gebhart/patrepeval huggingface dataset:
Electronic Structure of Pristine and Solute‐Incorporated SrTiO 3 : III, Perfect‐Crystal, Grain‐Boundary Geometry, and Acceptor Doping (1999)

Electronic structure is investigated for donor‐impurity‐incorporated perfect‐crystal and 36.8° symmetric tilt Sigma5 (310) grain‐boundary geometries of SrTiO 3 . The relaxed model of the atomic structure of the grain boundary used in the present investigations is the same as that used in Part II, as derived by Ravikumar et al. using lattice‐statics simulations based on pair‐potential calculations. As in Part II, the methodology of one‐electron first‐principle cluster calculations, which is discussed in Part I, is extended to clusters with single‐donor impurity substitutions at the central titanium and strontium sites. The effects of niobium substitution at a titanium site and lanthanum substitution at a strontium site in the bulk and at the grain‐boundary core have been investigated by determining the aspects of the electronic structure discussed for the acceptors. The influence of grain‐boundary crystallography on donor impurity incorporation has been evaluated in terms of variations in densities of states, spatial charge densities, and charge populations at the grain boundary. As in Parts I and II, no additional local lattice relaxations around the impurity are considered for the impurity‐incorporated clusters. Donor compensation mechanisms reported in the literature are discussed in connection with the electrical activity of the material. The calculations reveal that, in perfect‐crystal geometry, although lanthanum exhibits almost the expected donor behavior at the strontium site, niobium does not exhibit very good donor behavior at the titanium site. Moreover, a decrease in the donor behavior of these impurities is observed in the grain‐boundary geometry. Such variations in the electronic behavior of donors are due to the crystallographic variations at the grain boundary and are likely to decrease the grain‐boundary‐charge and associated space‐charge effects in the presence of donors as compared with the increase of such effects in the presence of acceptors. Consequently, a decrease in space‐charge‐induced segregation of donors at grain boundaries and the effects thereof can be expected.
Influence of the adhesive formulation on the mechanical properties and bonding performance of polyurethane prepolymers (2011)

Abstract Only small amounts of additives are needed to formulate one-component polyurethane (1C PUR) adhesives for various applications. The current study illuminates the effects of the formulation on the mechanical properties of pure adhesives, on the one hand, and their performance in bonded wood joints on the other. Tensile shear tests on bonded wood joints, tensile tests on adhesive films, and nanoindentation measurements in the interphase region of the bond were performed. Analyses by means of infrared, atomic force, and electron microscopy provided the explanatory basis for the results obtained. Additionally to laboratory made 1C PUR, unmodified commercial 1C PUR, melamine-urea-formaldehyde (MUF), and phenol-resorcinol-formaldehyde (PRF) were tested for comparison. The results obtained confirm that the mechanical properties of 1C PUR adhesives are significantly affected by their prepolymer composition. The adhesive formulation by means of additives, on the other hand, does not affect the mechanical properties but is to a large extent responsible for the bonding performance.
Reassessment of the clinical impact of preformed donor-specific anti-HLA-Cw antibodies in kidney transplantation (2019)

Anti-denatured HLA-Cw antibodies are highly prevalent, whereas anti-native HLA-Cw antibodies seem to lead to random flow cytometry crossmatch results. We aimed to reassess crossmatch prediction for anti-HLA-Cw using 2 types of single antigen flow beads (classical beads and beads with diminished expression of denatured HLA), and to compare the pathogenicity of preformed anti-denatured and anti-native HLA-Cw antibodies in kidney transplantation. We performed 135 crossmatches with sera reacting against donor HLA-Cw (classical beads fluorescence ≥500); only 20.6% were positive. Forty-three (31.6%) were anti-denatured HLA antibodies (beads with diminished expression of denatured HLA fluorescence <300); all were crossmatch negative. The correlation between classical beads fluorescence and the crossmatch ratio was low (ρ = 0.178), and slightly higher with beads with diminished expression of denatured HLA (ρ = 0.289). We studied 52 kidney recipients with preformed anti-HLA-Cw donor-specific antibodies. Those with anti-native HLA antibodies experienced more acute and chronic antibody-mediated rejections (P = .006 and .03, respectively), and displayed a lower graft survival (P = .04). Patients with anti-native HLA-Cw antibodies more frequently had previous sensitizing events (P < .000001) or plausibility of their antibody profile according to known anti-native HLA-Cw eplets (P = .0001). Anti-native but not anti-denatured HLA-Cw antibodies are deleterious, which underscores the need for reagents with diminished expression of denatured HLA.
Fundamentals of Wireless Information and Power Transfer: From RF Energy Harvester Models to Signal and System Designs (2018)

Radio waves carry both energy and information simultaneously. Nevertheless, radio-frequency (RF) transmissions of these quantities have traditionally been treated separately. Currently, the community is experiencing a paradigm shift in wireless network design, namely, unifying wireless transmission of information and power so as to make the best use of the RF spectrum and radiation as well as the network infrastructure for the dual purpose of communicating and energizing. In this paper, we review and discuss recent progress in laying the foundations of the envisioned dual purpose networks by establishing a signal theory and design for wireless information and power transmission (WIPT) and identifying the fundamental tradeoff between conveying information and power wirelessly. We start with an overview of WIPT challenges and technologies, namely, simultaneous WIPT (SWIPT), wirelessly powered communication networks (WPCNs), and wirelessly powered backscatter communication (WPBC). We then characterize energy harvesters and show how WIPT signal and system designs crucially revolve around the underlying energy harvester model. To that end, we highlight three different energy harvester models, namely, one linear model and two nonlinear models, and show how WIPT designs differ for each of them in single-user and multi-user deployments. Topics discussed include rate-energy region characterization, transmitter and receiver architectures, waveform design, modulation, beamforming and input distribution optimizations, resource allocation, and RF spectrum use. We discuss and check the validity of the different energy harvester models and the resulting signal theory and design based on circuit simulations, prototyping, and experimentation. We also point out numerous directions that are promising for future research.
Characterization of tungstosilicate ((SiW12O40)4-)/titania suspensions and their activity in the evolution of hydrogen from water (1987)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCharacterization of tungstosilicate ((SiW12O40)4-)/titania suspensions and their activity in the evolution of hydrogen from waterJ. Kiwi and M. GraetzelCite this: J. Phys. Chem. 1987, 91, 27, 6673–6677Publication Date (Print):December 1, 1987Publication History Published online1 May 2002Published inissue 1 December 1987https://pubs.acs.org/doi/10.1021/j100311a023https://doi.org/10.1021/j100311a023research-articleACS PublicationsRequest reuse permissionsArticle Views255Altmetric-Citations17LEARN 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 options Get e-Alerts
Antiphonal vocal bouts associated with departures in free-ranging African elephant family groups (Loxodonta africana) (2012)

We describe the interactive nature of vocalizations emitted by African elephant (Loxodonta africana) family groups while visiting waterholes. Despite being in close visual contact with each other, individuals called interactively within a series of overlapping or antiphonal vocal bouts that increased significantly while departing from the waterhole. After initiating departure from the waterhole, elephants in this study increased their calling rate and their production of overlapping vocal bouts. The majority of calls either overlapped or occurred within 1.5 seconds of another call as part of an antiphonal bout, rather than as isolated calls. The departure of larger herds was accompanied by a greater number of calling bouts. The increase in interactive antiphonal bouts during departure might serve to facilitate group coordination and cohesion, as well as possibly reinforce social bonds. The longer repeated bouts could also facilitate eavesdropping by distant elephants by boosting signal detection since the repetition of these longer calls may yield an increase in the signal-to-noise ratio (SNR) that reduces the noise floor for better longer distance communication.
ChemInform Abstract: The Activation of Fibroblast Growth Factors by Heparin: Synthesis, Structure, and Biological Activity of Heparin‐Like Oligosaccharides. (2001)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Expedient Access to Cyanated N‐Heterocycles by Direct Flow‐Electrochemical C(sp2)−H Activation (2021)

Nitriles are recurring motifs in bioactive molecules and versatile functional groups in synthetic chemistry. Despite recent progress, direct introduction of a nitrile moiety in heteroarenes remains challenging. Recent developments in electrochemical reactions pave the way to more practical cyanation protocols. However, currently available methods typically require hazardous cyanide sources, expensive mediators, and often suffer from narrow substrate scope and laborious reaction set-up. To address the limitations of current synthetic methods, herein, an effective, sustainable, and scalable procedure for the direct C(sp<sup>2</sup> )-H cyanation of aromatic N-heterocycles with a user-friendly flow-electrochemical set-up is reported. Furthermore, high substrate and functional-group tolerance is demonstrated, allowing late-stage functionalization of drug-like scaffolds, such as natural products and pharmaceuticals.
Development of repair solution for fatigue cracks using self-prestressing Fe-SMA/CFRP bonded patches (2023)

A repair solution for fatigue cracks in steel structures using adhesively bonded iron-based shape memory alloy (Fe-SMA) strips and carbon fiber reinforced polymer (CFRP) sheets (Fe-SMA/CFRP bonded patches) was developed. The patches can self-prestress through an activation process (a heating and cooling process). An experimental study was conducted, wherein cracked steel plates were repaired with the Fe-SMA/CFRP bonded patches, and fatigue tests were performed. Test results showed that the Fe-SMA/CFRP bonded patches prolonged the fatigue life of cracked steel plates by more than 5 times, and in some cases a complete crack arrest was achieved.
ChemInform Abstract: An Unusual Mechanism of a Palladium‐Catalyzed Intramolecular Carbametalation. A Novel Palladium‐Catalyzed Rearrangement. (1988)

Abstract Treatment of the enyne (I) with the palladium catalyst according to A) in the presence of the acetylene (II) yields the expected (2 + 2 + 2) cycloadduct (III) together with the rearrangement product (IV), whose production is explained as resulting from the formation of the intermediate (V).
Transmit beamforming in multiple-antenna systems with finite rate feedback: a VQ-based approach (2006)

This paper investigates quantization methods for feeding back the channel information through a low-rate feedback channel in the context of multiple-input single-output (MISO) systems. We propose a new quantizer design criterion for capacity maximization and develop the corresponding iterative vector quantization (VQ) design algorithm. The criterion is based on maximizing the mean-squared weighted inner product (MSwIP) between the optimum and the quantized beamforming vector. The performance of systems with quantized beamforming is analyzed for the independent fading case. This requires finding the density of the squared inner product between the optimum and the quantized beamforming vector, which is obtained by considering a simple approximation of the quantization cell. The approximate density function is used to lower-bound the capacity loss due to quantization, the outage probability, and the bit error probability. The resulting expressions provide insight into the dependence of the performance of transmit beamforming MISO systems on the number of transmit antennas and feedback rate. Computer simulations support the analytical results and indicate that the lower bounds are quite tight
Optimum Sets of Interference-Free Sequences With Zero Autocorrelation Zones (2017)

A general construction of a particular class of zero correlation zone sequences is proposed. The general construction produces the sets of so-called interference-free zero autocorrelation zone (IF-ZAZ) sequences, where any two sequences from a set have all-zero periodic cross correlation, while each sequence has periodic autocorrelation equal to zero in multiple zones of non-zero delays. The length D of each such ZAZ has the maximum possible value D = t - 1 for given sequence length N = tm and for the given number of sequences in the set M = m. As an important special case of the general construction, we present the construction of generalized chirp-like IF-ZAZ sequences that allow particularly simple implementation of the corresponding banks of matched filters.
Heterocyclic Scaffolds: Centrality in Anticancer Drug Development (2015)

Cancer has been cursed for human beings for long time. Millions people lost their lives due to cancer. Despite of the several anticancer drugs available, cancer cannot be cured; especially at the late stages without showing any side effect. Heterocyclic compounds exhibit exciting medicinal properties including anticancer. Some market selling heterocyclic anticancer drugs include 5-flourouracil, methortrexate, doxorubicin, daunorubicin, etc. Besides, some natural products such as vinblastine and vincristine are also used as anticancer drugs. Overall, heterocyclic moeities have always been core parts in the expansion of anticancer drugs. This article describes the importance of heterocyclic nuclei in the development of anticancer drugs. Besides, the attempts have been made to discuss both naturally occurring and synthetic heterocyclic compounds as anticancer agents. In addition, some market selling anticancer heterocyclic compounds have been described. Moreover, the efforts have been made to discuss the mechanisms of actions and recent advances in heterocyclic compounds as anticancer agents. The current challenges and future prospectives of heterocyclic compounds have also been discussed. Finally, the suggestions for syntheses of effective, selective, fast and human friendly anticancer agents are discussed into the different sections.
Impact of diabetic retinopathy on patients' beliefs about diabetes (2012)

Patients with DR had more negative beliefs about diabetes than those without. We identified strong and consistent associations between negative beliefs and psychological outcomes regardless of diabetic complications. These findings suggest that management for patients with DR could include strategies to address negative beliefs about diabetes and manage the emotional implications of diabetes in addition to medical treatment.
Adaptive locally optimal detectors for CPFSK in non-Gaussian noise (1987)

Performance of adaptive locally optimal Bayes' detectors (LOBD) for detecting Continuous Phase Frequency Shift Keyed (CPFSK) signals in impulsive non-Gaussian noise is investigated. Two models are used to characterize the noise process, the Johnson Su system of densities and a mixture of normals model. Analytic estimation of performance along with simulation results illustrate the robustness of these adaptive schemes.
Evaluation of geometric similarity metrics for structural clusters generated using topology optimization (2022)

Abstract In the early stages of engineering design, multitudes of feasible designs can be generated using structural optimization methods by varying the design requirements or user preferences for different performance objectives. Data mining such potentially large datasets is a challenging task. An unsupervised data-centric approach for exploring designs is to find clusters of similar designs and recommend only the cluster representatives for review. Design similarity can be defined not only on a purely functional level but also based on geometric properties, such as size, shape, and topology. While metrics such as chamfer distance measure the geometrical differences intuitively, it is more useful for design exploration to use metrics based on geometric features , which are extracted from high-dimensional 3D geometric data using dimensionality reduction techniques. If the Euclidean distance in the geometric features is meaningful, the features can be combined with performance attributes resulting in an aggregate feature vector that can potentially be useful in design exploration based on both geometry and performance. We propose a novel approach to evaluate such derived metrics by measuring their similarity with the metrics commonly used in 3D object classification. Furthermore, we measure clustering accuracy, which is a state-of-the-art unsupervised approach to evaluate metrics. For this purpose, we use a labeled, synthetic dataset with topologically complex designs. From our results, we conclude that Pointcloud Autoencoder is promising in encoding geometric features and developing a comprehensive design exploration method.
ChemInform Abstract: Stability of Molybdenum Disilicide in Combustion Gas Enviroments. (1994)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Super-Resolution Axial Localization of Ultrasound Scatter Using Multi-Focal Imaging (2017)

The normalized sharpness method has the potential to be used in scatterer localization applications and contribute in current super-resolution ultrasound imaging techniques.
A common requirement for p21c-ras function in the mitogenic signaling pathways of Swiss 3T3 fibroblasts. (1993)

The role of p21c-ras in the activation of DNA synthesis in quiescent Swiss 3T3 fibroblasts was examined by scrape loading or microinjecting the neutralizing monoclonal antibody Y13-259 into the cells. Y13-259 delayed but did not block both the serum-stimulated entry of the cells into S phase and the accumulation of cdc2 mRNA and protein at the G1-S boundary. Introduction of Y13-259 also stimulated expression of sufficient p21c-ras to neutralize the loaded antibody; this finding suggests that the delay of S phase is attributable to the time taken to synthesize an excess of p21c-ras over the antibody and implies autoregulation of c-ras expression. Y13-259 had no effect upon phosphoinositide-mediated responses ([Ca2+]i increase and activation of protein kinase C) to platelet-derived growth factor or bombesin, demonstrating that p21c-ras is not required for mitogen activation of protein kinase C. Y13-259 inhibited 5-bromo-2'-deoxyuridine incorporation in response to all of the combinations of mitogens used to stimulate quiescent cells (fetal calf serum, platelet-derived growth factor, and the combination of insulin with 12-O-tetradecanoylphorbol-13-acetate, bombesin, epidermal growth factor, or prostaglandin E1), indicating that p21c-ras functions on pathways common to all of the effective combinations of mitogens examined.
Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141) (2011)

A class of potent inhibitors of colony-stimulating factor-1 receptor (CSF-1R or FMS), as exemplified by 8 and 21, was optimized to improve pharmacokinetic and pharmacodynamic properties and potential toxicological liabilities. Early stage absorption, distribution, metabolism, and excretion assays were employed to ensure the incorporation of druglike properties resulting in the selection of several compounds with good activity in a pharmacodynamic screening assay in mice. Further investigation, utilizing the type II collagen-induced arthritis model in mice, culminated in the selection of anti-inflammatory development candidate JNJ-28312141 (23, FMS IC(50) = 0.69 nM, cell assay IC(50) = 2.6 nM). Compound 23 also demonstrated efficacy in rat adjuvant and streptococcal cell wall-induced models of arthritis and has entered phase I clinical trials.
A Sequential Algorithm Combining ADAPT and Liver Stiffness Can Stage Metabolic-Associated Fatty Liver Disease in Hospital-Based and Primary Care Patients (2020)

PRO-C3 and ADAPT reliably exclude advanced fibrosis in low-risk populations. The serial combination of ADAPT with LSM has high diagnostic accuracy with a low requirement for liver biopsy. The proposed algorithm would help stratify those who need biopsies and narrow down those patients who would need to be referred to specialty clinics.
ChemInform Abstract: Diastereoselective Heteroatom‐Directed Conjugate Addition of Silylcuprate Reagents to Unsaturated Carbonyls. A Stereoselective Route to β‐Carbonyl Siloxanes. (1995)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.