gebhart/patrepeval huggingface dataset:
Predicting Ecotoxicology of Organophosphorous Insecticides: Successful Parameter Selection with the Genetic Function Algorithm (1999)

QSARs have been developed for 20 organophosphates, using good experimental data in the form of LC50 toxicity values towards guppy from previously published work. A large number of steric, physical and electronic descriptors have been calculated. After the removal of descriptors that were highly cross-correlated or correlated poorly with activity, the genetic algorithm was employed to select the optimum descriptors for use in multivariate regression. Best equation r2 and r2cv values were 0.943 and 0.905 respectively. Molecular field Analysis was also used in conjunction with the Genetic Function Approximation (GFA) algorithm to obtain predictive equations, r2 and r2cv values were 0.939 and 0.896 respectively. However, when the data were randomised, results proved to be as good, (and in one case better) than using the correct experimental values. For equations subsequently derived using the Genetic Partial Least Squares (G/PLS) technique (best r2 and r2cv values being 0.943, 0.905 respectively), randomisation gave worse answers than using the correct experimental values. This work demonstrates the danger of using the powerful GFA technique to select from a large number of parameters, but establishes that the G/PLS method is sufficiently robust to provide reliable results.
Reliable Geofence Activation with Sparse and Sporadic Location Measurements: Extended Version (2022)

Geofences are a fundamental tool of location-based services. A geofence is usually activated by detecting a location measurement inside the geofence region. However, location measurements such as GPS often appear sporadically on smartphones, partly due to weak signal, or privacy preservation, because users may restrict location sensing, or energy conservation, because sensing locations can consume a significant amount of energy. These unpredictable, and sometimes long, gaps between measurements mean that entry into a geofence can go completely undetected. In this paper we argue that short term location prediction can help alleviate this problem by computing the probability of entering a geofence in the future. Complicating this prediction approach is the fact that another location measurement could appear at any time, making the prediction redundant and wasteful. Therefore, we develop a framework that accounts for uncertain location predictions and the possibility of new measurements to trigger geofence activations. Our framework optimizes over the benefits and costs of correct and incorrect geofence activations, leading to an algorithm that reacts intelligently to the uncertainties of future movements and measurements.
The electro-optic effect in P(VF2) and P(VF2/VF3) copolymer (2001)

Abstract The effective electro-optic coefficients of poled films of P(VF2) and P(VF2/VF3) have been measured using a Michelson interferometer. The interferometer allows direct measurement of electrically-induced changes in the optical path length in the films, for light of differing polarisations. In the measurements reported here, the films are unconstrained. The changes in optical path length thus arise not only from the primary electro-optic effect, but also contain photo-elastic and piezoelectric contributions. Keywords: electro-opticferroelectricpolymers
Wafer fused optoelectronics for switching (2002)

Summary form only given. Major requirements for photonic switching elements are scalability, low loss and low crosstalk. In high speed packet switched networks, there is a need for large size waveguide switches that incorporate fiber loop memories and integrated semiconductor optical amplifiers. Wafer fusion techniques can be used to combine planar waveguides fabricated on two different substrates into a 3D structure in which there is vertical coupling between arrays of single mode waveguides through the fused regions. The fused vertically coupled (FVC) waveguide structure, was analyzed by the 3D finite difference beam propagation method (BPM). A single-mode ridge-loaded waveguide structure based on InP substrate, with 0.5 /spl mu/m InGaAsP was used.
Fast Concatenative Speech Synthesis Using Pre-Fused Speech Units Based on the Plural Unit Selection and Fusion Method (2007)

We have previously developed a concatenative speech synthesizer based on the plural speech unit selection and fusion method that can synthesize stable and human-like speech. In this method, plural speech units for each speech segment are selected using a cost function and fused by averaging pitch-cycle waveforms. This method has a large computational cost, but some platforms require a speech synthesis system that can work within limited hardware resources. In this paper, we propose an offline unit fusion method that reduces the computational cost. In the proposed method, speech units are fused in advance to make a pre-fused speech unit database. At synthesis time, a speech unit for each segment is selected from the pre-fused speech unit database and the speech waveform is synthesized by applying prosodic modification and concatenation without the computationally expensive unit fusion process. We compared several algorithms for constructing the pre-fused speech unit database. From the subjective and objective evaluations, the effectiveness of the proposed method is confirmed by the results that the quality of synthetic speech of the offline unit fusion method with 100 MB database is close to that of the online unit fusion method with 93 MB JP database and is slightly lower to that of the 390 MB US database, while the computational time is reduced by 80%. We also show that the frequency-weighted VQ-based method is effective for construction of the pre-fused speech unit database.
Photoemission Electron Microscopy Experiments with the Balzers Ke3 Metioscope (1990)

In the Balzers KE3 ’Metioscope’, photoelectron emission is stimulated by the action of four mercury arc U.V. lamps, the light from which is reflected onto the specimen surface from the anode plate. The specimen may be heated in a wire-wound furnace enclosure or by an electron beam. In both cases temperatures of the order of 1200°C are attainable. Surface oxidation and contamination may be removed in situ by the use of an argon ion and/or neutral particle gun. The emitted electrons are imaged using electromagnetic lenses onto a fluorescent screen which is linked to a TV camera and recorder. Hence dynamic changes occurring at high temperatures or during heating or cooling may be recorded continuously. This paper will first briefly review recent published and unpublished work carried out using the Metioscope, which illustrate both the capabilities and limitations of the technique. Secondly, the results of a series of on-going experiments on ferrite nucleation and growth from austenite grain boundaries in low carbon alloy steels will be described and illustrated with video-recordings. The steels were austenitised at 975-950°C and either (a) rapidly cooled at 775-725°C and transformed isothermally or (b) continuously cooled at rates in the range 0.5-0.05°C/sec.
Inertial Focusing of Particles and Cells in the Microfluidic Labyrinth Device: Role of Sharp Turns (2022)

Abstract Inertial, size-based focusing was investigated in the microfluidic labyrinth device consisting of several U-shaped turns along with circular loops. Turns are associated with tight curvature, and therefore induce strong Dean forces for separating particles, however, systematic studies exploring this possibility do not exist. We characterized the focusing dynamics of different-sized rigid particles, cancer cells and white blood cells over a range of fluid Reynolds numbers Re f . Streak widths of the focused particle streams at all the turns showed intermittent fluctuations which were substantial for smaller particles and at higher Re f . In contrast, cell streaks were less prone to fluctuations. Computational fluid dynamics simulations revealed the existence of strong turn-induced Dean vortices which help explain the intermittent fluctuations seen in particle focusing. Next, we developed a measure of pairwise separability to evaluate the quality of separation between focused streams of two different particle sizes. Using this, we assessed the impact of a single sharp turn on separation. In general, the separability was found to vary significantly as particles traversed the tight-curvature U-turn. Comparing the separability at the entry and exit sections, we found that turns either improved or reduced separation between different-sized particles depending on Re f . Finally, we evaluated the separability at the downstream expansion section to quantify the performance of the labyrinth device in terms of achieving size-based enrichment of particles and cells. Overall, our results show that turns are better for cell focusing and separation given that they are more immune to curvature-driven fluctuations in comparison to rigid particles.
Comparative SEM and TEM Examination of the Ultrastructure of the Resin-Dentin Interdiffusion Zone (1993)

The resin-dentin interdiffusion zone produced by a dentin-adhesive system that removes the smear layer and concurrently decalcifies superficial dentin was morphologically examined by both scanning and transmission electron microscopy. Cross-sectioned resin-bonded dentin discs were etched with an argon-ion beam to make the resin-dentin interface observable by SEM. For the TEM examination, the sections were partly decalcified by an aqueous EDTA solution to facilitate ultramicrotomy and to disclose the ultrastructure of the interdiffusion zone. Both SEM and TEM confirmed the presence of the resin-dentin interdiffusion zone as the junction between the deep unaltered dentin structure and the restorative resin. Within the interdiffusion zone, three sublayers with characteristic ultrastructure and staining were identified by TEM. An upper diffuse black layer contained few structural features. Underneath, partially-altered collagen fibrils were closely packed, mostly running parallel with the interface and perpendicular to the dentinal tubules. Their outline was electron-dense, forming tunnel-like structures. At the base of the upper layer, several stained projections were found to bulge out into the underlying collagen network and appeared to be confined by obstructive, parallel-running collagen fibrils. Finally, the third dense layer, containing hydroxyapatite crystals, demarcated the superficially demineralized dentin layer from the deeper unaltered dentin. Resin diffusion into the decalcified dentin surface layer was evident, but diminished with depth, presumably reducing deeper resin impregnation into the interfibrillar spaces. The citric acid dentin-pretreatment probably caused denaturation of the superficial collagen fibrils. Its decalcifying effect gradually weakened with depth, leaving behind hydroxyapatite crystals at the base of the interdiffusion zone.(ABSTRACT TRUNCATED AT 250 WORDS)
Protocols, performance, and controls for voice over wide area packet networks (2002)

We propose and compare alternative protocols, architectures, and controls for providing long distance (LD) voice services over asynchronous transfer mode (ATM) and Internet protocol (IP)-based networks. ATM standards and products are already mature enough for high-quality voice transport over a multiservice network infrastructure. The main design choices we must make are related to voice processing at the synchronous transfer mode (STM)-ATM interface, signaling protocols, and appropriate use of permanent virtual circuits (PVCs) and switched virtual circuits (SVCs). We compare the various alternatives along these dimensions. High-quality LD voice service over IP backbones is still a challenge. We propose different alternatives for providing such a service over a managed, multiservice IP network. First we consider a simple architecture involving line-speed forwarding, priority scheduling for voice over data, connection admission controls (at signaling gateways), and virtual provisioning servers. We then enhance the simple architecture to add hierarchical bandwidth guarantees, scheduling, and buffer management made available by emerging Layer 3/Layer 4 IP switches. We show that the basic and enhanced architectures allow integration of LD voice service with the best-effort service and multiservice virtual private networks (VPNs), respectively.
Conversion of S-lignin compounds to useful intermediates (2023)

The present disclosure relates to a genetically modified microbial cell that includes a genetic modification resulting in the expression of a vanillate demethylase, where the microbial cell is capable of metabolizing at least one S-lignin decomposition molecule including at least one of syringate and/or 3-O-methyl gallate, and the genetically modified microbial cell is capable of producing gallate. In some embodiments of the present disclosure, the vanillate demethylase may include VanAB.
Oligomerization of Indole Derivatives with Incorporation of Thiols (2008)

Two molecules of indole derivative, e.g. indole-5-carboxylic acid, reacted with one molecule of thiol, e.g. 1,2-ethanedithiol, in the presence of trifluoroacetic acid to yield adducts such as 3-[2-(2-amino-5-carboxyphenyl)-1-(2-mercaptoethylthio)ethyl]-1Hindole-5-carboxylic acid. Parallel formation of dimers, such as 2,3-dihydro-1H,1'H-2,3'-biindole-5,5'-dicarboxylic acid and trimers, such as 3,3'-[2-(2-amino-5-carboxyphenyl) ethane-1,1-diyl]bis(1H-indole-5-carboxylic acid) of the indole derivatives was also observed. Reaction of a mixture of indole and indole-5-carboxylic acid with 2-phenylethanethiol proceeded in a regioselective way, affording 3-[2-(2-aminophenyl)-1-(phenethylthio)ethyl]-1H-indole-5-carboxylic acid. An additional product of this reaction was 3-[2-(2-aminophenyl)-1-(phenethylthio)ethyl]-2,3-dihydro-1H,1'H-2,3'-biindole-5'-carboxylic acid, which upon standing in DMSO-d6 solution gave 3-[2-(2-aminophenyl)-1-(phenethylthio)ethyl]-1H,1'H-2,3'-biindole-5'-carboxylic acid. Structures of all compounds were elucidated by NMR, and a mechanism for their formation was suggested.
Quantitative Preclinical Imaging of TSPO Expression in Glioma Using N,N-Diethyl-2-(2-(4-(2-18F-Fluoroethoxy)Phenyl)-5,7-Dimethylpyrazolo[1,5-a]Pyrimidin-3-yl)Acetamide (2012)

These studies illustrate the feasibility of using (18)F-DPA-714 for visualization of TSPO-expressing brain tumors. Importantly, (18)F-DPA-714 appears suitable for quantitative assay of tumor TSPO levels in vivo. Given the relationship between elevated TSPO levels and poor outcome in oncology, these studies suggest the potential of (18)F-DPA-714 PET to serve as a novel predictive cancer imaging modality.
Constructing a Visible-Active CoFe2O4@Bi2O3/NiO Nanoheterojunction as Magnetically Recoverable Photocatalyst with Boosted Ofloxacin Degradation Efficiency (2022)

Constructing visible-light-active Z-scheme heterojunctions has proven fruitful in enhancing the photocatalytic activity of photocatalysts for superior water clean-up. Herein, we report the fabrication of a CoFe<sub>2</sub>O<sub>4</sub>@Bi<sub>2</sub>O<sub>3</sub>/NiO (CBN) Z-scheme nanoheterojunction. The obtained CBN heterojunction was used for visible-light-assisted degradation of ofloxacin (OFL) in water. The OFL degradation efficiency achieved by the CBN heterojunction was 95.2% in 90 min with a rate constant of <i>k<sub>app</sub></i> = 0.03316 min<sup>-1</sup>, which was about eight times that of NiO and thirty times that of CoFe<sub>2</sub>O<sub>4</sub>. The photocatalytic activity of a Bi<sub>2</sub>O<sub>3</sub>/NiO Z-scheme heterojunction was greatly enhanced by the visible activity and redox mediator effect of the cobalt ferrite co-catalyst. Higher charge-carrier separation, more visible-light capture, and the Z-scheme mechanism in the Z-scheme system were the important reasons for the high performance of CBN. The scavenging experiments suggested <sup>●</sup>O<sub>2</sub><sup>-</sup> as an active species for superior OFL degradation. The possible OFL degradation pathway was predicted based on LC-MS findings of degradation intermediate products. The magnetic nature of the CBN helped in the recovery of the catalyst after reuse for six cycles. This work provides new insights into designing oxide-based heterojunctions with high visible-light activity, magnetic character, and high redox capabilities for potential practical applications in environmental treatment.
Viral RNA testing and automation on the bead-based CBNE detection microsystem. (2008)

We developed prototype chemistry for nucleic acid hybridization on our bead-based diagnostics platform and we established an automatable bead handling protocol capable of 50 part-per-billion (ppb) sensitivity. We are working towards a platform capable of parallel, rapid (10 minute), raw sample testing for orthogonal (in this case nucleic acid and immunoassays) identification of biological (and other) threats in a single sensor microsystem. In this LDRD we developed the nucleic acid chemistry required for nucleic acid hybridization. Our goal is to place a non-cell associated RNA virus (Bovine Viral Diarrhea, BVD) on the beads for raw sample testing. This key pre-requisite to showing orthogonality (nucleic acid measurements can be performed in parallel with immunoassay measurements). Orthogonal detection dramatically reduces false positives. We chose BVD because our collaborators (UC-Davis) can supply samples from persistently infected animals; and because proof-of-concept field testing can be performed with modification of the current technology platform at the UC Davis research station. Since BVD is a cattle-prone disease this research dovetails with earlier immunoassay work on Botulinum toxin simulant testing in raw milk samples. Demonstration of BVD RNA detection expands the repertoire of biological macromolecules that can be adapted to our bead-based detection. The resources of this late start LDRD were adequate to partially demonstrate the conjugation of the beads to the nucleic acids. It was never expected to be adequate for a full live virus test but to motivate that additional investment. In addition, we were able to reduce the LOD (Limit of Detection) for the botulinum toxin stimulant to 50 ppb from the earlier LOD of 1 ppm. A low LOD combined with orthogonal detection provides both low false negatives and low false positives. The logical follow-on steps to this LDRD research are to perform live virus identification as well as concurrent nucleic acid and immunoassay detection.
Full-Field Simulations of Particulate Thermal Interface Materials: Separating the Effects of Random Distribution from Interfacial Resistance (2006)

The effective behavior of particulate thermal interface materials depend, in addition to particle/matrix conductivities and volume loading of the particles, on the randomness of distribution, on the randomness of the size as well as on the interfacial thermal resistance between the particles and matrix. However, the relative contributions of these effects have not been identified in the literature with sufficient clarity owing to a lack of realistic simulations of these systems. In this paper we present a computationally efficient analysis procedure to simulate realistic three-dimensional microstructures of thermal interface materials. The computational procedure is based on constructing complex behavioral fields through Boolean operations (compositions) on primitive fields. It is demonstrated that the Boolean operations and an associated meshless implementation efficiently model topological changes caused by the modification/rearrangement of the second phases in the heterogeneous material microstructure. The developed method was applied to evaluate the effective thermal conductivity of the thermal interface material. Thirty three-dimensional simulations of random arrangements of the heterogeneous microstructure at a fixed 58% volume fraction were carried out. The microstructures were systematically characterized using void nearest surface exclusion probability functions. The results of the simulation range within 10% of the fifteen experimentally measured values of an identically constituted system. We demonstrate that in the absence of simulations of realistic microstructures, non-physical thermal interface resistance values may have to be assumed to describe the effect of random distributions of particles
Fault-Tolerant Perception for Automated Driving A Lightweight Monitoring Approach (2021)

While the most visible part of the safety verification process of automated vehicles concerns the planning and control system, it is often overlooked that safety of the latter crucially depends on the fault-tolerance of the preceding environment perception. Modern perception systems feature complex and often machine-learning-based components with various failure modes that can jeopardize the overall safety. At the same time, a verification by for example redundant execution is not always feasible due to resource constraints. In this paper, we address the need for feasible and efficient perception monitors and propose a lightweight approach that helps to protect the integrity of the perception system while keeping the additional compute overhead minimal. In contrast to existing solutions, the monitor is realized by a well-balanced combination of sensor checks -- here using LiDAR information -- and plausibility checks on the object motion history. It is designed to detect relevant errors in the distance and velocity of objects in the environment of the automated vehicle. In conjunction with an appropriate planning system, such a monitor can help to make safe automated driving feasible.
Human-Aware Object Placement for Visual Environment Reconstruction (2022)

Humans are in constant contact with the world as they move through it and interact with it. This contact is a vital source of information for understanding 3D humans, 3D scenes, and the interactions between them. In fact, we demonstrate that these human-scene interactions (HSIs) can be leveraged to improve the 3D reconstruction of a scene from a monocular RGB video. Our key idea is that, as a person moves through a scene and interacts with it, we accumulate HSIs across multiple input images, and optimize the 3D scene to reconstruct a consistent, physically plausible and functional 3D scene layout. Our optimization-based approach exploits three types of HSI constraints: (1) humans that move in a scene are occluded or occlude objects, thus, defining the depth ordering of the objects, (2) humans move through free space and do not interpenetrate objects, (3) when humans and objects are in contact, the contact surfaces occupy the same place in space. Using these constraints in an optimization formulation across all observations, we significantly improve the 3D scene layout reconstruction. Furthermore, we show that our scene reconstruction can be used to refine the initial 3D human pose and shape (HPS) estimation. We evaluate the 3D scene layout reconstruction and HPS estimation qualitatively and quantitatively using the PROX and PiGraphs datasets. The code and data are available for research purposes at https://mover.is.tue.mpg.de/.