gebhart/patrepeval huggingface dataset:
A Model of Polymeric Nanopropulsion Engine (2007)

We have performed molecular dynamics simulations and developed a scaling model of a nanopropulsion engine. The engine consists of a nozzlelike pore with catalytic sites located at the closed end of the nozzle. The nozzle is immersed in a solution of monomers that serves as a “fuel” for the polymerization reaction. The engine can be thought of as an analogue of the jet propulsion engine that secretes polymers in a solution and utilizes polymer viscoelasticity for its motion. Using scaling analysis, we have established that the nozzle velocity is proportional to the chain's polymerization rate with the proportionality coefficient being determined by the nozzle geometry, the nozzle friction coefficient, and the dynamics of the polymer chains inside the nozzle. The results of the molecular dynamics simulations are in remarkable agreement with the predictions of the scaling model.
Spin Correlations Among Narrow-Band Electrons (1964)

In order to study the properties of narrow-band d electrons, it is convenient to study primarily ionic transition-metal compounds in which the broad-band states are separated into a filled valence band, an empty conduction band. A general Hamiltonian for this class of compound is presented. Since there is no analytic expression for the many-body spin-correlation energy of collective electrons, the Heisenberg exchange Hamiltonian for localized electrons is extrapolated continuously to the narrow-band case. In order to test the validity and power of this approach, it is used to construct a schematic energy diagram for orthorhombic MnP. The signs and relative magnitudes of the different exchange interactions follow from this diagram. The interaction along the orthorhombic c axis is predicted to be particularly sensitive to c-axis spacing, and therefore to increase with decreasing temperature and to induce significant exchange striction. The ground-state spin configurations are calculated from the Heisenberg exchange Hamiltonian, given these interactions. The antiferromagnetic⇌ferromagnetic transition found at 50°K and the metamagnetism of the low-temperature phase are found to follow from the model. The low-temperature magnetic phase is predicted to be a simple cycloidal spiral propagating along the orthorhombic c axis with spins in the b-c plane. However, the spiral is distorted by anisotropy and exchange striction, so that the turn angle is not uniform but is modulated with a wavelength half the spiral wavelength. The c-axis spacing is similarly modulated with a strain amplitude ε0∼0.015.
Virus‐like, double‐stranded RNAs in the parasitic protozoan Cryptosporidium parvum (1997)

We have discovered and analysed two novel, linear extrachromosomal double-stranded RNAs (dsRNAs) within oocysts of major north Amercian isolates of Cryptosporidium parvum, a parasitic protozoan that infects the gastrointestinal tract of a variety of mammals, including humans. These dsRNAs were found to reside within the cytoplasm of sporozoites, and were not detected in other species of the genus. cDNAs representing both dsRNA genomes were cloned and sequenced, 1786 and 1374 nt, and each encoded one large open reading frame (ORF). The deduced protein sequence of the larger dsRNA (L-dsRNA) had homology with viral RNA-dependent RNA polymerases (RDRP), with more similarity to polymerases from fungi than those from other protozoa. The deduced protein sequence from the smaller dsRNA (S-dsRNA) had limited similarity with mitogen-activated c-June NH2 terminal protein kinases (JNK) from mammalian cells. Attempts to visually identify or purify virus-like particles associated with the dsRNAs were unsuccessful. Sensitivity of the dsRNAs to RNase A also suggests that the dsRNAs may be unencapsidated. A RDRP activity was identified in crude extracts from C. parvum sporozoites and products of RNA polymerase activity derived in vitro were similar to the dsRNAs purified directly from the parasites.
Mapping the sequence specificity of heterotypic amyloid interactions enables the identification of aggregation modifiers (2021)

Abstract Heterotypic amyloid interactions between related protein sequences have been observed in functional and disease amyloids. While sequence homology seems to favour heterotypic amyloid interactions, we have no systematic understanding of the structural rules determining such interactions nor whether they inhibit or facilitate amyloid assembly. Using structure-based thermodynamic calculations and extensive experimental validation, we performed a comprehensive exploration of the defining role of sequence promiscuity in amyloid interactions. Using this knowledge, we demonstrate, using tau as a model system, that predicted cross-interactions driven by sequence homology indeed can modify nucleation, fibril morphology, kinetic assembly and cellular spreading of aggregates. We also find that these heterotypic amyloid interactions can result in the mis-localisation of brain-expressed protein sequences with prevalent activities in neurodegenerative disorders. Our findings suggest a structural mechanism by which the proteomic background can modulate the aggregation propensity of amyloidogenic proteins and discuss how such sequence-specific proteostatic perturbations could contribute to the selective cellular susceptibility of amyloid disease progression.
Aging, Brain Plasticity, and Integrative Preventive Medicine (2017)

This chapter reviews aging and the brain from an important, alternative, still-underappreciated scientific and medical perspective. It briefly describes the history of brain plasticity-related neuroscience, then describes change processes that shape our brains in ways that ultimately distinguish the typical struggling older versus peak-performing younger brain. It considers how and why processes that contribute to personal growth at a younger age are commonly thrown into reverse at an older age. It reviews the development of new brain science–based tools that appear to throw the “plasticity switch” for brain health back in a corrective and strengthening direction, where change processes again support the growth and the more reliable maintenance of physical and functional brain health. Finally, it summarizes how this translational science shall almost certainly evolve to enable a new, neuroscience-directed medical era of brain health management for our older-age populations.
Synthesis of highly sulfonated poly(arylene ether sulfone) random(statistical) copolymers via direct polymerization (2001)

Novel biphenol-based wholly aromatic poly (arylene ether sulfones) containing pendant sulfonate groups were prepared by direct aromatic nucleophilic substitution polycondensation of disodium 3,3′-disulfonate-4,4′-dichlorodiphenyl sulfone (SDCDPS), 4,4′-dichlorodiphenylsulfone (DCDPS) and biphenol. Copolymerization proceeded quantitatively to high molecular weight in N-methyl-2-pyrrolidinone at 190°C in the presence of anhydrous potassium carbonate. Tough membranes were successfully cast from the control and the copolymers, which had a SDCDPS/DCDPS mole ratio of either 40:60 or 60:40 using N,N-dimethylactamide; the 100% SDCDPS homopolymer was water soluble. Short-term aging (30 min) indicates that the desired acid form membranes are stable to 220°C in air and conductivity values at 25°C of 0.110 (40%) and 0.170 S/cm (60%) were measured, which are comparable to or higher than the state-of-the art fluorinated copolymer Nafion 1135 control. The new copolymers, which contain ion conductivity sites on deactivated rings, are candidates as new polymeric electrolyte materials for proton exchange membrane (PEM) fuel cells. Further research comparing their membrane behavior to post-sulfonated systems is in progress.
Geoelectrical measurement and modeling of biogeochemical breakthrough behavior during microbial activity (2009)

We recorded bulk electrical conductivity ( σ b ) along a soil column during microbially‐mediated selenite oxyanion reduction. Effluent fluid electrical conductivity and early time σ b were modeled according to classic advective‐dispersive transport of the nutrient medium. However, σ b along the column exhibited strongly bimodal breakthrough which cannot be explained by changes in the electrical conductivity of the pore fluid. We model the anomalous breakthrough by adding a conduction path in parallel with the fluid phase, with a time dependence described by a microbial population‐dynamics model. We incorporate a delay time to show that breakthrough curves along the column satisfy the same growth model parameters and offer a possible explanation based on biomass‐limited growth that is delayed with distance from influent of the nutrient medium. Although the mechanism causing conductivity enhancement in the presence of biomass is uncertain, our results strongly suggest that biogeochemical breakthrough curves have been captured in geoelectrical datasets.
Shaping contactless radiation forces through anomalous acoustic scattering (2022)

Waves impart momentum and exert force on obstacles in their path. The transfer of wave momentum is a fundamental mechanism for contactless manipulation, yet the rules of conventional scattering intrinsically limit the radiation force based on the shape and the size of the manipulated object. Here, we show that this intrinsic limit can be broken for acoustic waves with subwavelength-structured surfaces (metasurfaces), where the force becomes controllable by the arrangement of surface features, independent of the object's overall shape and size. Harnessing such anomalous metasurface scattering, we demonstrate complex actuation phenomena: self-guidance, where a metasurface object is autonomously guided by an acoustic wave, and tractor beaming, where a metasurface object is pulled by the wave. Our results show that bringing the metasurface physics of acoustic waves, and its full arsenal of tools, to the domain of mechanical manipulation opens new frontiers in contactless actuation and enables diverse actuation mechanisms that are beyond the limits of traditional wave-matter interactions.
Reduction of numerical diffusion in three-dimensional vortical flowsusing a coupled Eulerian/Lagrangian solution procedure (1993)

A new approach based on the coupling of an Eulerian and a Lagrangian solver, aimed at reducing the numerical diffusion errors of standard Eulerian time-marching finite-volume solvers, is presented. The approach is applied to the computation of the secondary flow in two bent pipes and the flow around a 3D wing. Using convective point markers the Lagrangian approach provides a correction of the basic Eulerian solution. The Eulerian flow in turn integrates in time the Lagrangian state-vector. A comparison of coarse and fine grid Eulerian solutions makes it possible to identify numerical diffusion. It is shown that the Eulerian/Lagrangian approach is an effective method for reducing numerical diffusion errors.
Supplementary Figure 2 from The Expression of Adenosine A2B Receptor on Antigen-Presenting Cells Suppresses CD8<sup>+</sup> T-cell Responses and Promotes Tumor Growth (2023)

&lt;p&gt;Supplementary Figure 2&lt;/p&gt;
Iterative Cr-Mediated Catalytic Asymmetric Allylation To Synthesize syn/syn- and anti/anti-1,3,5-Triols (2008)

Iterative use of Cr-mediated catalytic asymmetric allylation could give a simple access to 1,3-polyols. Using syn/syn- and anti/anti-1,3,5-triols as representative examples, the feasibility of this approach is studied, thereby demonstrating that (1) the pre-existing TMS-protected alcohol at the beta-position does not give a significant effect on the Cr-mediated catalytic asymmetric allylation and (2) this synthetic route furnishes the expected syn/syn- and anti/anti-1,3,5-triols at the useful level of asymmetric induction and yield.
Dynamics of a Ferroelectric Liquid Crystal with a Naphthalene Ring during Electric-Field-Induced Switching Studied by Time-Resolved Infrared Spectroscopy Combined with Two-Dimensional Correlation Spectroscopy (2003)

The dynamics of a ferroelectric liquid crystal with a naphthalene ring (FLC-3) during the electric-field-induced switching between two surface-stabilized ferroelectric liquid crystal states were investigated by time-resolved infrared (IR) spectroscopy combined with two-dimensional (2D) correlation spectroscopy. Time-resolved IR spectra of FLC-3 in a planar-aligned cell were measured as a function of the polarization angle range from 0 degree to 180 degrees under a rectangular electric field of +/- 40 V with a 5 kHz frequency in the smectic-C* (Sm-C*) phase at 137 degrees C. From these spectra we explore details about the reorientation process of the alkyl chains, the core, and the large C=O dipole moments of FLC-3 at all the delay times. The 2D correlation spectroscopy was applied to the polarization-angle-dependent spectra for different delay times and to the time-resolved spectra at certain polarization angles to reveal the relative orientation of the C=O groups and the core moiety during the electric-field-induced switching. It was found from the present study that the relative orientation of the C=O groups and the core remains unchanged during the initial period of the reorientation, while it is reversed at a certain moment and then kept unchanged again. Moreover, the alkyl chains, C=O groups, and core moieties posses different dynamics during the fast course of electric-field-induced switching by analyzing time-resolved spectra.
Erratum: “Near-band-edge photoluminescence of wurtzite-type AlN” [Appl. Phys. Lett. 81, 2755 (2002)] (2003)

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Al2O3/InGaAs Metal-Oxide-Semiconductor Interface Properties: Impact of Gd2O3and Sc2O3Interfacial Layers by Atomic Layer Deposition (2014)

The use of InGaAs as a high carrier mobility CMOS-channel material requires a proper electrical passivation of its interface with the gate dielectric. We investigate InGaAs passivation by Atomic Layer Deposition (ALD) of Al2O3, Gd2O3, and Sc2O3 using tri-methylaluminum (TMA), (iPrCp)3Gd, (MeCp)3Sc, and H2O as precursors. We discuss the impact of the starting precursor and TMA exposure during the initial cycles of Al2O3 on the interface trap density (Dit), frequency dispersion, leakage current, and breakdown field. Increasing the TMA pulse time to five seconds during the first five cycles reduce the Dit to 1.8 × 1012 eV−1 cm−2, while frequency dispersion, leakage current and breakdown field generally improve. Gd2O3 and Sc2O3 interfacial layers between InGaAs and Al2O3 are examined. The initial growth study of Gd2O3 ALD on InGaAs indicates growth inhibition as compared to the hydrophilic SiO2/Si substrate. Gd2O3 and Sc2O3 improve the interface in terms of Dit and border traps. The improvement depends on the initial precursor pulse lengths, and on the Gd- or Sc-content. The lowest Dit values, 2.5 × 1012 eV−1 cm−2 and 1.8 × 1012 eV−1 cm−2, are obtained for four cycles of Sc2O3 and Gd2O3, respectively. Interfacial self-cleaning by TMA, (iPrCp)3Gd, and (MeCp)3Sc is demonstrated by X-ray Photo-electron Spectroscopy and Time-of-flight secondary ion mass Spectroscopy.
Technical Advances in Renal Replacement Therapy (2011)

Critically ill patients are subject to several risk factors for organ injury: surgical intervention, trauma, rhabdomyolysis, hemodynamic instability, organ hypoperfusion, bacteremia and endotoxemia, sepsis and septic shock. These conditions may cause acute kidney injury (AKI), myocardial dysfunction, liver failure, coagulation abnormalities, acute lung injury (ALI), adult respiratory distress syndrome (ARDS), bone marrow depression, loss of acid/base homeostasis, and finally, brain dysfunction. The resulting picture of multiple organ dysfunction syndrome (MODS) is a lethal clinical entity that is refractory to all therapies in the majority of cases. According to the "humoral theory of sepsis", soluble substances circulate in blood and participate in the generation of the different disorders of MODS; thus, AKI is not the only clinical disorder observed in intensive care unit (ICU) patients nor is it an isolated syndrome. Current extracorporeal management of such patients focuses mainly on renal replacement therapy (RRT). Nevertheless, in recent years, technical evolution of extracorporeal devices led to the potential creation of multiple organ support therapy (MOST) in order to provide a comprehensive replacement of multiorgan dysfunction: hence, other organs (liver, heart, lungs) and syndromes (abdominal sepsis, septic shock) can today be consistently supported and bridged. The technical advances of extracorporeal equipment, moreover, might allow today the design of a dedicated pediatric RRT device in order to treat patients below 10 kg, with the safety and adequacy standards that are currently granted to the adult population. This review will describe the technical evolution of MOST machines and current literature available on MOST.
cGAN-Based Manga Colorization Using a Single Training Image (2017)

The Japanese comic format known as Manga is popular all over the world. It is traditionally produced in black and white, and colorization is time consuming and costly. Automatic colorization methods generally rely on greyscale values, which are not present in manga. Furthermore, due to copyright protection, colorized manga available for training is scarce. We propose a manga colorization method based on conditional Generative Adversarial Networks (cGAN). Unlike previous cGAN approaches that use many hundreds or thousands of training images, our method requires only a single colorized reference image for training, avoiding the need of a large dataset. Colorizing manga using cGANs can produce blurry results with artifacts, and the resolution is limited. We therefore also propose a method of segmentation and color-correction to mitigate these issues. The final results are sharp, clear, and in high resolution, and stay true to the character's original color scheme.
Experimental investigation of active adaptability of the SMArt (SMA reseTtable) dual-chamber pneumatic lift device for pedestrian protection (2008)

The rapid urbanization of the world has led to an increase in pedestrian involvement in automotive crashes, prompting some countries to establish pedestrian regulations. A promising approach to address pedestrian safety is the use of active lift devices to raise the hood upon detection of a pedestrian impact, thereby increasing the crush distance between the hood and vehicle hard points (i.e. engine). Current systems are generally not reusable or resettable and lack extrinsic effect compensation. The dual chamber SMArt (SMA ReseTtable) lift system presented in this paper is a fully automatically resettable system utilizing a stored energy approach with a pneumatic cylinder and a two stage ultrafast shape memory alloy (SMA) actuated valve. This active lift possesses the unique functionality to tailor lift performance and compensate for extrinsic effects such as changes in temperature, mass, and platform using cylinder pressure and exhaust valve opening timing profile as operating parameters. As a proof of concept, a dual chamber SMArt lift system was designed, fabricated, and installed in a vehicle hood bay testbed. Full cycle tests demonstrated the functions of lift, lower and reset within the proper timing. The effect of additional mass, was experimentally characterized and two insitu device parameters, pressure and valve profile, were investigated as means to mitigate these extrinsic effects. This experimental study indicates that the dual chamber SMArt lift device may be a feasible alternative for pedestrian protection with automatic reset/reusability along with capability to adapt in-situ to maintain performance within a narrow timing window by compensating for extrinsic effects.
Audio proto objects for improved sound localization (2009)

In this article we present a new framework for auditory processing that combines feature extraction and grouping processes to form what we call audio proto objects. These proto objects combine an arbitrary number of audio features in a compact representation that allows a more precise sound localization and also better interfacing to behavior-control in robotics. We compare our standard sound localization system with the new approach in several scenarios to demonstrate the potential of the new approach.
Accurate latency estimation in a distributed event processing system (2011)

A distributed event processing system consists of one or more nodes (machines), and can execute a directed acyclic graph (DAG) of operators called a dataflow (or query), over long-running high-event-rate data sources. An important component of such a system is cost estimation, which predicts or estimates the “goodness” of a given input, i.e., operator graph and/or assignment of individual operators to nodes. Cost estimation is the foundation for solving many problems: optimization (plan selection and distributed operator placement), provisioning, admission control, and user reporting of system misbehavior. Latency is a significant user metric in many commercial real-time applications. Users are usually interested in quantiles of latency, such as worst-case or 99 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">th</sup> percentile. However, existing cost estimation techniques for event-based dataflows use metrics that, while they may have the side-effect of being correlated with latency, do not directly or provably estimate latency. In this paper, we propose a new cost estimation technique using a metric called Mace (Maximum cumulative excess). Mace is provably equivalent to maximum system latency in a (potentially complex, multi-node) distributed event-based system. The close relationship to latency makes Mace ideal for addressing the problems described earlier. Experiments with real-world datasets on Microsoft StreamInsight deployed over 1-13 nodes in a data center validate our ability to closely estimate latency (within 4%), and the use of Mace for plan selection and distributed operator placement.
Wideband Vector Corrected Measurements on a Modified Vector Network Analyzer (VNA) System (2022)

Vector corrected wideband measurements on a modified vector network analyzer system are presented using wideband modulated signals as stimulus. The modified system allows intermediate frequency (IF) bandWidths exceeding 5 GHz based on external wideband IF access, signal conditioning and digitalization. A combined RF and IF calibration has been developed that allows full-band calibration using CW excitation, while measurements are made with wideband modulated signals. Impedance measurements verify excellent accuracy at -59dB deviation for an electrically switched impedance which is only a few dB less than for narrowband measurements. Repeatability of calculated error terms for consecutive calibrations also show comparable performance as for narrow-band measurements. Wideband one-port impedance measurements at 12.5 GHz using a Schroeder signal with 500 MHz instantaneous bandwidth show less than -50dB deviation with coherent averaging even without correcting for mixer distortion.
ChemInform Abstract: Lipase‐Catalyzed Acetylation of 3‐Substituted 2,3‐Dihydro‐1H‐1,4‐benzodiazepin‐2‐ones: Effect of Temperature and Conformation on Enantioselectivity and Configuration. (1998)

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.
A CMOS compatible low temperature process for photonic crystal MEMS scanner (2009)

We report a CMOS-compatible low-temperature process for electrostatic MEMS scanner with highly reflective photonic crystal mirror in the near IR region. The photonic crystal was made in the EB-evaporated amorphous silicon layer deposited on the MEMS scanner. The reflectivity was found over 90 % at 1.55 mum wavelength. Mechanical angle displacement of 6 degree was obtained with an applied voltage of 25 Vpp at the resonance frequency of 3.36 kHz.