gebhart/patrepeval huggingface dataset:
<title>Hole transport in N,N'-bis(2,2-diphenylvinyl)-N,N'-diphenylbenzidine- doped polymers</title> (1996)

Hole mobilities have been measured in N,N'-bis(2,2- diphenylvinyl)-N,N'-diphenylbenzidine (ENA) doped into a series of different polymers. At room temperature, the mobilities vary by over four orders of magnitude. The results are described within the framework of a formalism based on disorder. The formalism is based on the assumption that charge transport occurs by hopping through a manifold of localized states that are distributed in energy. The key parameter of the formalism is the energy width of the hopping site manifold or DOS (density-of-states). For ENA doped polymers, the widths are between 0.084 and 0.118 eV. The width is described by an argument based on dipolar disorder. The argument is based on the assumption that the width is comprised of a dipolar component and a van der Waals component. The dipolar component is comprised of a dopant contribution due to the ENA and a polymer contribution. The differences in mobilities of these materials are attributed to differences in the polymer dipolar components.
Mode-detection via median-shift (2009)

Median-shift is a mode seeking algorithm that relies on computing the median of local neighborhoods, instead of the mean. We further combine median-shift with Locality Sensitive Hashing (LSH) and show that the combined algorithm is suitable for clustering large scale, high dimensional data sets. In particular, we propose a new mode detection step that greatly accelerates performance. In the past, LSH was used in conjunction with mean shift only to accelerate nearest neighbor queries. Here we show that we can analyze the density of the LSH bins to quickly detect potential mode candidates and use only them to initialize the median-shift procedure. We use the median, instead of the mean (or its discrete counterpart - the medoid) because the median is more robust and because the median of a set is a point in the set. A median is well defined for scalars but there is no single agreed upon extension of the median to high dimensional data. We adopt a particular extension, known as the Tukey median, and show that it can be computed efficiently using random projections of the high dimensional data onto 1D lines, just like LSH, leading to a tightly integrated and efficient algorithm.
On electron transport in fast ignition research and the use of few-cycle PW-range laser pulses (2005)

In this contribution, we address laser-driven electron transport in fast ignition research and the need for ultra-fast (<10 fs) pump-probe diagnostics to study, on the microscopic level, current filamentation and related anomalous energy deposition. Rates of instability growth consistent with realistic fast ignition parameters are discussed. A 3D-hybrid-PIC simulation is presented as an illustrative case. The development of 5 fs PW-range laser pulses at MPQ is reported, which may generate ultra-bright VUV-, x-ray, electron and ion beam pulses to be used for ultra-fast plasma probing. © 2005 IOP Publishing Ltd.
Exploring Lateral Microphase Separation in Mixed Polymer Brushes by Experiment and Self-Consistent Field Theory Simulations (2011)

Similar to block copolymers, mixed polymer brushes are physically constrained and, upon annealing, microphase separate into nanodomains with morphologies largely dependent on the volume fractions of the polymers. A combination of experimental analysis of polystyrene (PS)/poly(methyl methacrylate) (PMMA) brushes and self-consistent field theory (SCFT) simulations is employed to determine the phases of annealed binary brushes. By annealing the brushes under conditions that maximize lateral versus vertical separation, a rich array of phases are observed with general agreement to predictions by SCFT simulations. The incorporation of random perturbations to the grafting density in SCFT simulations accounts for disorder in the arrangement of the polymer domains for the PS/PMMA brushes. Additionally, autocorrelation of the polymer domains yields an experimental domain spacing that is nearly 2 times greater than SCFT predictions, which is hypothesized to result from polydispersity in the PS/PMMA brushes. These findings should provide a basis for the improved fabrication of nanopatterned mixed polymer brushes with implications for the enhancement of biological surfaces, membranes, and nanolithography.
Theory and Modeling of Platinum Surface Reactions (2015)

The formation and reduction of surface oxide species determine both the electrocatalytic activity of Pt towards the oxygen reduction reaction as well as the rate of corrosive Pt dissolution [1]. We perform theory and modeling work to rationalize the various stages of oxide formation and reduction at Pt. Our mechanistic models establish relations between metal phase potential and surface oxidation state that govern the transient current response of the electrode, as probed for instance in cyclic voltammetry. In the first part, we will discuss a recently developed kinetic model for oxide formation and reduction at Pt in the voltage range of 0.65–1.15 V [2]. The model is evaluated against electrochemical [3], spectroscopic [4] and computational studies [5]. In the second part, we will present a kinetic model of oxide growth on platinum in the high voltage regime, above 1.15 V. The governing equations of the oxide growth model account for mass and charge conservation, species migration, and electric field effects. As the outcome, we will obtain a generalized oxide growth law of platinum. The results will be compared to experimental cyclic voltammetry data to extract rates of kinetic and transport processes. Moreover, the model incorporates a mechanism of platinum dissolution. Using this model, we strive to explain the dramatically enhanced rate of Pt dissolution at extended surfaces and in nanoparticle systems, observed in experimental studies that involved voltage cycling through the high voltage regime [6,7,8]. Knowledge of the mechanisms of growth and reduction of oxides on platinum will allow us to refine our theory of platinum dissolution in polymer electrolyte fuel cells [9]. References [1] A. Seyeux, V. Maurice, and P. Marcus, J. Electrochem. Soc. 160 , C189 (2013). [2] S. G. Rinaldo, W. Lee, J. Stumper, and M. Eikerling, Electrocatalysis 5 , 262 (2014). [3] A.M. Gómez-Marín, J. Clavilier, J.M. Feliu, J. Electroanal. Chem. 688 , 360 (2013) [4] M. Wakisaka, H. Suzuki, S. Mitsui, H. Uchida, M. Watanabe, Langmuir 25 , 1897 (2009) [5] L. Wang, A. Roudgar, M. Eikerling, J. Phys. Chem. C 113 , 17989 (2009) [6] S. G. Rinaldo, P. Urchaga, J. Hu, W. Lee, J. Stumper, C. Rice, and M. Eikerling, Phys. Chem. Chem. Phys. , submitted. [7] A. A. Topalov, S. Cherevko, A. R. Zeradjanin, J. C. Meier, I. Katsounaros, and K. J. J. Mayrhofer, Chemical Science 5 , 631 (2014). [8] L. Xing, M. A. Hossain, M. Tian, D. Beauchemin, K. T. Adjemian, and G. Jerkiewicz, Electrocatalysis 5 , 96 (2014). [9] S. G. Rinaldo, W. Lee, J. Stumper, and M. Eikerling, Physical Review E 86 , 041601 (2012).
DNA Damage-induced Association of ATM with Its Target Proteins Requires a Protein Interaction Domain in the N Terminus of ATM (2005)

The ATM protein kinase regulates the response of the cell to DNA damage by associating with and then phosphorylating proteins involved in cell cycle checkpoints and DNA repair. Here, we report on deletion studies designed to identify protein domains required for ATM to phosphorylate target proteins and to control cell survival following exposure to ionizing radiation. Deletion studies demonstrated that amino acids 1-150 of ATM were required for the ATM protein to regulate cellular radiosensitivity. Additional deletions and point mutations indicated that this domain extended from amino acids 81-106 of ATM, with amino acid substitutions located between amino acids 91 and 97 inactivating the functional activity of ATM. When ATM with mutations in this region (termed ATM90) was expressed in AT cells, it was unable to restore normal radiosensitivity to the cells. However, ATM90 retained normal kinase activity and was autophosphorylated on serine 1981 following exposure to DNA damage. Furthermore, wild-type ATM displayed DNA-damage induced association with p53, brca1, and LKB1 in vivo, whereas ATM90 failed to form productive complexes with these target proteins either in vivo or in vitro. Furthermore, ATM90 did not phosphorylate p53 in vivo and did not form nuclear foci in response to ionizing radiation. We propose that amino acids 91-97 of ATM contain a protein interaction domain required for the DNA damage-induced association between ATM and its target proteins, including the brca1, p53, and LKB1 proteins. Furthermore, this domain of ATM is required for ATM to form nuclear foci following exposure to ionizing radiation.
Accurate Prediction of Band Gaps in Neutral Heterocyclic Conjugated Polymers (2002)

Heterocyclic π-electron polymers such as polythiophene, polypyrrole, and polyfuran attract wide interest on both experimental and theoretical levels. While the optical properties of these materials are dominated by the band gap, no accurate, reliable computational method currently exists to predict the band gaps of large oligomers. Six computational methods, including ZINDO/CIS, ZINDO/RPA, HF/CIS, HF/RPA, TDDFT/TDA, and TDDFT are compared here for a set of 60 structurally well-defined heterocyclic oligomers of varied structure. All six methods are compared using both AM1 semiempirical and B3LYP DFT predicted geometries. Among the methods, the semiempirical ZINDO/CIS method applied to DFT-predicted geometries affords the best agreement between computed and experimental band gaps, yielding an RMS error of 0.31 eV over the data set considered. Analysis of the computed band gaps provides a simple, straightforward empirical correction that significantly improves the accuracy of all six methods, with RMS errors between 0.23 eV and 0.44 eV for TDDFT using DFT-predicted geometries and for ZINDO/RPA using AM1-predicted geometries, respectively.
DNA complexes with dyes designed for energy transfer as fluorescent markers (2023)

Heteromultimeric fluorophores are provided for binding to DNA, which allow for the detection of DNA in electrical separations and preparation of probes having high-fluorescent efficiencies and large Stokes shifts. In addition, by appropriate choice of fluorescent molecules, one can use a single narrow wavelength band excitation light source, while obtaining fluorescent emissions having sufficient separation to be readily discriminated.
A phase 1 study of the bispecific anti-CD30/CD16A antibody construct AFM13 in patients with relapsed or refractory Hodgkin lymphoma (2015)

AFM13 is a bispecific, tetravalent chimeric antibody construct (TandAb) designed for the treatment of CD30-expressing malignancies. AFM13 recruits natural killer (NK) cells via binding to CD16A as immune effector cells. In this phase 1 dose-escalation study, 28 patients with heavily pretreated relapsed or refractory Hodgkin lymphoma received AFM13 at doses of 0.01 to 7 mg/kg body weight. Primary objectives were safety and tolerability. Secondary objectives included pharmacokinetics, antitumor activity, and pharmacodynamics. Adverse events were generally mild to moderate. The maximum tolerated dose was not reached. Pharmacokinetics assessment revealed a half-life of up to 19 hours. Three of 26 evaluable patients achieved partial remission (11.5%) and 13 patients achieved stable disease (50%), with an overall disease control rate of 61.5%. AFM13 was also active in brentuximab vedotin-refractory patients. In 13 patients who received doses of ≥1.5 mg/kg AFM13, the overall response rate was 23% and the disease control rate was 77%. AFM13 treatment resulted in a significant NK-cell activation and a decrease of soluble CD30 in peripheral blood. In conclusion, AFM13 represents a well-tolerated, safe, and active targeted immunotherapy of Hodgkin lymphoma. A phase 2 study is currently planned to optimize the dosing schedule in order to further improve the therapeutic efficacy. This phase 1 study was registered at www.clinicaltrials.gov as #NCT01221571.
Immunoregulatory effects of multipotent adult progenitor cells in a porcine ex vivo lung perfusion model (2017)

Although no physiologic effect of MAPC cell distribution in the airways was detected during EVLP, we observed a reduction in pro-inflammatory cytokines and neutrophils in BAL in the MAPC cell group. This effect on the innate immune system might play an important role in critically modifying the process of PGD after transplantation. Further experiments will have to elucidate the immunoregulatory effect of MAPC cell administration on graft function after transplantation.
ChemInform Abstract: Asymmetric Epoxidation of α,β‐Unsaturated Ketones Catalyzed by Chiral Ytterbium Complexes. (2002)

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.
Assessment of segmental wall motion abnormalities using contrast two-dimensional echocardiography in awake mice (2001)

Murine models of cardiac disease are becoming an important tool for studying pathophysiological processes. Development of methods to accurately assess ventricular function are therefore important. The purpose of this study was to evaluate the feasibility of echocardiographic assessment of segmental wall motion abnormalities in a murine model of myocardial infarction. Two-dimensional contrast (C+) and noncontrast (C-) echocardiography were performed in 76 awake mice 2 days before and 2 days after left coronary ligation. The short-axis images obtained with two-dimensional echocardiography and corresponding postmortem cross-sectional histological samples stained with Evans blue dye were each divided into 16 segments, and all matched segments were examined for correlation between wall motion abnormalities and myocardial hypoperfusion. With the use of contrast enhancement, the number of visualized segments was significantly increased (base: C- 86%, C+ 98%; midpapillary: C- 57%, C+ 89%; apex: C- 30%, C+ 74%). Agreement between echocardiographically assessed regional wall motion abnormalities and pathologically determined hypoperfusion in basal, midpapillary, and apical levels were 90%, 93%, and 93%, respectively. Agreement between echocardiographically normal wall motion and pathologically normal findings in basal, midpapillary, and apical levels were 99%, 88%, and 71%, respectively. Thus echocardiographic assessment of segmental wall motion in awake mice was feasible and the accuracy was improved with the use of a contrast agent.
Achievable Sum DoF of the K-User MIMO Interference Channel with Delayed CSIT (2016)

This paper considers a K-user multiple-input multiple-output (MIMO) interference channel (IC) where 1) the channel state information obtained by the transmitters (CSIT) is completely outdated and 2) the number of transmit antennas at each transmitter, i.e., M is greater than the number of receive antennas at each user, i.e., N. The usefulness of the delayed CSIT was first identified in a K-phase retrospective interference alignment (RIA) scheme proposed by Maddah-Ali and Tse for the multiple-input single-output broadcast channel, but the extension to the MIMO IC is a non-trivial step as each transmitter only has the message intended for the corresponding user. Recently, Abdoli et al. focused on a single-input single-output IC and solved such bottleneck by inventing a K-phase RIA with distributed overheard interference retransmission. In this paper, we propose two K-phase RIA schemes suitable for the MIMO IC by generalizing and integrating some key features of both Abdoli's and Maddah-Ali's works. The two schemes jointly yield the best known sum degrees-of-freedom (DoF) performance so far. For the case (M/N)≥K, the achieved sum DoF is asymptotically given by (64/15)N when K→∞.
The Vitamin A Transporting System in Porcine Plasma (1974)

The retinol‐binding protein from porcine serum has been isolated and characterized. Its molecular weight and amino‐acid composition were determined and compared to these data from its human, monkey and rat counterpart. In anology to these proteins pig retinol‐binding protein is under physiological conditions bound to a larger plasma protein and has a carboxyl‐terminal residue of arginine suggesting a general mechanism for the delivery of vitamin A to the tissue cells.
Optimization of Launch Vehicle Ascent Trajectories with Path Constraints and Coast Arcs (2001)

This paper describes improvements made to a hybrid analytic/numerical algorithm for optimization of launch vehicle trajectories. Modifications are described which improve the accuracy of the solution. In addition, the algorithm has been extended to include path constraints for normal force and angle of attack, and the terminal constraints have been generalized to allow optimal attachment to a target orbit defined by inclination, apogee radius and perigee radius. Singularities that occur for circular orbits and for equatorial orbits are identified. Finally, necessary conditions are derived and applied for the introduction of coasting arcs that are typically required for a great variety of missions.
One TPM to Bind Them All: Fixing TPM 2.0 for Provably Secure Anonymous Attestation (2017)

The Trusted Platform Module (TPM) is an international standard for a security chip that can be used for the management of cryptographic keys and for remote attestation. The specification of the most recent TPM 2.0 interfaces for direct anonymous attestation unfortunately has a number of severe shortcomings. First of all, they do not allow for security proofs (indeed, the published proofs are incorrect). Second, they provide a Diffie-Hellman oracle w.r.t. the secret key of the TPM, weakening the security and preventing forward anonymity of attestations. Fixes to these problems have been proposed, but they create new issues: they enable a fraudulent TPM to encode information into an attestation signature, which could be used to break anonymity or to leak the secret key. Furthermore, all proposed ways to remove the Diffie-Hellman oracle either strongly limit the functionality of the TPM or would require significant changes to the TPM 2.0 interfaces. In this paper we provide a better specification of the TPM 2.0 interfaces that addresses these problems and requires only minimal changes to the current TPM 2.0 commands. We then show how to use the revised interfaces to build q-SDH-and LRSW-based anonymous attestation schemes, and prove their security. We finally discuss how to obtain other schemes addressing different use cases such as key-binding for U-Prove and e-cash.
Experimental investigations and FE simulation of exterior BCJs retrofitted with CFRP fabric (2019)

This paper presents the results of experimental and numerical studies conducted to investigate the behavior of exterior reinforced concrete beam column joints (BCJ) strengthened by using carbon fiber reinforced polymer (CFRP) sheets. Twelve reinforced concrete beam-column joints (BCJ) were tested in an experimental program by simulating the joints in seismically deficient old buildings. One group of BCJs was designed to fail in flexure at the BCJ interface, and the second group was designed to ensure joint shear failure. One specimen in each set was -retrofitted with CFRP sheet wrapped diagonally around the joint. The specimens were subjected to both monotonic and cyclic loading up to failure. 3D finite element simulation of the BCJs tested in the experimental program was carried out using the software ABAQUS, adopting the damage plasticity model (CDP) for concrete. The experimental results showed that retrofitting of the shear deficient, BCJs by CFRP sheets enhanced the strength and ductility and the failure mode changed from shear failure in the joints to the desired flexural failure in the beam segment. The FE simulation of BCJs showed a good agreement with the experimental results, which indicated that the CDP model could be used to model the problems of the monotonic and cyclic loading of beam-column reinforced concrete joints.
Random anti-reflection structures on large optics for high energy laser applications (2016)

Random anti-reflection surface structures (rARSSs) have been shown to increase the transmission of an optical surface to &gt;99.9%. They are an attractive alternative to traditional thin film anti-reflection (AR) coatings for several reasons: They provide AR performance over a larger spectral and angular range, and unlike thin film coatings, they are patterned directly into the optic rather than deposited on its surface. As a result, they are not prone to delamination under thermal cycling that can occur with thin film coatings, and their laser damage thresholds can be considerably higher. In this work, an optimized reactive ion etch procedure was used to pattern rARSSs on fused silica windows, with performance optimized for high energy laser applications at 1.06 &mu;m. We have demonstrated scale-up of this processing technique for windows with dimension of up to 33 cm. This work represents what we believe to be the largest diameter nanostructured surface on an inorganic material. The windows have been shown to have a laser damage thresholds at 1.06 &mu;m of &gt;100 J/cm<sup>2</sup> – approaching those of the substrate, and approximately five times higher than those of comparable, high quality thin film AR coatings. We present results for the AR properties and uniformity of these large windows.
Impact of Surfactants and Stabilizers on Palladium Nanoparticle–Hydrogen Interaction Kinetics: Implications for Hydrogen Sensors (2020)

Surfactants and stabilizers are always present on the surfaces of colloidal nanocrystals due to their critical function in promoting selective facet growth and since they are essential to prevent aggregate formation in solution. After synthesis, however, the presence of these molecules on the surface of a nanocrystal is problematic because they potentially significantly alter the nature of the interaction with the environment, which is critical for sensor or catalysis applications. Here, we quantitatively scrutinize this effect experimentally for the four most common stabilizers in Pd nanoparticle synthesis: cetyltrimethylammonium bromide (CTAB), tetraoctylammonium bromide (TOAB), cetyltrimethylammonium chloride (CTAC), and poly(vinylpyrrolidone) (PVP). We use the surface-catalyzed hydrogen sorption and hydride formation reaction in Pd as a model system, due to its high relevance for hydrogen sensors. Specifically, we map in detail the (de)hydrogenation kinetics of arrays of nanofabricated Pd nanodisks in the presence of the surfactants and benchmark it with an uncoated Pd reference. As the key results, we find that the cationic surfactants significantly decelerate the (de)hydrogenation surface reaction, with the amplitude of deceleration mediated by the interplay between the halide-ion–Pd surface interaction strength and surfactant surface density. In contrast, a polymeric PVP coating is found to significantly accelerate hydrogen sorption. For the Pd-based hydrogen sensor application, our findings thus provide important insights for the appropriate choice of a surfactant to minimize the negative impact on hydrogen sorption kinetics and thus hydrogen detection response/recovery times. In a wider perspective, our results dramatically show how nanoparticles can attain different properties depending on what types of surfactants and stabilizers are present on their surface and how critical the quantitative understanding of their impact is for a specific application.