gebhart/patrepeval huggingface dataset:
Numerical Evaluation and Optimization of Depth-oriented Temperature Measurement for the Investigation of Thermal Influences on Groundwater Resources (2015)

High-resolution depth-oriented temperature measurements have been introduced to investigate a groundwater body in the urban area of Basel. In total, four devices were installed with up to 16 sensors - located in both the saturated and unsaturated zone. Measurements were performed over a period of 4 years and provide sufficient data to set up and calibrate high-resolution numerical local heat-transport models. Calibration was performed for the saturated and unsaturated zone, respectively. Model results show that although depth-oriented measurements provide valuable insights into local thermal processes, the identification of governing and impacting factors strongly depends on appropriate positioning of the measurement device.
Deformation mechanisms of sub-micrometer thermoplastic vulcanizates obtained by reaction-induced phase separation of miscible poly(ε-caprolactone)/dimethacrylate systems (2017)

The micromechanical deformation mechanisms of sub-μm thermoplastic vulcanizates (TPVs) based on poly(ε-caprolactone) (PCL) and cross-linked methacrylate rubbers were studied by time-resolved small-angle X-ray scattering (SAXS) and wide-angle X-ray diffraction (WAXD) measurements in order to better understand the underlying deformation mechanisms responsible for the high elongation at break and good elastic recovery of sub-μm TPVs. It is demonstrated that, in contrast to neat PCL, the interlamellar void formation in the PCL matrix and subsequent coalescence of voids is suppressed by the presence of the rubber (nano)particles in these TPVs. The deformation of the TPVs under tensile conditions is dominated by yielding of the PCL matrix, which is initially localized at the equatorial regions of the rubber particles and progresses towards the polar regions at higher strains. Re-ordering of the crystal structures is both time and stress dependent, and stress relaxation of the TPV under tension is primarily governed by the break-up of the crystal lamellae at the equatorial regions of the rubber particles. This study demonstrates that the rubber particle size as well as chemical grafting of thermoplastic polymer chains onto the surface of cross-linked rubber particles are important parameters to control the mechanical deformation behavior of TPVs.
C–F and C–C bond activation by transition metals in low energy atomic ion/surface collisions (1999)

The transition metal ions, Cr+·, Mo+·, W+· and Re+, abstract one or more fluorine atoms or CmFn groups (m = 1,2; n = 1–5) in collisions with fluorocarbon self-assembled monolayers (F-SAMs). The number of atoms abstracted increases with collision energy, and with W+· and Re+ it is possible to maximize a specific scattered product ion by selecting the appropriate collision energy. The collision energy dependence suggests that dissociation of the products of multiple abstractions is not an important source of any of the observed ion/surface reaction products. The ions W+· and Re+ activate and insert into C–C as well as C–F bonds. In Re+ collisions, products of C–C bond activation are of comparable intensity to the C–F activation products. The reactivity of the ions towards fluorine abstraction is observed to be Cr+· < Mo+· < W+· < Re+. The data are interpreted in terms of reaction at the surface and are rationalized by considering three factors (i) the electronic structures of the ions, (ii) the thermochemistry of fluorine abstraction, and (iii) the degree of orbital overlap of the metal ion and the F-SAM substrate. Copyright © 1999 John Wiley & Sons, Ltd.
RFID chipless tag based on multiple phase shifters (2011)

The RFID chipless tag presented in this article uses a new technique for data encoding. It is based on changing the phase of multiple resonators that behave as phase shifter. This technique brings a much higher reliability than for the actual absence/presence of resonance encoding way. The design proposed is based on 5 reflective strip resonators having resonant frequency starting from 2.5 GHz to 6.5 GHz. A capacity of 10 bits is reached within a reduced size of 20 × 40 mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> . Tag made on this principle is potentially low cost because only one conductive layer is needed for its fabrication.
Capital Projects – Internal Marketing during Budget Planning Process (2008)

This paper describes how all organizations have their internal annual budget planning process. They go through the call for capital projects, different department managers submit their requests, projects are prioritized and few projects are funded based on the completeness of the package, past performance history and available funds for the fiscal year, and the rest of the project requests are returned to the submitter rejected. In this paper the author will provide some specific details, if included in your capital project request package, that will put the project on a higher priority level and will increase the project’s chances for being funding. It is assumed that there is reasonable amount of money available after funding the past continued projects. This paper will discuss how one markets the services of a department to the organization. Internal requests should be treated with equal seriousness and justification as a typical request for proposal in the outside world.
Morphing parametric modeling and design optimization of spoke and V-type permanent magnet machines by combined design of experiments and differential evolution algorithms (2013)

In this paper, two novel morphing parametric models for flat-to-V-type (FV) and for spoke-to-V-type (SV) Permanent Magnet (PM) synchronous machine configurations are introduced. A combined multi-objective design optimization method employing Design of Experiments (DOE) and Differential Evolution (DE) algorithms was developed and implemented. A Central Composite Design (CCD) approach combined with the Response Surface Method (RSM) was used to perform a sensitivity study from which the significant independent design variables were selected for the DE design optimization procedure. A computationally efficient-Finite Element Analysis (CE-FEA) technique was employed to evaluate the electromagnetic performance of the candidate designs. Three optimization objectives are concurrently considered for minimum material cost, power losses and torque ripple, respectively. The DE optimization results enable the systematic comparison of three interior permanent magnet (IPM) motor topologies: flat-type, generic V-shape and spoke, respectively. A discussion on the relative merits of each topology is included.
Stereospecific Reduction of Phosphine Oxides to Phosphines by the Use of a Methylation Reagent and Lithium Aluminum Hydride (2000)

[figure: see text] Various phosphine oxides are efficiently reduced by the use of a methylation reagent and lithium aluminum hydride. Optically active P-chirogenic phosphine oxides are also reduced with inversion of configuration at phosphorus atom by treatment with methyl triflate, followed by reaction with LiAlH4.
Utilizing photosensitive polymers to evaluate UV radiation exposures in different plasma chamber configurations (2020)

Monitoring vacuum ultraviolet (UV/VUV) emission in plasma systems is challenging as it requires specialized diagnostic systems or sensors to be compatible with these devices. This study addresses different reactor configurations and plasma chemistries with various levels of UV emission and their effects on a known set of polymers. First, the effect of He plasma treatment of organic underlayer (NFC-1400) and e-beam resist (hydrogen silsesquioxane) on line-space patterning of polysilicon at sub-100 nm pitch was investigated. By applying He plasma exposure, both before and after patterning of the optical underlayer, a significant improvement in line edge roughness (LER) from 2.5 to 1.4 nm was observed. To understand the plasma treatment mechanisms, polymers were exposed to synchrotron VUV light at 62 nm (or 20.0 eV), which coincides with the He VUV emission range (50–60 nm), followed by etching of poly-Si, and were found to have similar LER results. The refraction index measurements for both the optical underlayer and the e-beam resist revealed the key finding that the polymers absorption maxima corresponded exactly to the wavelength of ∼60 nm. Second, the impact of inductively coupled and microwave plasma configurations on etch rates and chemical properties of photoresists were investigated. Identifying specific photon-induced modifications on polymers can help detect UV/VUV emission in the plasma and decouple ion and photon effects on materials. Poly(methyl methacrylate) and poly(4-vinylphenol)-based photoresists were exposed to argon (Ar) and nitrogen (N2) plasmas. Surface and elemental analyses confirmed that plasma effects on chemical modifications, surface roughness, and etch rate were significantly higher for poly(methyl methacrylate) compared to poly(4-vinylphenol)-based photoresists. Detailed elemental and molecular structure analyses of these polymers showed relatively higher damage to both species caused from the inductively coupled plasma, which is ultimately correlated with a higher UV/VUV emission.
Diels—Alder Reactions of 2‐Vinylindoles with Open‐Chain C=C Dienophiles. (2007)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Using the Heat-Shock Response To Discover Anticancer Compounds that Target Protein Homeostasis (2011)

Unlike normal tissues, cancers experience profound alterations in protein homeostasis. Powerful innate adaptive mechanisms, especially the transcriptional response regulated by Heat Shock Factor 1 (HSF1), are activated in cancers to enable survival under these stressful conditions. Natural products that further tax these stress responses can overwhelm the ability to cope and could provide leads for the development of new, broadly effective anticancer drugs. To identify compounds that drive the HSF1-dependent stress response, we evaluated over 80,000 natural and synthetic compounds as well as partially purified natural product extracts using a reporter cell line optimized for high-throughput screening. Surprisingly, many of the strongly active compounds identified were natural products representing five diverse chemical classes (limonoids, curvularins, withanolides, celastraloids, and colletofragarones). All of these compounds share the same chemical motif, an α,β-unsaturated carbonyl functionality, with strong potential for thiol-reactivity. Despite the lack of a priori mechanistic requirements in our primary phenotypic screen, this motif was found to be necessary albeit not sufficient, for both heat-shock activation and inhibition of glioma tumor cell growth. Within the withanolide class, a promising therapeutic index for the compound withaferin A was demonstrated in vivo using a stringent orthotopic human glioma xenograft model in mice. Our findings reveal that diverse organisms elaborate structurally complex thiol-reactive metabolites that act on the stress responses of heterologous organisms including humans. From a chemical biology perspective, they define a robust approach for discovering candidate compounds that target the malignant phenotype by disrupting protein homeostasis.
Transcriptome profiles in sarcoidosis and their potential role in disease prediction (2017)

The steps toward transcriptomics of sarcoidosis in precision medicine highlight the potentials of this approach. Large prospective follow-up studies are required to identify signatures predictive of disease progression and outcome.
Estudo biológico e desenvolvimento de formulação do sal tetrapalmitato de clorexidina para uso em doenças bucais (2009)

A clorexidina é um dos antimicrobianos mais efetivos e amplamente empregados na medicina e odontologia. Apesar de sua excelente atividade, seu uso é limitado em cerca de 7 dias devido ao desenvolvimento de importantes efeitos adversos, como o aparecimento de manchas sobre o esmalte, língua e restaurações dentárias; alteração no paladar devido à interação com as papilas gustativas, e um gosto fortemente amargo, o qual é muito difícil de ser mascarado em preparações farmacêuticas. Este trabalho apresenta um estudo de um novo sal hidrofóbico de clorexidina, o tetrapalmitato, que diferentemente dos outros sais existentes, apresenta-se como um íon tetracátion, e é praticamente insolúvel em soluções aquosas. Assim, sua atividade biológica frente Streptococcus mutans, a principal bactéria envolvida na cárie dental, foi testada in vitro, assim como a propriedade de formação de manchas nos dentes e alteração no reconhecimento de alguns gostos básicos. Finalmente, através de estudo cinético salivar, verificou-se a possibilidade de preparar-se uma formulação apropriada para um enxaguatório bucal. Os resultados apontam para um importante benefício sobre as características indesejáveis da clorexidina. Assim, o sal tetrapalmitato foi capaz de diminuir o efeito de aparecimento de manchas, e diminuir o sabor amargo e a interação da clorexidina com as papilas gustativas. No entanto, a formação do sal tetracátion diminuiu a propriedade de substantividade da clorexidina, a qual pode ser compensada pela elaboração de uma suspensão aquosa com uma dosagem mais elevada do sal. Espera-se com estes resultados obter uma formulação para higiene bucal que mantenha a excelente atividade cariostática da clorexidina, permitindo a ampliação do seu período de uso assim como a adesão dos pacientes ao tratamento.
Systematic study of shockley-read-hall and radiative recombination in GaN on Al2O3, freestanding GaN, and GaN on Si (2020)

Abstract Here we study and correlate structural, electrical, and optical properties of three GaN samples: GaN grown by metalorganic chemical vapor deposition on sapphire (GaN/Al 2 O 3 ), freestanding GaN crystals grown by the high nitrogen pressure solution method (HNPS GaN), and GaN grown by hydride vapor phase epitaxy on silicon (GaN/Si). Defect and impurity densities and carrier concentrations are quantified by x-ray diffraction, secondary mass ion spectroscopy, and Hall effect studies, respectively. Power-dependent photoluminescence measurements reveal GaN near-band-edge emissions from all samples having mixtures of free exciton and band-to-band transitions. Only the defect luminescence in the GaN/Si sample remains unsaturated, in contrast to those from the HNPS GaN and GaN/Al 2 O 3 samples. Carrier lifetimes, extracted from time-resolved photoluminescence measurements, and internal quantum efficiencies, extracted from temperature-dependent photoluminescence measurements, are used to extract radiative and nonradiative lifetimes. Shockley–Read–Hall (A) and radiative recombination coefficients (B) are then calculated accordingly. Overall, the A coefficient is observed to be highly sensitive to the point defect density rather than dislocation density, as evidenced by three orders of magnitude reduction in threading dislocation density reducing the A coefficient by one order of magnitude only. The B coefficient, while comparable in the higher quality and lowly doped GaN/Al 2 O 3 and HNPS GaN samples, was severely degraded in the GaN/Si sample due to high threading dislocation density and doping concentration.
The use of multi‐frequency acquisition to significantly improve the quality of fibre‐optic‐distributed vibration sensing (2017)

ABSTRACT Unlike conventional sensors that measure the passage of seismic waves at a single position, distributed vibration sensing systems, also known as distributed acoustic sensing systems, detect the passage of seismic waves by averaging a measurement of strain over a section of fibre‐optic cable. Distributed vibration sensing systems work by transmitting pulses of light down the fibre and measuring the phase of the Rayleigh backscatter. At random positions along the fibre, however, fading occurs; this is where the amplitude of the backscattered signal is very small due to cancellation of the scattered electric fields, resulting in anomalously noisy traces in a common source gather. This paper addresses the problem of fading in a particular form of distributed vibration sensors: a new optical arrangement of the instrumentation is described that allows the measurement to be carried out quasi‐simultaneously at multiple optical interrogation frequencies. The interrogation frequencies are chosen to be sufficiently different that their fading properties are distinct and the diversity thus obtained is used to aggregate the data obtained to substantially reduce the noise caused by fading. As well as reducing the effects of fading, the aggregation of the independent results can also help to reduce the overall noise of the measurement and improve the linearity of the distributed vibration sensing system.
"Cluster-Bethe-lattice" method: Electronic density of states of amorphous and crystalline homopolar solids (1974)

A new method is developed to study the electronic density of states of infinite networks of atoms. The method involves treating part of the system exactly as a cluster and simulating the effects of the rest of the environment by connecting a Bethe lattice (Cayley tree) to the surface of the cluster. Calculations show that the local ringlike topologies of each atom are of primary importance in determining structure in the electronic density of states. The densities of states of the diamond, BC-8, and ST-12 structures are studied in detail using this method. These calculations are in excellent agreement with the exact results. Because of this, the method is used to obtain the density of states of the Polk and Connell random-network models. These models give the same radial distribution functions but exhibit striking differences in their densities of states which are interpreted in terms of topology.
Bone Graft for Tibial Defects in Total Knee Arthroplasty (1986)

Twenty-four knees with bone grafts for tibial defects at the time of either primary or revision total knee arthroplasty were followed for three to six years. With 22 of 24 bone grafts, union and revascularization were seen and no clinical collapse was present. In two, nonunion occurred, accompanied by collapse in one. Failure was attributed to varus alignment of the leg in one (a medial condylar graft) and to insufficient preparation of the bony bed in the second (bleeding bone was not exposed). Evidence for incorporation of the grafts was obtained by tomogram, bone scan, and bone biopsy. Incorporation was present by six months, but the time to complete remodeling was not determined. A bone graft is recommended for tibial defect involving 50% or more of the bony support of either tibial plateau. A bone graft is indicated whenever a cement column under the prosthesis would measure more than 5 mm in height.
An Improved Strategy for Generating Forces in Steered Molecular Dynamics: The Mechanical Unfolding of Titin, e2lip3 and Ubiquitin (2010)

One of the applications of Molecular Dynamics (MD) simulations is to explore the energetic barriers to mechanical unfolding of proteins such as occurs in response to the mechanical pulling of single molecules in Atomic Force Microscopy (AFM) experiments. Although Steered Molecular Dynamics simulations have provided microscopic details of the unfolding process during the pulling, the simulated forces required for unfolding are typically far in excess of the measured values. To rectify this, we have developed the Pulsed Unconstrained Fluctuating Forces (PUFF) method, which induces constant-momentum motions by applying forces directly to the instantaneous velocity of selected atoms in a protein system. The driving forces are applied in pulses, which allows the system to relax between pulses, resulting in more accurate unfolding force estimations than in previous methods. In the cases of titin, ubiquitin and e2lip3, the PUFF trajectories produce force fluctuations that agree quantitatively with AFM experiments. Another useful property of PUFF is that simulations get trapped if the target momentum is too low, simplifying the discovery and analysis of unfolding intermediates.
Long-Range Facility Planning Based on Dynamic Programming for Optimum Combined Cost and Probability Paths (2010)

Dynamic programming (DP)-based planning algorithms have been shown to be valuable tools since they provide a basis for sampling, enumeration, and optimization of options for long-range deployment of facilities. Previous applications of DP to optimize pipeline long-range facility planning problems based on either the least-cost path for the facility or the most-probable path for noncost constraints have been documented in the literature. Such applications, however, are faced with a challenge in selecting the optimum facility deployment path, as the least-cost path does not always necessarily coincide with the most-probable path. As a result, the selection of a path that combines both features has to be achieved through a subjective compromise and in a rather arbitrary manner. In the present paper, two new DP methods have been developed which are based on the concept of combining cost and probability to give a single-objective probability-adjusted cost. One method incorporated the probability of each arc in the DP architecture using a variation of the Black-Scholes partial differential equation. The solution of the resulting equation gave a probability-adjusted arc cost dependent on the year (or stage) the cost incurred, the overall probability of all constraints associated with this arc, and the risk-free rate. The other method was based on simply dividing the present value of each arc cost by its probability to give a single probability-adjusted cost. Both approaches were applied to a complex DP architecture composed of 10 stages and 10 different options at each stage in which all options were available at every stage in a directed manner. The optimum paths from the new approaches were compared to the least-cost options, and most-probable options, and were found to combine the two features. Finally, all options from all methods were found to lie on a Pareto front obtained from a multiobjective genetic algorithm.