gebhart/patrepeval huggingface dataset:
Using Thin Films to Study Capacity Fade Mechanisms Observed in Conventional LiV3O8 cathodes (2016)

Capacity fade mechanisms can be difficult to pinpoint in conventional composite cathodes for Li-ion batteries. Capacity fade associated with the cathode can be caused by: (1) irreversible reactions involving the active material, possibly with the electrolyte, (2) degraded integrity of the composite structure, or (3) anode contamination by cathode dissolution products. Post-cycling characterization can be difficult, because these potential capacity fade mechanisms would occur in a complicated cathode structure with: porosity, possible microcracks, irregular surfaces, and multiple particulate phases (active material, binder, and conducting additive). Thin film cathodes were used to study how LiV 3 O 8 (LVO) microstructure affects cycling performance without the added complications associated with a conventional composite cathode structure. Thin film cathodes were produced by magnetron sputtering a Pt current collector layer and an LVO layer onto alumina disks. The thin film geometry with its uniform layered structure was well suited for analysis of pristine and cycled LVO cathodes by several characterization techniques, including transmission electron microscopy, energy dispersive x-ray spectroscopy, and x-ray photoelectron spectroscopy. The cycling performance of heat-treated thin film cathodes was directly compared to that of conventional composite cathodes with heat-treated sol-gel derived LVO powder. Thin film and sol-gel derived LVO cathodes showed excellent microstructural and electrochemical agreement as a function of heat-treatment temperature. Depending on heat-treatment temperature, the microstructure ranged from amorphous (as-deposited or low temperature heat-treatment) to coarse-grained crystalline material (higher temperature). The maximum specific capacity and the maximum capacity fade were both observed for LVO nanocrystalline material fired at intermediate temperature, where reduced capacity and reduced capacity fade were observed for higher and lower firing temperatures. Capacity fade was linked to vanadium dissolution, where amorphous LVO cathodes showed much lower vanadium dissolution than nanocrystalline LVO material. This work was supported as part of the Center for Mesoscale Transport Properties, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012673.
Supplementary Figure 3 from Systematic Interrogation of 3q26 Identifies <i>TLOC1</i> and <i>SKIL</i> as Cancer Drivers (2023)

&lt;p&gt;Supplementary Figure 3 - PDF file 20K, 3q26 copy number in cancer cell lines&lt;/p&gt;
Implications of Program Phase Behavior on Timing Analysis (2011)

Knowledge about program worst case execution time (WCET) is essential in validating real-time systems and helps in effective scheduling. One popular approach used in industry is to measure execution time of program components on the target architecture and combine them using static analysis of the program. Measurements need to be taken in the least intrusive way in order to avoid affecting accuracy of estimated WCET. Several programs exhibit phase behavior, wherein program dynamic execution is observed to be composed of phases. Each phase being distinct from the other, exhibits homogeneous behavior with respect to cycles per instruction (CPI), data cache misses etc. In this paper, we show that phase behavior has important implications on timing analysis. We make use of the homogeneity of a phase to reduce instrumentation overhead at the same time ensuring that accuracy of WCET is not largely affected. We propose a model for estimating WCET using static worst case instruction counts of individual phases and a function of measured average CPI. We describe a WCET analyzer built on this model which targets two different architectures. The WCET analyzer is observed to give safe estimates for most benchmarks considered in this paper. The tightness of the WCET estimates are observed to be improved for most benchmarks compared to Chronos, a well known static WCET analyzer.
Biodistribution study of <sup>99m</sup>Tc labeled low density lipoprotein in B16 melanoma bearing mice. Visualization of a differential fixation in tumoral tissue (1992)

The research was focused upon the availability of lipoprotein labeled with <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">99m</sup> Tc, tracer used in nuclear medicine, in order efficaciously to reach tumoral cells, in the present case the B16 melanoma in CD57 black female mice. In a biodistribution study, we used the parallel methods of scintigraphic images and tissue radioactivity counts of different organs.
Application of Interface Waves for Damage Detection in Laminated Composite B (2017)

This research investigates a novel ultrasonic method using guided interface waves for the inspection of curved hybrid laminate composite structures. Most composite airframe components, such as skin â€“ stringer and web - flange attachment of beams and channels, form structural elements which are known as Noodles. Noodles or radius fillers are used to fill-out the radius bend of curved structures. Noodles are constructed from composites with orientations different from the primary laminated structure. Noodles are vulnerable to many forms of damages and flaws. Noodles are also located in areas that might not be very convenient for inspection by typical nondestructive methods. In this research, the propagation of ultrasonic guided interface waves in a skin â€“ stringer configuration with noddle is studied. The surface acoustic wave on the curved outer surface is modeled. The intention is to identify effective guided waves for the structural curvature radius inspection. The guided wave propagation path along the bondline of skin â€“ stringer and noodle area is simulated numerically by finite element model. Typical damage scenarios in the noodle area are modeled. The ultrasonic interface wave behavior is studied for several cases to characterize noodle damages. The attenuation and scattering of wave-front suggest the interface wave can detect several damages at certain frequency range, when the wavelength is compatible with the bend radius of the structure. Also the location of damage in the noodle area can be found by reflection sources from different defect sizes. This study can be used for a generalized solution of noodle inspection problem and in connection with examination of curved surface as part of the development of a structural health monitoring system
Thermal Elevation in the Human Eye and Head Due to the Operation of a Retinal Prosthesis (2004)

An explicit finite-difference time-domain formulation of the bio-heat equation is employed with a three-dimensional head eye model to evaluate the temperature increase in the eye and surrounding head tissues due to the operation of the implanted stimulator IC chip of a retinal prosthesis designed to restore partial vision to the blind. As a first step, a validation of the thermal model and method used is carried out by comparison with in vivo measurements of intraocular heating performed in the eyes of dogs. Induced temperature increase in the eye and surrounding tissues is then estimated for several different operational conditions of the implanted chip. In the vitreous cavity, temperature elevation of 0.26 degrees C is observed after 26 min for a chip dissipating 12.4 mW when positioned in the mid-vitreous cavity while it is 0.16 degrees C when the chip is positioned in the anterior portion between the eye's ciliary muscles. Corresponding temperature rises observed on chip are 0.82 degrees C for both the positions of the chip. A comprehensive account of temperature elevations in different tissues under different operational conditions is presented.
Spectroscopic and Magnetic Properties of the Metastable States in the Coordination Network [{Co(prm)2}2{Co(H2O)2}{W(CN)8}2]·4H2O (prm = pyrimidine) (2012)

The study of the metastable states, obtained by thermal quenching or by light irradiation in the [{Co(prm)(2)}(2){Co(H(2)O)(2)}{W(CN)(8)}(2)]·4H(2)O complex, is reported using powder X-ray diffraction, Raman spectroscopy, optical reflectivity, and magnetic measurements. This compound is characterized by a electron-transfer (ET) phase transition occurring between a high-temperature phase (HT phase) formed by paramagnetic Co(II)-W(V) units and a low-temperature phase (LT phase) formed by diamagnetic Co(III)-W(IV) units. Metastable phases can be induced at low temperature either by thermal quenching rapidly cooling phase named RC or by irradiation photo-induced phase named PI similar to the well-known Light-Induced Excited Spin State Trapping effect. The relaxation dynamics of the metastable phases have been studied and revealed some differences between the RC and PI phases. The sigmoidal shape of the relaxation curves in the RC phase is in agreement with the cooperative nature of the process. Thermodynamic parameters that govern the relaxation have been determined and used to reproduce the experimental Thermal-Induced Excited Spin State Trapping curve.
Monoclonal Antibody Therapy against Acinetobacter baumannii (2021)

Extremely drug-resistant (XDR) Acinetobacter baumannii is a notorious and frequently encountered pathogen demanding novel therapeutic interventions. An initial monoclonal antibody (MAb), C8, raised against A. baumannii capsule, proved a highly effective treatment against a minority of clinical isolates. To overcome this limitation, we broadened coverage by developing a second antibody for use in a combination regimen. We sought to develop an additional anti-A. baumannii MAb through hybridoma technology by immunizing mice with sublethal inocula of virulent, XDR clinical isolates not bound by MAb C8. We identified a new antibacterial MAb, 65, which bound to strains in a pattern distinct from and complementary to that of MAb C8. MAb 65 enhanced macrophage opsonophagocytosis of targeted strains and markedly improved survival in lethal bacteremic sepsis and aspiration pneumonia murine models of A. baumannii infection. MAb 65 was also synergistic with colistin, substantially enhancing protection compared to monotherapy. Treatment with MAb 65 significantly reduced blood bacterial density, ameliorated cytokine production (interleukin-1β [IL-1β], IL-6, IL-10, and tumor necrosis factor), and sepsis biomarkers. We describe a novel MAb targeting A. baumannii that broadens immunotherapeutic strain coverage, is highly potent and effective, and synergistically improves outcomes in combination with antibiotics.
Supplementary Movie S5 from Plk1 Inhibitors and Abiraterone Synergistically Disrupt Mitosis and Kill Cancer Cells of Disparate Origin Independently of Androgen Receptor Signaling (2023)

&lt;p&gt;Video montage comparing mitosis of vehicle control with abiraterone treated C4-2 cells&lt;/p&gt;
Efficacy of oral lipid-based formulations of apomorphine and its diester in a Parkinson's disease rat model (2017)

Oral lipid-based apomorphine delivery has a potential in achieving a steady response, though at a higher dose possibly eliminating the need for frequent s.c. apomorphine administration.
Design and characterization of a multi-channel time-gated diffuse correlation spectroscopy system at 1064nm (2022)

We present the design of an innovative instrument for time-gated diffuse correlation spectroscopy. It features a 1064nm pulsed sub-ns long coherence-length laser operating up to 75MHz, a 100-channel in-FPGA correlator and a novel time-gated 32×32 InP/InGaAs-based Single Photon Avalanche Diode (SPAD) array with sub-nanosecond gating capabilities operating up to 10MHz repetition rate. We present components experimental characterization and preliminary validations on a liquid phantom. This testing is informing us for a revision of the photodetector which will allow to reach up to 192 optical channels towards functional blood flow changes measurements with full head coverage.
On the quasiclassical calculation of fundamental and overtone intensities (1993)

Various approximations to the transition dipole moment matrix element &amp;lt;n′‖M‖n≳ are compared with each other and to exact (numerical) values of this overlap integral for different n→n′ transitions in a Morse potential with a linear dipole moment function. By partitioning the numerical integral into different contributions that involve the classically allowed and forbidden regions of each wave function, we have learned what conditions must be satisfied for validity of the different approximations. In particular, we consider the Landau approximation to the quasiclassical matrix element in which the exact wave function for the upper state is replaced by the Wentzel–Kramers–Brillouin (WKB) wave function in the classically allowed region of that state. We find that the Landau approximation is more accurate than might have been expected because of the compensation of the neglected tunneling contribution by the singular behavior of the WKB wave function in the classically allowed neighborhood of the turning point. Based on this study, we suggest an improved semiclassical approximation for transition dipole matrix elements that involve an arbitrary dipole moment function. This method is applied to the n′−0 transition of a Morse oscillator using a linear dipole moment function; it can reproduce the exact values of the transition dipole moment matrix element to better than 5% for n′=1 to n′=15. Under the condition that the dipole moment function is slowly varying or decreases monotonically with increasing internuclear separation, a simple expression is presented for estimating relative strengths of neighboring high overtone transitions.
Insights Towards Mitigated Mn Dissolution through Structure-Sensitive Al2O3 Film Nucleation on LiMn2O4 By Atomic Layer Deposition (2017)

Dissolution of transition metal (TM) cations into organic electrolytes is a significant impediment to capacity retention in various lithium ion battery electrode materials. Interfaces engineered via substitutional doping and protective coatings, however, have been demonstrated to be effective techniques to reduce TM dissolution, preventing counterelectrode crossover 1–3 . In this work, we present an integrated theoretical and experimental approach to gain a molecular level understanding towards the functionality of protective thin films. As a model system, we consider Al 2 O 3 film growth by atomic layer deposition (ALD) on spinel LiMn 2 O 4 (LMO), a cathode material exhibiting the well-documented capacity fade mechanism of Mn dissolution. Using first principles DFT+ U calculations in concert with in situ experimental characterization, the mechanisms for Al 2 O 3 ALD film growth by trimethylaluminum (TMA) and H 2 O half-reactions are evaluated. Using thermodynamically stable low-index surface truncations, as well as stepped defect features 4 , we identify facile pathways for full demethylation of the TMA precursor on the LMO surface. Trends from microbalance experiments indicate sub-monolayer film coverage for ~10 ALD cycles, wherein film growth is initially slow, but gradually increases until the limit of a fully formed Al 2 O 3 film is reached. DFT calculations suggest that sluggish film growth at the onset is predicated by site blocking from decomposed CH 3 groups. An electronic structure descriptor is presented to demonstrate evidence that, in early ALD pulses, Al 2 O 3 preferentially nucleates at sites on LMO that are most susceptible to Mn dissolution. The chemical nature of these relevant defect sites will be discussed further in the context of Mn dissolution through charge disproportionation, with enhanced stability by selective nucleation of the protective films. The unique mechanisms for ALD on LMO lead to modest enhancements in electrochemical performance for only ~1-2 ALD cycles, whereas cycling capabilities reduce with further TMA/H 2 O pulses in the limit of a fully formed coating on the substrate. This research was supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.
Pacritinib Combined with Sirolimus and Low-Dose Tacrolimus for GVHD Prevention after Allogeneic Hematopoietic Cell Transplantation: Preclinical and Phase I Trial Results (2021)

We demonstrate that PAC/SIR/TAC is safe and preliminarily limits acute GVHD, preserves donor CMV immunity, and permits timely engraftment. The efficacy of PAC/SIR/TAC will be tested in our ongoing phase II GVHD prevention trial.
Improved Temporal Stability of the Second-Order Nonlinear Optical Effect in a Sol−Gel Matrix Bearing an Active Chromophore (1998)

A second-order nonlinear optical (NLO) chromophore (disperse red 1) was reacted with (3-isocyanatopropyl)triethoxysilane to form a functionalized silicon alkoxide precursor (SGDR1). To improve the temporal stability of the second-order NLO effect, we employed a thermal cross-link between the organic side groups themselves. (3-Glycidoxypropyl)trimethoxysilane was mixed with SGDR1 in tetrahydrofuran (SGDR1/GPTS). We compared the temporal stability of the poled samples with SGDR1 and SGDR1/GPTS. We investigated second-order NLO properties of sol−gel films by virtue of second harmonic generation (SHG) and linear electrooptic (E/O) coefficient measurements for the purpose. We achieved much improvement in the temporal stability of second-order NLO effect at high temperature with the heterogeneous films.
Alpha‐fetoprotein: Is the Pattern of Concanavalin A‐affinity Molecular Variants a Marker for Synthesis by Neoplastic Cells in the Rat? (1978)

The post‐secretory metabolism of the two concanavalin A‐affinity molecular variants of rat alpha‐fetoprotein was studied in normal adult rats. The serum half‐lives of the two alpha‐fetoprotein molecular variants and unfractionated alpha‐fetoprotein are the same. There is no quantitatively significant interconversion of the two alpha‐fetoprotein concanavalin A‐affinity molecular variants in normal adult rat serum. These results indicate that the pattern of alpha‐fetoprotein concanavalin A‐affinity molecular variants present in rat serum reflects their relative rates of synthesis rather than differences in their rates of catabolism following secretion from the liver cell.
ChemInform Abstract: 1,8‐Diazabicyclo[5.4.0]undec‐7‐ene‐promoted Regioselective Elimination of Vicinal Dibromides Having an Adjacent O‐ and/or‐ N‐Functional Group. (2012)

Abstract The mild elimination reaction shows poor regioselectivity and high stereoselectivity for the compound (VII).
Metastasis suppressor genes for prostate cancer (1996)

To examine the role of human chromosomes in the development of metastatic prostate cancer, we introduced a copy of human chromosomes into highly metastatic Dunning R-3327 rat prostatic cancer cells by microcell-mediated chromosome transfer. Each microcell hybrid clones containing human chromosomes 8, 10, 11, and 17, respectively, showed decreased ability to metastasize to the lung, without any loss of tumorigenicity. This finding demonstrates that these human chromosomes contain metastasis suppressor genes for prostate cancer. Spontaneous deletion of portions of human chromosomes was observed in human chromosome 10, 11, and 17 studies. In the human chromosome 8 study, irradiated microcell-mediated chromosome transfer was performed to enrich chromosomal arm deletions of human chromosome 8. Relationships between the size of human chromosomes introduced into microcell hybrid clones and the number of lung metastases produced by the clones were analyzed to determine which part of human chromosomes contained metastasis suppressor gene(s) for prostate cancer. Molecular and cytogenetic analyses of microcell hybrid clones demonstrated that metastasis suppressor genes on human chromosomes 8, 10, and 11 were located on 8p23-q12, 10q, 11p13-11.2, respectively. Further analyses are proposed to confirm the potentially useful advantage of this assay system to identify metastasis suppressor gene(s) for prostate cancer.
Prediction of plasticization mechanisms for biobased plastics through a combined experimental and molecular dynamics simulations approach (2018)

Prediction of plasticization mechanisms for biobased plastics through a combined experimental and molecular dynamics simulations approach
Chemistry and Mechanical Properties of Epoxy-Based Thermosets Reinforced by Reactive and Nonreactive SBMX Block Copolymers (2004)

Polystyrene-block-polybutadiene-block-poly[(methyl methacrylate)-stat-(methacrylic acid)] (SB(MA)) block copolymers incorporating acid-reactive functionalities in the last block have been synthesized and studied as modifiers for epoxy thermosets based on the diglycidyl ether of bisphenol A (DGEBA). Different techniques including differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), and transmission electron microscopy (TEM) have been used to demonstrate the effectiveness of the reaction-induced modification compared to that with the nonreactive or slowly reacting polystyrene-block-polybutadiene-block-poly[(methyl methacrylate)-stat-(tert-butyl methacrylate)] SB(MT) triblock copolymer. Morphological characteristics revealed by TEM indicate that SB(MT) and SB(MA) are both miscible with the epoxy prepolymer. The kinetics of grafting, network formation, and possibly phase separation were quantified from FT-IR, DSC, and cloud point investigations of DGEBA/DDS (4,4‘-diaminodiphenyl sulfone) as an epoxy−thermoset model system in the presence of poly[(methyl methacrylate)-stat-(methacrylic acid)] (HT121) or the block copolymers. The cure of the thermoset/block copolymer system has been explored using six different curing processes: 2-phenylimidazole (2-PI), alone or in the presence of methyltetrahydrophthalic anhydride (MTHPA) as comonomer, accelerated dicyandiamide (DICY), and three different diamines as comonomers without accelerator: 4,4‘-methylenebis(3-chloro-2,6-diethylaniline) (MCDEA), 4,4‘-methylenedianiline (MDA), and DDS. The use of reactive block copolymers instead of nonreactive ones permits a better control of morphology. The materials' performances are analyzed in terms of transparency, glass transition temperature, Tg, and linear elastic mechanics at break (critical intensity factor, KIC).
Unsupervised Learning of Spatiotemporally Coherent Metrics (2014)

Current state-of-the-art classification and detection algorithms rely on supervised training. In this work we study unsupervised feature learning in the context of temporally coherent video data. We focus on feature learning from unlabeled video data, using the assumption that adjacent video frames contain semantically similar information. This assumption is exploited to train a convolutional pooling auto-encoder regularized by slowness and sparsity. We establish a connection between slow feature learning to metric learning and show that the trained encoder can be used to define a more temporally and semantically coherent metric.
Application of a New Controlled Release Concept in Household Products (1976)

As the public became more increasingly aware of contamination of our environment, they joined efforts with environmentalists to force federal and state governments to pass legislation regulating the use of harmful pesticides or industrial pollutants that may ultimately endanger man and his surroundings. This has resulted in many legal control measures emphasizing the need for effective, safe pesticides. In the area of pesticides, proposed regulations dealt not only with the active ingredients but were also extended to propellant gases used in various aerosol products. Arguments - pro and con - on the effect of these gases upon the atmosphere's ozone layer are a constant subject of debate. The rampant use of chemicals, among other things, has often resulted in the development of pesticide-resistant strains of pests. In addition to hazards arising from pesticide residues, increased outbreaks of secondary pests have also resulted from the accidental destruction of natural predators (1).