gebhart/patrepeval huggingface dataset:
Lithium-ion battery capacity estimation based on battery surface temperature change under constant-current charge scenario (2021)

Accurate estimation of battery actual capacity in real time is crucial for a reliable battery management system and the safety of electrical vehicles. In this paper, the battery capacity is estimated based on the battery surface temperature change under constant-current charge scenario. Firstly, the evolution of the smoothed differential thermal voltammetry (DTV) curves throughout the aging process is analyzed. Then, the change of the battery surface temperature, which is equivalent to the area under the DTV curve, over a specific voltage range is introduced as a direct feature of interest to reflect the battery actual capacity. In addition, the temperature variation transformation is utilized to reduce the influence of the initial battery inconsistency. Lastly, two battery degradation datasets are utilized to validate the proposed method. The maximum root mean-square errors of the estimation results by the reference correlation are less than 20 mAh and 60 mAh for the two employed batteries (respective nominal capacities are 740 mAh and 4800 mAh). Specifically, the mean estimation errors for the respective two batteries are reduced by approximately 24.74% and 39.60% after the temperature variation transformation. The proposed method is further compared with the existing DTV analysis method and demonstrates the superior performance.
Electrochemical Studies of Vanadium-Based Polyoxometalate Molecular-Cluster Batteries (2015)

The lithium ion battery (LIB) is a promising energy storage technology for electric vehicles [1]. The most commonly used cathode material in LIBs is LiCoO 2 . Lithium ion intercalation/de-intercalation into the layer-structured Li x CoO 2 can result in fast capacity fading. Besides, the kinetic rate of lithium ion intercalation/de-intercalation in the lattice structure is slow which causes low power density.[2] Polyoxometalates (POMs) are transition metal oxide molecular clusters with various structures and have been reported as promising cathode active material for energy storage applications. Due to their multiple redox centers they can undergo fast and reversible redox reactions.[3-5] POMs are expected to undergo redox process as a molecular cluster, thus the stability of the POMs is not depended on the recoverability of its long-term crystal structure. The most commonly used POMs in Li ion Molecular-Cluster Batteries (MCBs) are Mo-based POMs which can achieve a capacity of 270 mAh g -1 . However, the cycling stability of Mo-based POMs is poor because of the instability of molecular cluster ions [PMo 12 O 40 ] 3- in the reduced state and high solubility in the electrolytes. Vanadium based POMs have been reported to possess a high capacity of up to 200 mAh g -1 , and higher cycling stability than Mo-based POMs. However, the valence and fine structural changes of V-based POMs MBCs during charging/discharging have not yet been investigated. Thus, we performed in-situ V K-edge XAFS measurements for V-based POM molecular cluster batteries, and determined the oxidation states and inner structure changes of V-based POM during charging/discharging. Furthermore, the kinetic studies of V-based POM MCBs were also performed by chronoamperometry experiments in this research. [1] H. Wang, S. Hamanaka, T. Yokoyama, H. Yoshikawa, K. Awaga, Chemistry-an Asian Journal 2011, 6, 1074. [2] H. Wang, S. Hamanaka, T. Yokoyama, H. Yoshikawa, K. Awaga, Chemistry-an Asian Journal 2011, 6, 1074. [3] N. Kawasaki, H. Wang, R. Nakanishi, S. Hamanaka, R. Kitaura, H. Shinohara, T. Yokoyama, H. Yoshikawa, K. Awaga, Angewandte Chemie-International Edition 2011, 50, 3471. [4] H. Wang, S. Hamanaka, Y. Nishimoto, S. Irle, T. Yokoyama, H. Yoshikawa, K. Awaga, Journal of the American Chemical Society 2012, 134, 4918. [5] E. Ni, T. Kume, S. Uematsu, Z. Quan, N. Sonoyama, Electrochemistry 2014, 82, 14.
Matrix metalloproteinase-9 gene deletion facilitates angiogenesis after myocardial infarction (2005)

Matrix metalloproteinases (MMPs) are postulated to be necessary for neovascularization during wound healing. MMP-9 deletion alters remodeling postmyocardial infarction (post-MI), but whether and to what degree MMP-9 affects neovascularization post-MI is unknown. Neovascularization was evaluated in wild-type (WT; n = 63) and MMP-9 null (n = 55) mice at 7-days post-MI. Despite similar infarct sizes, MMP-9 deletion improved left ventricular function as evaluated by hemodynamic analysis. Blood vessel quantity and quality were evaluated by three independent studies. First, vessel density was increased in the infarct of MMP-9 null mice compared with WT, as quantified by Griffonia (Bandeiraea) simplicifolia lectin I (GSL-I) immunohistochemistry. Second, preexisting vessels, stained in vivo with FITC-labeled GSL-I pre-MI, were present in the viable but not MI region. Third, a technetium-99m-labeled peptide (NC100692), which selectively binds to activated alpha(v)beta3-integrin in angiogenic vessels, was injected into post-MI mice. Relative NC100692 activity in myocardial segments with diminished perfusion (0-40% nonischemic) was higher in MMP-9 null than in WT mice (383 +/- 162% vs. 250 +/- 118%, respectively; P = 0.002). The unique finding of this study was that MMP-9 deletion stimulated, rather than impaired, neovascularization in remodeling myocardium. Thus targeted strategies to inhibit MMP-9 early post-MI will likely not impair the angiogenic response.
A Data Integration Approach to Mapping OCT4 Gene Regulatory Networks Operative in Embryonic Stem Cells and Embryonal Carcinoma Cells (2010)

It is essential to understand the network of transcription factors controlling self-renewal of human embryonic stem cells (ESCs) and human embryonal carcinoma cells (ECs) if we are to exploit these cells in regenerative medicine regimes. Correlating gene expression levels after RNAi-based ablation of OCT4 function with its downstream targets enables a better prediction of motif-specific driven expression modules pertinent for self-renewal and differentiation of embryonic stem cells and induced pluripotent stem cells.We initially identified putative direct downstream targets of OCT4 by employing CHIP-on-chip analysis. A comparison of three peak analysis programs revealed a refined list of OCT4 targets in the human EC cell line NCCIT, this list was then compared to previously published OCT4 CHIP-on-chip datasets derived from both ES and EC cells. We have verified an enriched POU-motif, discovered by a de novo approach, thus enabling us to define six distinct modules of OCT4 binding and regulation of its target genes.A selection of these targets has been validated, like NANOG, which harbours the evolutionarily conserved OCT4-SOX2 binding motif within its proximal promoter. Other validated targets, which do not harbour the classical HMG motif are USP44 and GADD45G, a key regulator of the cell cycle. Over-expression of GADD45G in NCCIT cells resulted in an enrichment and up-regulation of genes associated with the cell cycle (CDKN1B, CDKN1C, CDK6 and MAPK4) and developmental processes (BMP4, HAND1, EOMES, ID2, GATA4, GATA5, ISL1 and MSX1). A comparison of positively regulated OCT4 targets common to EC and ES cells identified genes such as NANOG, PHC1, USP44, SOX2, PHF17 and OCT4, thus further confirming their universal role in maintaining self-renewal in both cell types. Finally we have created a user-friendly database (http://biit.cs.ut.ee/escd/), integrating all OCT4 and stem cell related datasets in both human and mouse ES and EC cells.In the current era of systems biology driven research, we envisage that our integrated embryonic stem cell database will prove beneficial to the booming field of ES, iPS and cancer research.
Molecular Pathways for Lymphangiogenesis and their Role in Human Disease (2006)

The lymphatic network functions to return fluid, cells and macromolecules to the circulation. Recent characterization of growth factors that control the growth and development of the lymphatics, and markers which specify lymphatic endothelial cells have enhanced our understanding of this system. Members of the VEGF family of factors are key regulators of these vessels with VEGF-C/VEGF-D and VEGFR-3 being the best validated signalling pathways in lymphangiogenesis. The study of these molecules in various pathologies has shown that they are important in the processes of cancer metastasis and in the formation of lymphoedema. Knowledge of these molecular pathways allows for the generation of modulators of these pathways which could form the basis of novel therapeutic approaches.
Buckling and yield strength estimation of architected materials under arbitrary loads (2022)

Buckling strength estimation of architected materials has mainly been restricted to load cases oriented along symmetry axes. However, realistic load scenarios usually exhibit more general stress distributions. This study employs local member analyses to estimate the buckling strength surface of stretch-dominated lattice structures. As an integral part of the method, the yield strength surface is also determined. Local members are analyzed under different boundary conditions, i.e., simply-supported, clamped as well as rotational springs accounting for lattice topologies. The local member estimations are compared with accurate but expensive numerical linear microstructural buckling analyses for different loadings. The local member approach provides a valuable tool to quickly estimate the microstructural buckling strength of stretch-dominated lattice structures, especially for applications where the stress state is non-uniform such as infill in additive manufacturing. Using the local member approach, we compute the entire buckling strength surfaces of an orthotropic bulk modulus optimal plate, an isotropic stiffness optimal plate, and an isotropic truss lattice structure subjected to rotated uni-axial loads. All the considered lattice structures possess high buckling strength anisotropy. In addition, the isotropic stiffness optimal plate structure possesses a near-isotropic yield strength surface while the truss counterpart possesses an anisotropic one. Inspired by the buckling strength surface calculations, we further propose a new isotropic plate lattice configuration with enhanced buckling strength isotropy without stiffness or yield strength deterioration.
A strategy for avoiding spurious localized buckling modes in topology optimization (2023)

Summary We introduce a strategy preventing the occurrence of spurious modes in the spectrum computed by linearized buckling analysis in the context of topology optimization. Spurious buckling modes may appear in low density regions, a well‐known and largely discussed phenomenon. However, localized modes may also appear in solid areas, where stress concentrations occur. This second phenomenon, which is due to the inherent limitations of the linearized buckling analysis when used for complex stress states, is hardly addressed in the topology optimization literature. The remedy we propose makes use of elementary operations in the topology optimization framework: filtering and erosion, but now applied to the stress field. We show how this simple strategy helps mitigating the occurrence of spurious modes, in turn regularizing the optimization process towards high performance designs, which are then verified by nonlinear analysis.
The Immersive Cleveland Clinic Virtual Reality Shopping Platform for the Assessment of Instrumental Activities of Daily Living (2022)

A decline in the performance of instrumental activities of daily living (IADLs) has been proposed as a prodromal marker of neurological disease. Existing clinical and performance-based IADL assessments are not feasible for integration into clinical medicine. Virtual reality (VR) is a powerful yet underutilized tool that could advance the diagnosis and treatment of neurological disease. An impediment to the adoption and scaling of VR in clinical neurology is VR-related sickness resulting from sensory inconsistencies between the visual and vestibular systems (i.e., locomotion problem). The Cleveland Clinic Virtual Reality Shopping (CC-VRS) platform attempts to solve the locomotion problem by coupling an omnidirectional treadmill with high-resolution VR content, enabling the user to physically navigate a virtual grocery store to simulate shopping. The CC-VRS consists of Basic and Complex shopping experiences; both require walking 150 m and retrieving five items. The Complex experience has additional scenarios that increase the cognitive and motor demands of the task to better represent the continuum of activities associated with real-world shopping. The CC-VRS platform provides objective and quantitative biomechanical and cognitive outcomes related to the user's IADL performance. Initial data indicate that the CC-VRS results in minimal VR-sickness and is feasible and tolerable for older adults and patients with Parkinson's disease (PD). The considerations underlying the development, design, and hardware and software technology are reviewed, and initial models of integration into primary care and neurology are provided.
Full-Thickness Macular Hole in a Patient With Proliferative Sickle Cell Retinopathy (2010)

RAJAGOPAL, RITHWICK MD, PhD; APTE, RAJENDRA S. MD, PhDEditor(s): Toth, Cynthia A.; Day, Shelley; Ehlers, Justis P. Author Information
Ultrafast Polyene Dynamics in Solution:  The Conformational Relaxation and Thermalization of Highly Excited cis-1,3,5-Hexatriene as a Function of Initial Conformation and Solvent (1998)

Femtosecond transient absorption spectroscopy has been used to investigate the ground and excited-state dynamics of cis-1,3,5-hexatriene (Z-HT) and 1,3-cyclohexadiene following excitation to the strongly allowed 11B state in cyclohexane and n-hexadecane solvents. The internal conversion from the excited state manifold to produce vibrationally excited ground electronic state Z-HT occurs with rates of ca. 2−4 ps-1. The relaxation of highly excited Z-HT is used to probe the solvent−solute interaction and the influence of solvent on the competition between thermalization and single-bond isomerization dynamics. The data are also used to compare and contrast the hexatriene relaxation as a function of solute initial conditions (cZc-HT vs tZt-HT). A formalism for transforming the observed spectral data into time-dependent photoproduct yields is developed. These data are then compared with time-dependent quantum yields obtained from a transition state, rate equation approach to modeling the anticipated population dynamics. The detailed analysis of the results presented here are compared with the analysis of Lochbrunner et al. [Lochbrunner, S.; Fuss, W.; Schmid, W. E.; Kompa, K.-L. J. Phys. Chem. A 1998, 102, 9334. In press.] for the conformational relaxation of highly excited Z-HT in ethanol. Although the conformational evolution observed in hexadecane and cyclohexane are similar, the decays of cZc-HT and cZt-HT appear to be substantially faster in ethanol. These results are discussed in the context of Kramers theory for condensed phase reaction dynamics.
Laminar natural convection in a 2-D pentagonal house with sloping roof heated by constant heat flux (2022)

Natural convection in a pentagonal house with a protruding cooler for summer is numerically investigated. The sloping roof is subjected to constant heat flux, and the cooler maintains at a uniform cold temperature. The remaining walls of the house are insulated. Local multi-quadratic radial basis function (LMQRBF) method is applied in solution of Navier–Stokes equations in stream function-vorticity form. The working fluid in the house is air with Pr = 0.71. The effects of Rayleigh number (103 ≤ Ra ≤ 106), heat flux of the roof (0.1 ≤ q ≤ 2.0), and the cooler’s vertical position (0.65 ≤ H/L ≤ 0.85) are explored. Streamlines, isotherms, velocity profiles, and the distribution of Nusselt number are displayed. Numerical results indicate that for the top and right wall of the cooler, the heat transfer is stronger than that for the bottom wall. It reveals that all the governing parameters efficiently impact the generation and evolution of the secondary and tertiary vortex in the gable roof. It is also observed that the variation of average Nusselt number on the right wall with Rayleigh number is under the combined influence of the heat flux and the cooler’s vertical position.
Elastic Optical Networking in the Microsoft Cloud [Invited] (2016)

To keep pace with the tremendous bandwidth growth in cloud networking, web-scale providers, such as Microsoft, have been quick to adopt elastic features of modern optical networks. In particular, colorless flexible-grid reconfigurable optical add-drop multiplexers, bandwidth-variable transceivers, and the ability to choose a variety of optical source types are integral for cloud network operators to improve network efficiency while supporting a variety of service types. We take an in-depth look at Microsoft's deployed network infrastructure and discuss the impact of elasticity on network capacity and flexibility. As a proof-of-concept, a new elastic open line system (OLS), in which the line system components and the signal sources are disaggregated, was assembled in a laboratory environment, and 4000 km of propagation over primarily nonzero dispersion-shifted fiber using multiple source types is demonstrated. Finally, the long-term goal of unifying the control plane of the OLS, DWDM signal sources, routers, and Ethernet switches under a single software-defined network controller is briefly addressed.
Vers une nanochimie douce et biomimétique (2005)

Le domaine des nanomateriaux connait actuellement un essor important. L'approche des chimistes, dite « bottom-up », qui consiste a assembler progressivement des entites moleculaires, ouvre des perspectives particulierement prometteuses. Le developpement des methodes de synthese par « chimie douce » associees a l'observation de la nature mene a une nouvelle nanochimie qui conduit a des materiaux hybrides organo-mineraux associant la robustesse du monde mineral et la souplesse de la chimie organique.
Expression of Epidermal Growth Factor Receptor (EGFR) and Activated EGFR Predict Poor Response to (Chemo)radiation and Survival in Cervical Cancer (2009)

EGFR and pEGFR immunostainings are frequently observed and independently associated with poor response to therapy and disease-specific survival in cervical cancer patients primarily treated by (chemo)radiation. Our data present the EGFR pathway as a promising therapeutic target in already ongoing clinical trials.
Substituted 3-(Phenylsulfonyl)-1-phenylimidazolidine-2,4-dione Derivatives as Novel Nonpeptide Inhibitors of Human Heart Chymase (1997)

A series of 3-(phenylsulfonyl)-1-phenylimidazolidine-2,4-dione derivatives have been synthesized and evaluated for their ability to selectively inhibit human heart chymase. The structure-activity relationship studies on these compounds gave the following results. The 1-phenyl moiety participates in a hydrophobic interaction where an optimum size is required. At this position, 3,4-dimethylphenyl is the best moiety for inhibiting chymase and showed high selectivity compared with chymotrypsin and cathepsin G. A 3-phenylsulfonyl moiety substituted with hydrogen-bond acceptors such as nitrile and methoxycarbonyl enhances its activity. Molecular-modeling studies on the interaction of 3-[(4-chlorophenyl)sulfonyl]-1-(4-chlorophenyl)-imidazolidine-2,4-dione (29) with the active site of human heart chymase suggested that the 1-phenyl moiety interacts with the hydrophobic P1 pocket, the 3-phenylsulfonyl moiety resides in the S1'-S2' subsites, and the 4-carbonyl of the imidazolidine ring and sulfonyl group interact with the oxyanion hole and the His-45 side chain of chymase, respectively. The complex model is consistent with the structure-activity relationships.
Correlation of Activity with Stability of Chemically Modified Ribozymes in Nuclei Suspension (1996)

To examine hammerhead ribozyme activity in the nuclear environment, we have used nuclei isolated from HTLV-I tax transformed fibroblasts to evaluate ribozymes targeted against HTLV-I tax RNA. The ribozyme activity in nuclei suspension was strongly dependent on the resistance of the particular ribozyme to endogenous nucleases. A ribozyme containing exclusively 2'-deoxynucleotides in its stems cleaved target RNA by its catalytic activity in the absence of proteins and caused degradation in their presence by induction of nuclear RNase H activity. A ribozyme containing 2'-amino- and 2'-fluoropyrimidine nucleosides in combination with terminal phosphorothioate linkages was significantly more stable in nuclei suspension and also exhibited a more than threefold higher cleavage efficacy than its unmodified counterpart. The increased resistance against nuclease degradation is mainly due to terminal phosphorothioate linkages, suggesting that both 5' and 3'-exonucleases are primarily responsible for the nuclear degradation of oligonucleotides.
An n→π* interaction reduces the electrophilicity of the acceptor carbonyl group (2013)

Carbonyl-carbonyl (C=O···C'=O') interactions are ubiquitous in both small and large molecular systems. This interaction involves delocalization of a lone pair (n) of a donor oxygen into the antibonding orbital (π*) of an acceptor carbonyl group. Analyses of high-resolution protein structures suggest that these carbonyl-carbonyl interactions prefer to occur in pairs, that is, one donor per acceptor. Here, the reluctance of the acceptor carbonyl group (C'=O') to engage in more than one n→π* electron delocalization is probed using imidazolidine-based model systems with one acceptor carbonyl group and two equivalent donor carbonyl groups. The data indicate that the electrophilicity of the acceptor carbonyl group is reduced when it engages in n→π* electron delocalization. This diminished electrophilicity discourages a second n→π* interaction with the acceptor carbonyl group.
Photobiotin Surface Chemistry Improves Label‐Free Interferometric Sensing of Biochemical Interactions (2005)

Ein hoch empfindlicher und kostengünstiger Biosensor: Mithilfe von Photobiotin, an das eine Avidinschicht gebunden ist, lässt sich jedes gewünschte biotinylierte Molekül in Mikrofluidikkanälen immobilisieren, die in Polydimethylsiloxan (PDMS) eingeprägt sind. Der so erhaltene Biosensor registriert biomolekulare Wechselwirkungen ohne das Vorliegen von Markierungen und in Pikoliter-Volumina.
Data and code for the publication of "Fluctuating hydrodynamics of chiral active fluids" (2021)

We provide all the data used to make the plots in main figures, extended figures and supplementary figures in our paper "Fluctuating hydrodynamics of chiral active fluids". We also provide codes to reproduce the simulation results shown in the paper
Split Duty Cycle Coupled Multiphase Boost–Buck Converter (2021)

The classic cascaded boost–buck converter has inductors at the input and output ports of the converters, which makes it an ideal interface for bidirectional battery charging applications, where accurate current control and low ripple currents are required. This article proposes a split duty cycle coupled multiphase variant applied to the cascaded boost–buck converter and utilizes coupled inductor features to achieve very lower current ripples at the output, lower power losses, and reduction in magnetic component volume. Moreover, current sharing between each phase is inherently implemented, making it suitable for a high-conversion-ratio bidirectional operation in systematic energy storage applications, where the low-voltage port has very high current. This article covers a split duty cycle converter operation principle using coupled inductors between the input and the multiphase output. Magnetic component design and selection guidelines are presented. The proposed control method and the coupled inductor structure are validated by simulation and experimental results.
The identification of a hydroxylated pyrrolidine derivative from Castanospermum australe (1985)

R. J. Nash, E. A. Bell, G. W. J. Fleet, R. H. Jones and J. M. Williams, J. Chem. Soc., Chem. Commun., 1985, 738 DOI: 10.1039/C39850000738