gebhart/patrepeval huggingface dataset:
Giant low-temperature anharmonicity in silicon nanocrystals (2020)

The phonon density of states of silicon nanocrystals with size between 4 and 7.5 nm was measured by inelastic neutron scattering in the $5\ensuremath{\sim}600\phantom{\rule{0.16em}{0ex}}\mathrm{K}$ temperature range. The narrow particle size distributions enable the study of size effects on phonon dynamics. Giant softening of phonon features below 30 meV, universal broadening of phonon features, and the disappearance of intermediate-energy phonons were observed with decreasing nanocrystals size. Such size effects are mostly attributed to the structure variations within the nanocrystals. The phonons below 30 meV in silicon nanocrystals show temperature dependence opposite to the bulk silicon, explained by the large anharmonicity of the under-constrained near-surface phonons. This is supported by the abnormal atomic mean-square-displacement, and low energy phonon population in small silicon nanocrystals. This work provides crucial information on the phonon dynamics in spatially confined materials.
Using Lexical Resources in a Distance-Based Approach to RTE. (2009)

This paper overviews FBK’s participation in the RTE 5 Evaluation Campaign. Our runs, submitted both to the main (two-way classification), and to the pilot task, were obtained through different configurations of EDITS (Edit Distance Textual Entailment Suite) package, the first freely available open source RTE software. The main sources of knowledge used, the different configurations, and the achieved results are described, together with ablation tests representing a preliminary analysis of the actual contribution of different resources to the RTE task. 1
Rtp and the Datagram Congestion Control Protocol (2006)

We describe how the new datagram congestion control protocol (DCCP) can be used as a bearer for the real-time transport protocol (RTP) to provide a congestion controlled basis for networked multimedia applications. This is a step towards deployment of congestion control for such applications, necessary to ensure the future stability of the best-effort network if high-bandwidth streaming and IPTV services are to be deployed outside of closed QoS-managed networks
Supplementary fig 3 from Impact of Genomic and Clinical Factors on Outcome of Children ≥18 Months of Age with Stage 3 Neuroblastoma with Unfavorable Histology and without <i>MYCN</i> Amplification: A Children's Oncology Group (COG) Report (2023)

&lt;p&gt;Supplemental Figure S3 Non-negative Matrix Factorization (NMF) Clustering of Tumor Specimens. (A) Clustering similarity matrix and (B) Silhouette plot of samples by cluster id. (C) Enrichment score for adrenergic (ADRN), mesenchymal (MES), and Schwann cell profile (SCP) gene signatures.&lt;/p&gt;
Clinical Evaluation and Computed Tomography Scan Analysis of Screw Tracts After Percutaneous Insertion of Pedicle Screws in the Lumbar Spine (2000)

This study has shown that percutaneous insertion of pedicle screws in the lumbar spine is a safe and reliable technique. Despite the low misplacement rate of only 6.6%, it should be kept in mind that the surgical procedure is technically demanding and should be performed only by experienced spine surgeons.
Energy Transfer in the Luminescent System Na (  Y  , Gd )  F 4 : Ce , Tb (1987)

The luminescent properties of hexagonal have been investigated. For and at room temperature, excitation into the Ce3+ ion results mainly in Tb3+ emission. We also observed two different Ce3+ emissions. This is related to the crystal structure of . It is shown that the excitation energy migrates from the Ce3+ ion over the Gd3+ sublattice to the Tb3+ traps. Energy transfer probabilities for this process are derived and compared with the probabilities derived for the system , which leads to some recommendations for the use of the Ce3+ ion as a sensitizer of the Gd3+ ion.
Method of purification of thiol proteinase inhibitors from human urine. (1991)

Urinary thiol proteinase inhibitors (UTPI) had been isolated from their complex with papain. Almost 90% of these inhibitors, previously inactivated by native or immobilized papain, were recovered after heating the complex to 80 degrees C at pH 2.0 for 20 min. Two protein inhibitors with molecular weights of 76,000 (UTPI-76) and about 45,000 (UTPI-45) were isolated from urine of patients with malignant colorectal tumor. UTPI-fraction consisted of about 40% of UTPI-76 (probably light form of kininogen) and of 60% of UTPI-45 fraction. The inhibitors differed in affinity to Concanavalin A. No electrophoretic mobility changes of both UTPI, before and after isolation by described affinity chromatography were observed.
Interplay between Structure and Dynamics in Chitosan Films Investigated with Solid-State NMR, Dynamic Mechanical Analysis, and X-ray Diffraction (2011)

Modern solid-state NMR techniques, combined with X-ray diffraction, revealed the molecular origin of the difference in mechanical properties of self-associated chitosan films. Films cast from acidic aqueous solutions were compared before and after neutralization, and the role of the counterion (acetate vs Cl(-)) was investigated. There is a competition between local structure and long-range order. Hydrogen bonding gives good mechanical strength to neutralized films, which lack long-range organization. The long-range structure is better defined in films cast from acidic solutions in which strong electrostatic interactions cause rotational distortion around the chitosan chains. Plasticization by acetate counterions enhances long-range molecular organization and film flexibility. In contrast, Cl(-) counterions act as a defect and impair the long-range organization by immobilizing hydration water. Molecular motion and proton exchange are restricted, resulting in brittle films despite the high moisture content.
The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics (2012)

The Rate-Controlled Constrained-Equilibrium (RCCE) method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including nonlinear constraints in non-local equilibrium systems characterized by the existence of a non-increasing Lyapunov functional under the system’s internal dynamics. The generalized formulation of RCCE enables to clarify the essentials of the method and the built-in general feature of thermodynamic consistency in the chemical kinetics context. In this paper, we work out the details of the method in a generalized mathematical-physics framework, but for definiteness we detail its well-known implementation in the traditional chemical kinetics framework. We detail proofs and spell out explicit functional dependences so as to bring out and clarify each underlying assumption of the method. In the standard context of chemical kinetics of ideal gas mixtures, we discuss the relations between the validity of the detailed balance condition off-equilibrium and the thermodynamic consistency of the method. We also discuss two examples of RCCE gas-phase combustion calculations to emphasize the constraint-dependent performance of the RCCE method.
Boosting Molecular Complexity with O2: Iron‐Catalysed Oxygenation of 1‐Arylisochromans through Dehydrogenation, Csp3−O Bond Cleavage and Hydrogenolysis (2019)

Oxidative cleavage of the Csp<sup>3</sup> -O bond in 1-arylisochromans with stoichiometric oxidants, such as CrO<sub>3</sub> /H<sub>2</sub> SO<sub>4</sub> , has been practiced for decades in synthetic chemistry. Herein, we report that a structurally well-defined Fe<sup>II</sup> -pyridyl(bis-imidazolidine) catalyst promotes the aerobic oxygenation of 1-arylisochromans, affording highly selectively 2-(hydroxyethyl)benzophenones, compounds of potential for neuroprotective agents. Key intermediates have been isolated, indicating that the reaction proceeds through dehydrogenative oxygenation of the isochromans at the 1-position, Csp<sup>3</sup> -O bond cleavage at the iron centre and hydrogenolysis of the resulting Fe-O bond with the H<sub>2</sub> generated from the dehydrogenation step. In the absence of H<sub>2</sub> but under iron catalysis, the peroxide intermediate is converted into an unexpected ketal compound, which transfers into a 2-(hydroxyethyl)benzophenone when both O<sub>2</sub> and H<sub>2</sub> are admitted. The unique ability of the iron catalyst for oxygenation and hydrogenation in the same catalytic process under mild conditions allows for the stepwise preparation of a variety of isolable oxygenated products on a preparative scale, circumventing the need for using wasteful and/or toxic oxidants.
Mn(ii) tags for DEER distance measurements in proteins via C–S attachment (2015)

Mn(2+) chelating tags for Mn(2+)-Mn(2+) distance measurements by pulse EPR spectroscopy were developed. They feature a stable C-S conjugation to the protein, high reactivity towards cysteine thiols and short and rigid linkers that can be used in distance measurements with high resolution under reductive conditions. Double electron-electron resonance measurements at 95 GHz on ubiquitin labeled with these tags showed the expected narrow distance distribution.
Effective medium modeling: How to efficiently infer porosity from seismic data? (2015)

Abstract Many geophysical studies in reservoir characterization focus on the variations in the elastic properties of rocks. They commonly involve seismic data, which are processed in terms of seismic attributes. These processed data still have to be related to the physical properties of the rock mass and the fluids saturating the pore space. This need motivated the development of research projects based upon the effective medium theory (EMT). We have used the EMT to infer porosity and also fracture data from seismic impedances in part of the Fort Worth Basin, Texas. The main idea was to take advantage of the available impedances to characterize porosity in terms of equant pores and cracks. We then focused on the volume fraction of spherical pores and crack density. Shortly thereafter, we developed an effective medium (EM) model that provided numerical responses for seismic impedances. These responses were then compared to the impedances obtained from stratigraphic inversion. The overall procedure consisted in adjusting the input parameters of the EMT model, which were the spherical porosity and the crack density, to minimize the impedance mismatch. Our case study involved two limestone formations of the Fort Worth Basin (the Marble Falls and Ellenburger Formations) and one shaly formation (the Barnett Shale). The results are promising — The EMT turns out to be a very useful tool to explain reservoir and geophysical data in terms of microstructural properties, in particular, for fractured reservoirs.
Occlusive peripheral arteriosclerosis: treatment by percutaneous transluminal recanalization--"the Dotter procedure". (1969)

We have performed 17 percutaneous transluminal dilatations in 15 patients with segmental stenoses of the femoral and popliteal arteries. Initial success was achieved in 14 instances. This technique must be considered a useful adjunct in the treatment of peripheral vascular disease in selected patients. Its use along with endarterectomy has not been previously reported and warrants further investigation.
Self‐Assembly in Water with N‐Substituted Imines (2019)

Imine synthesis has enjoyed a long history as the dynamic covalent reaction of choice for the construction of purely covalent molecular architectures. In organic solvents, the formation of imine bonds is reversible but leads to thermodynamically stable products. In the presence of water, however, imine bonds are labile, a fact which limits their utility as mediators of self-assembly in aqueous and biological media. In this Review, we discuss water-compatible dynamic covalent bonds based on N-substituted imine derivatives, namely hydrazones and oximes, for the self-assembly of metal-free organic architectures with well-defined structures. The reasons why hydrazones and oximes are more robust in water than their parent imines are explained. Recent progress in the self-assembly, characterization, and design principles of a variety of complex molecules including macrocycles, cages, catenanes, and knots in aqueous media is highlighted. Emerging applications for these molecules, including guest recognition and separations, are also discussed.
All-fiber common-path optical coherence tomography: sensitivity optimization and system analysis (2005)

A fully integrated all-fiber implementation of common-path interferometer-based optical coherence tomography (OCT) has been successfully demonstrated. Unlike conventional Michelson-based OCT systems, there is no separate reference arm as the reference signal is derived from the probe-end back reflection. This leads to "downlead insensitivity", which makes the device more compatible with existing endoscopic medical instruments. We also theoretically analyze the optimization of system sensitivity in balanced and unbalanced detection. We have conducted experiments to confirm some of our signal-to-noise ratio (SNR) analysis, which are in excellent agreement with the theory. Interestingly, our analysis predicts existence of much higher beat noise in common-path OCT as compared with the conventional OCT. We predict a maximum upper limit of only 6-dB improvement in the SNR when the balanced detection is used, as compared with the unbalanced detection.
Yearly distribution of province wise submitted samples for the laboratory diagnosis of rabies. (2015)

&lt;p&gt;Yearly distribution of province wise submitted samples for the laboratory diagnosis of rabies.&lt;/p&gt;
Arctic Mackenzie Deltachannel planform evolution during 1983–2013 utilisingLandsatdata and hydrological time series (2017)

Abstract Arctic deltas, such as the Mackenzie Delta, are expected to face major climate change and increased human influence in the near future. Deltas are characterised by highly dynamic fluvial processes, and changing climate will cause considerable evolution of the riverine environment. The changes are difficult to predict with existing knowledge and data. This study quantified channel planform change of the Mackenzie Delta (1983–2013), analysing its temporal and spatial patterns. We addressed the main obstacle of research on large remote areas, the lack of data, by developing a unique work flow that utilised Landsat satellite imagery, hydrological time series, remote sensing‐based change analysis, and automatic vectorisation of channels. Our results indicate that the Mackenzie Delta experienced constant evolution but at a highly varying rate over the 30 years. The study demonstrates that the magnitude and duration of flood peaks and the presence of spring ice breakup floods determine the rate of Arctic delta planform change. Changing winter conditions and spring flood magnitudes may therefore affect the stability of Arctic deltas. However, no clear trends towards decreased recurrence or magnitude of spring floods or increased instability of the delta plain have yet been observed in the Mackenzie Delta. The delta plain was most dynamic at the beginning and at the end of the examined period, corresponding to intense flooding, whereas the rates of change were subtle during the low‐flood period 1994–2007. The largest changes have occurred along the wide Middle Channel and in the outermost delta. Relative to their size, however, smaller meandering channels have been highly dynamic. Hotspots of change in the delta plain are located in anastomosing and braiding channel segments and, at the local scale, in point bars and cut‐banks along meandering channels. Our study describes how Landsat satellite data can be utilised for advancing fluvial geomorphological research in remote areas. However, cloudiness in the delta restricts production of dense time series with simultaneous coverage of the whole area and requires manual preprocessing.
Botox Therapy for Ischemic Digits (2009)

Vascular function is abnormal in patients with Raynaud's phenomenon. Although its mechanism is unknown, Botox yielded a distinct improvement in perfusion and reduction in pain in patients failing conservative management. Continued research may lead to more specific and reliable treatment for Raynaud's patients.
Bioavailability study of fosfosal and codeine administered alone or in combination. (1989)

Fosfosal (2-phosphonoxybenzoic acid) is a new salicylic acid derivative which is used for treating inflammatory disease as well as in analgesic therapy. On the other hand, codeine together with acetylsalicylic acid is widely used in patients who require analgesic treatment for mild to moderate pain. The present study was carried out in ten healthy subjects to assess the pharmacokinetic profiles of single oral doses of fosfosal (1,200 mg) and codeine (30 mg) when administered alone or in combination. Blood samples were drawn on each study day and salicylic acid and codeine plasma concentrations were determined by HPLC and enzyme immunoassay methods, respectively. Individual pharmacokinetic parameters were calculated according to standard procedures and the magnitude and rate of bioavailability were tested using a 95% confidence internal approach. Results indicated no statistical differences in any of the kinetic parameters studied except for tmax values which were higher for fosfosal combined with codeine (2 +/- 0.39 h) when compared to fosfosal alone (1.55 +/- 0.35 h). Regarding codeine compared in combination with fosfosal, no significant differences were observed in Cmax and AUC values, while tmax showed a higher value for the combination (1.75 +/- 0.6 vs 0.85 +/- 0.32 h). Although statistical differences in the elimination constant rate and MRT were found between both codeine administrations, these cannot be considered significant in clinical terms. The changes in bioavailability rate observed for both drugs when administered together provide support for the use of this combination in a single formulation.
Ether Lipid Ester Derivatives of Cidofovir Inhibit Polyomavirus BK Replication In Vitro (2006)

Polyomavirus BK is a significant pathogen in transplant recipients, but no effective antiviral therapy is available. We show that cidofovir can inhibit BK virus replication in vitro. Esterification of cidofovir with hexadecyloxypropyl, octadecyloxyethyl, and oleyloxyethyl groups results in up to a 3-log lowering of the 50% effective concentration and an increased selectivity index.
Adaptive History-Based Memory Schedulers for Modern Processors (2006)

Careful memory scheduling can increase memory bandwidth and overall system performance. We present a new memory scheduler that makes decisions based on the history of recently scheduled operations, providing two advantages: it can better reason about the delays associated with complex DRAM structure, and it can adapt to different observed workload
A Meshless Solution of a Small-Strain Plasticity Problem (2022)

When the deformations of a solid body are sufficiently large, parts of the body undergo a permanent deformation commonly refereed to as plastic deformation. Several plasticity models describing such phenomenon have been proposed, e.g. von Mises, Tresca, etc. Traditionally, the finite element method (FEM) is the numerical tool of choice for engineers who are solving such problems. In this work, however, we present the implementation of the von Mises plasticity model with non-linear isotropic hardening in our in-house developed MEDUSA library, utilizing a variant of meshless methods -- namely the radial basis function-generated finite differences (RBF-FD). We define a simple plane stress case, where a 2D block is fixed at one edge, and a tensile force, which causes the block to deform, is applied to it at the opposite edge. We show that results are in good agreement with the numerical solution obtained by Abaqus FEA, a commercial FEM solver.
Ultrahigh-resolution optical coherence tomography with a diode-pumped broadband Cr3+:LiCAF laser (2004)

Ultrahigh resolution optical coherence tomography (OCT) is performed with a broadband, Kerr-lens mode-locked, diode-pumped Cr(3+):LiCAF laser. The laser source has a bandwidth of 89 nm with an output power of 37 mW. OCT imaging is demonstrated with 4.5 microm axial resolution in air or 3.4 microm in tissue. In vivo imaging of the human retina is demonstrated. Ultrahigh resolution OCT images from the Cr(3+):LiCAF laser source were compared with standard resolution images from a commercial OCT system and ultrahigh resolution OCT images from a Kerr-lens modelocked Ti:sapphire laser light source. The Cr(3+):LiCAF source is pumped only by two single-emitter laser diodes, which makes this laser a viable, low-cost alternative to mode-locked Ti:sapphire lasers that are currently used for ultrahigh resolution OCT imaging.
Copolymerization of a polyhydrocarbon macromonomer with methyl acrylate and acrylonitrile in the presence of a lewis acid (1994)

Abstract The free radical copolymerization of a vinyl‐terminated hydrocarbon macromonomer, namely poly‐l‐butene with molecular weight 1,000, with methyl acrylate (MA) led to copolymers with broad molecular weight distributions, and even bimodal character. In the presence of alkylaluminum chloride Lewis acids, higher incorporation of MA was obtained. The polymer MW and mole% MA in the copolymer increase with their decreasing Lewis acid strength. The best result was obtained in the presence of 25 mole% Et 2 AlCl versus MA at 60°C which led to 82% of the polyhydrocarbon chains being derivatized and unimodal MW distribution. For the copolymerization of the polyhydrocarbon macromonomer and AN, the best results were obtained without Lewis acid in toluene using a free radical initiator at 125°C. The model compound 2,2,4‐trimethyl‐1‐pentene copolymerizes with both MA and AN in standard free radical conditions and the copolymerization parameters were determined.
Analysis of Direct-Conversion IQ Transmitters With 25% Duty-Cycle Passive Mixers (2011)

The performance of direct-conversion IQ transmitters with 25% duty-cycle passive mixers is analyzed. The up-conversion transfer function is calculated and it is shown that due to lack of reverse isolation of the passive mixer, the high- and low-side conversion gains can be different. The contribution of thermal noise from mixer switches to the total output noise of the transmitter is formulated. It is also revealed that the up-conversion of the baseband signal to higher order harmonics places more stringent linearity requirements on the post-mixer driver.