mean follow-up 22.7 months that underwent arthroscopic FAI correction without dysplasia. The mean LCE was 20.8 degrees, and mean Tonnis angle was 11.0. The dysplastic cohort had a mean latest MHHS of 81.3 and mean 15.6 point improvement in MHHS compared to 88.4 points and 24.4 points, respectively, in the FAI cohort (p0.05). Although functional scores were improved for mild to borderline dysplastic morphologies, Good/Excellent results were inferior and Failure rates were higher compared to an FAI cohort. Associated cam-type FAI, and labral repair / capsular plications were predictive of better clinical outcomes in the dysplastic cohort.
Quantification of carbon nanotubes in polymer composites (2018)

2-Step extraction/detection method was developed for quantification of carbonaceous nanomaterials (CNMs) in polymer composites using Programmed Thermal Analysis (PTA).
Atomic-scale microstructure of metal halide perovskite (2020)

Hybrid organic-inorganic perovskites have high potential as materials for solar energy applications, but their microscopic properties are still not well understood. Atomic-resolution scanning transmission electron microscopy has provided invaluable insights for many crystalline solar cell materials, and we used this method to successfully image formamidinium lead triiodide [CH(NH<sub>2</sub>)<sub>2</sub>PbI<sub>3</sub>] thin films with a low dose of electron irradiation. Such images reveal a highly ordered atomic arrangement of sharp grain boundaries and coherent perovskite/PbI<sub>2</sub> interfaces, with a striking absence of long-range disorder in the crystal. We found that beam-induced degradation of the perovskite leads to an initial loss of formamidinium [CH(NH<sub>2</sub>)<sub>2</sub> <sup>+</sup>] ions, leaving behind a partially unoccupied perovskite lattice, which explains the unusual regenerative properties of these materials. We further observed aligned point defects and climb-dissociated dislocations. Our findings thus provide an atomic-level understanding of technologically important lead halide perovskites.
Editorial: Novel Frontiers in Helminth Genomics (2020)

EDITORIAL article Front. Genet., 14 August 2020 | https://doi.org/10.3389/fgene.2020.00791
Proper Orthogonal Decomposition Method for the Prediction of Fan Broadband Interaction Noise (2022)

The turbulent wake generated by a rotor interacting with outlet guide vanes (OGVs) is one of the dominant broadband noise sources in a turbofan engine. An accurate representation of the rotor wake turbulence is therefore important for the reliable prediction of the rotor–OGV interaction noise. This paper presents a turbulence synthesis method based on a spectral proper orthogonal decomposition (POD) representation of the turbulent wake that aims to reproduce the desired velocity cross-spectrum along the OGV leading edges where noise is emitted due to turbulence–OGV interaction. The method is first developed in the frequency domain based on a superposition of vortical modes with the appropriate amplitudes. Fourier modes and POD modes are proposed to represent the two-point velocity spectrum. The POD modes will be shown to be highly efficient in reconstructing the flowfield near the tip region where a large-scale coherent structure is present. An extension of the POD synthetic turbulence method to the time domain is also presented by means of a white noise filtering technique to allow the generation of time-varying velocity signals with the desired cross-spectral characteristics. The results show that both the one- and two-point statistics can be closely reproduced. The proposed frequency-domain POD synthetic turbulence method for fan broadband noise prediction for a realistic fan–OGV configuration is illustrated by the use of a frequency-domain linearized Navier–Stokes solver to predict the sound power radiation due to each vortical mode. Overall sound power levels at a number of discrete frequencies are predicted and compared against measured noise data. Agreement is found to be within the uncertainty of the noise sound power measurement.
Advanced Orbiting Systems Data Generator/Simulator: A Functional Description of the Software (Version 3) (1994)

The Advanced Orbiting System (AOS) Data Generator/Simulator is a software implementation of the transmitter (data generation) section of the CCSDS Recommendation 701.0-B-2 for Advanced Orbiting Systems: Networks and Data Links. An object-oriented approach to the simulation of a complex, high-performance communication protocol, it makes full use of the concepts of data-encapsulation and inheritance to ease implementation. The backbone of the software is a general-purpose packet description and generation module that may be used as part of any packet- based simulation software. The user-interface to the program is in the form of a command-language, designed to ease the process of generation of large, multiple data-streams. The output of the program may be configured for interpretation by a graphical user interface (for visual inspection of the data), or as a bit-stream suitable for further processing. This paper consists of three sections. The first two sections provide a brief, yet comprehensive description of the above CCSDS Recommendation. The various kinds and qualities of user-services, data units involved, and data-paths defined by the protocol are discussed. The different qualities of service (in terms or data reliability) available to the user (and the error-control schemes used to provide them) are also discussed. The last section describes the structure and user-interfaces of the AOS Data Generator/Simulator.
Biomimetic Cascade Network between Interactive Multicompartments Organized by Enzyme-Loaded Silica Nanoreactors (2018)

Physical separation of reactions by interactive multicompartments in biological cells is an attractive motif to design efficient microreactors that create biomimetic cascade reactions. We present an aqueous compartment with three different subcompartments that comprise of silica nanoreactors with encapsulated enzymes, namely, β-glucosidase, glucose oxidase, and peroxidase, providing a model cascade reaction in confinement. The encapsulated enzymes retain their activity as the substrate can reach the active site and the silica shell further protects the enzymes from external stresses, such as heat and proteolytic degradation. We demonstrate the biomimetic cascade reaction in between the compartments ("organelles") inside of an additional microconfinement (water-in-oil emulsion). This strategy will allow us to design efficient multicompartmentalized reactors for further biological and organic reactions.
Opportunistic Routing With Congestion Diversity in Wireless Ad Hoc Networks (2015)

We consider the problem of routing packets across a multi-hop network consisting of multiple sources of traffic and wireless links while ensuring bounded expected delay. Each packet transmission can be overheard by a random subset of receiver nodes among which the next relay is selected opportunistically. The main challenge in the design of minimum-delay routing policies is balancing the trade-off between routing the packets along the shortest paths to the destination and distributing the traffic according to the maximum backpressure. Combining important aspects of shortest path and backpressure routing, this paper provides a systematic development of a distributed opportunistic routing policy with congestion diversity (D-ORCD). D-ORCD uses a measure of draining time to opportunistically identify and route packets along the paths with an expected low overall congestion. D-ORCD with single destination is proved to ensure a bounded expected delay for all networks and under any admissible traffic, so long as the rate of computations is sufficiently fast relative to traffic statistics. Furthermore, this paper proposes a practical implementation of D-ORCD which empirically optimizes critical algorithm parameters and their effects on delay as well as protocol overhead. Realistic QualNet simulations for 802.11-based networks demonstrate a significant improvement in the average delay over comparable solutions in the literature.
Metal ammine complexes for hydrogen storage (2005)

The hopes of using hydrogen as an energy carrier are severely dampened by the fact that there is still no safe, high-density method available for storing hydrogen. We investigate the possibility of using metal ammine complexes as a solid form of hydrogen storage. Using Mg(NH3)6Cl2 as the example, we show that it can store 9.1% hydrogen by weight in the form of ammonia. The storage is completely reversible, and by combining it with an ammonia decomposition catalyst, hydrogen can be delivered at temperatures below 620 K.
Esterase LpEst1 from Lactobacillus plantarum: A Novel and Atypical Member of the αβ Hydrolase Superfamily of Enzymes (2014)

The genome of the lactic acid bacterium Lactobacillus plantarum WCFS1 reveals the presence of a rich repertoire of esterases and lipases highlighting their important role in cellular metabolism. Among them is the carboxylesterase LpEst1 a bacterial enzyme related to the mammalian hormone-sensitive lipase, which is known to play a central role in energy homeostasis. In this study, the crystal structure of LpEst1 has been determined at 2.05 Å resolution; it exhibits an αβ-hydrolase fold, consisting of a central β-sheet surrounded by α-helices, endowed with novel topological features. The structure reveals a dimeric assembly not comparable with any other enzyme from the bacterial hormone-sensitive lipase family, probably echoing the specific structural features of the participating subunits. Biophysical studies including analytical gel filtration and ultracentrifugation support the dimeric nature of LpEst1. Structural and mutational analyses of the substrate-binding pocket and active site together with biochemical studies provided insights for understanding the substrate profile of LpEst1 and suggested for the first time the conserved Asp173, which is adjacent to the nucleophile, as a key element in the stabilization of the loop where the oxyanion hole resides.