gebhart/patrepeval huggingface dataset:
Pyrazolyl‐phosphinoyl nickel (II) complexes: synthesis, characterization and ethylene dimerization studies (2019)

A series of new nickel (II) complexes of general formula [NiBr 2 (N,O) 2 ] ( Ni1 – Ni5 ) based on bidentate pyrazolyl‐phosphinoyl ligands were prepared and characterized by IR spectroscopy, elemental analysis, high‐resolution mass spectrometry (HRMS), and X‐ray crystallography for Ni1 . X‐ray crystallographic analyses of Ni1 revealed a six‐coordinate species, in which Ni (II) lies in an octaedral environment. The nickel center is chelated by two pyrazolyl‐phosphinoyl ligands with the two bromide ligands occupying mutually trans positions. Upon activation with methylaluminoxane (MAO), all nickel complexes were able to oligomerize ethylene with turnover frequencies (TOFs) varying from 5.0 to 16.6 × 10 3 (mol ethylene) (mol Ni) −1 h −1 producing selectively 1‐butene (91.0–95.5 wt%). The substitution on the pyrazolyl group and the length of the backbone chain play a significant role in the catalytic activity. The use of MAO/TMA (1:1) or MAO/TiBA (1:1) instead of MAO drastically reduced the activities. The TMA content has no significant influence on the selectivity. However, the use of TiBA leads to a reduction of 1‐butene (from 94.9 to 71.0 wt%) and an improvement in the hexene production (from 1.5 to 23.3 wt%). Under optimized reaction conditions (10 °C, 20 min, 20 bar ethylene, [Al/Ni] = 600), Ni1 /MAO catalytic system yielded TOF = 24.7 × 10 3 (mol ethylene) (mol Ni) −1 h −1 with good selectivities for α‐C4 (94.9 wt%).
Investigating photonic nanostructures for reproducible characterization of bacterial spores (2004)

Raman spectroscopy has proven to be a plausible solution to the difficult challenge of on-site detection of biological threats. Adding to the challenge is the fact that many biological species, spores specifically, have relatively low scattering cross sections. The intrinsic need to detect these threats at low concentrations and in the presence of strong background signals necessitates the need for surface enhancement schemes. With an available technique to quickly identify bacterial spores, we hope to find spectral differences between target species in order to incorporate library technologies with the on-site sensor. We are investigating many of the reported substrate classes such as: Nano-sphere lithography (NSL), Film over nano-sphere (FONS), nano-shells, electrochemically roughened metals, and dispersed and immobilized colloids. The key aspects of this work include discerning what architectural features provide the largest enhancement and reproducibility. We will present preliminary results of bacterial spore identification as well as a comparison of the substrates studied.
Computer-mediated measurement of acoustic radiation fields (1982)

By parametrizing an acoustic field as an expansion in solutions of the wave equation, one can not only predict the field at points that have not been measured, but also obtain a powerful connecting link to the detailed physics of the mechanical systems with which the field interacts. To provide such a description of an actual field one must measure its amplitude and phase at sufficiently many points, and sufficiently many frequencies, to compute the necessary coefficients; even if both domains are intelligently truncated, the amount of data to be collected and processed remains enormous. Fortunately, modern electronics and computers make such an approach practical. Illustrations will be given of (a) a system that expands a measured radiation field in spherical waves, separating outgoing from incoming waves, and classifying each by its spherical harmonic angular dependence; (b) a system that measures the radiative monopole and dipole moments of a complex vibrating structure, whose frequency dependence can then be analyzed to yield the radiative contributions of the normal modes. [Work supported by NSF.]
The Precision of Wavefront Refraction Compared to Subjective Refraction and Autorefraction (2007)

All objective refractions except for PCM10 were more repeatable across clinicians than subjective refraction. The precision of all refractions were improved by an expected amount through averaging over multiple measurements. Wavefront refractions were not as precise as standard autorefractions, although not clinically significantly worse.
Label-Free Quantitation of Protein Modifications by Pseudo Selected Reaction Monitoring with Internal Reference Peptides (2012)

Liquid chromatography tandem mass spectrometry (LC-MS/MS) based methods provide powerful tools for the quantitative analysis of modified proteins. We have developed a label-free approach using internal reference peptides (IRP) from the target protein for signal normalization without the need for isotope labeling. Ion-trap mass spectrometry and pseudo-selected reaction monitoring (pSRM) were used to acquire full MS/MS and MS(3) spectra from target peptides. Skyline, a widely used software for SRM experiments, was used for chromatographic ion extraction. Phosphopeptides spiked into a BSA background yielded concentration response curves with high correlation coefficients (typically >0.9) and low coefficients of variation (≤15%) over a 200-fold concentration range. Stable isotope dilution (SID) and IRP methods were compared for quantitation of six site-specific phosphorylations in the epidermal growth factor receptor (EGFR) in epidermal growth factor-stimulated A431 cells with or without the addition of EGFR inhibitors cetuximab and gefitinib. Equivalent responses were observed with both IRP and SID methods, although analyses using the IRP method typically had higher median CVs (22-31%) than SID (10-20%). Analyses using both methods were consistent with immunoblot using site-selective antibodies. The ease of implementation and the suitability for targeted quantitative comparisons make this method suitable for broad application in protein biochemistry.
Fully automated manipulator for Sanger dideoxy sequencing reaction (1990)

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Melting Properties of Syndiotactic Polystyrenes and Effect of Hydrogen on Molecular Weight Distribution (2005)

Abstract Summary: The melting properties of syndiotactic polystyrenes are significantly affected by the structural molecular properties of the polymers. The most important influences on the melting behavior are stereoregularity, molecular weight and molecular weight distribution of the polymers. The melting temperature is increased by an enhanced syndiotacticity at sufficiently high molecular weights and at narrow molecular weight distributions. The degree of syndiotacticity obtained primarily depends on the kind and structure of the cyclopentadienyl ligand of the transition metal catalyst, whereas the effect of the other ancillary ligands on stereoregularity is negligible at the same cyclopentadienyl ligand. At narrow molecular weight distributions with $\overline M _{\rm w} /\overline M _{\rm n}$ below 2.8 and at constant stereoregularities, the molecular weight has a remarkable effect on the melting behavior at weight‐average molecular weights lower than about 80 000 g · mol −1 , resulting in a significant decrease of the melting temperature until below 230 °C. The presence of hydrogen during polymerization leads to a significant shift to lower molecular weights at comparably small amounts of hydrogen, but results in the occurrence of an additional peak in the molecular weight distribution at larger hydrogen concentrations giving evidence for the formation of a second active polymerization site producing lower molecular weight polymers. At constant stereoregularity, the broadening of the molecular weight distribution leads to decreased melting temperatures and to improved flow properties of the syndiotactic polystyrenes with increasing shear rates at moderate molecular weight distributions. Detailed molecular weight distributions of syndiotactic polystyrenes in dependence on the hydrogen concentration. magnified image Detailed molecular weight distributions of syndiotactic polystyrenes in dependence on the hydrogen concentration.
Targeted cellular process profiling approach for uterine leiomyoma using cDNA microarray, proteomics and gene ontology analysis (2003)

This study utilized both cDNA microarray and two-dimensional protein gel electrophoresis technology to investigate the multiple interactions of genes and proteins involved in uterine leiomyoma pathophysiology. Also, the gene ontology analysis was used to systematically characterize the global expression profiles at cellular process levels. We profiled differentially expressed transcriptome and proteome in six-paired leiomyoma and normal myometrium. Screening up to 17 000 genes identified 21 upregulated and 50 downregulated genes. The gene-expression profiles were classified into mutually dependent 420 functional sets, resulting in 611 cellular processes according to the gene ontology. Also, protein analysis using two-dimensional gel electrophoresis identified 33 proteins (17 upregulated and 16 downregulated) of more than 500 total spots, which was classified into 302 cellular processes. Of these functional profilings, downregulations of transcriptomes and proteoms were shown in cell adhesion, cell motility, organogenesis, enzyme regulator, structural molecule activity and response to external stimulus functional activities that are supposed to play important roles in pathophysiology. In contrast, the upregulation was only shown in nucleic acid-binding activity. Taken together, potentially significant pathogenetic cellular processes were identified and showed that the downregulated functional profiling has a significant impact on the discovery of pathogenic pathway in leiomyoma. Also, the gene ontology analysis can overcome the complexity of expression profiles of cDNA microarray and two-dimensional protein analysis via its cellular process-level approach. Therefore, a valuable prognostic candidate gene with relevance to disease-specific pathogenesis can be found at cellular process levels.
Coatings: Dynamic Fluoroalkyl Polyethylene Glycol Co‐Polymers: A New Strategy for Reducing Protein Adhesion in Lab‐on‐a‐Chip Devices (Adv. Funct. Mater. 4/2015) (2015)

An antifouling coating that improves digital microfluidic device lifetime up to 5.5-fold relative to the state of the art is described by A. R. Wheeler and team on page 506. The material is dynamic: under standard conditions, the surface is flat and fluorinated; upon applying an electrical potential, the surface becomes activated, forming nanometer-sized fluoropegylated structures that resist protein adhesion. (Image credit: Bill Dai.)
On Radiative Heat Transfer Modeling with Relevance for Combustor and Biomass Furnaces (2007)

Thermal radiation sometimes is the dominating heat transfer mode in combustion chambers and furnaces and therefore in the design of many relevant industrial facilities prediction of it is necessary. During previous years many research efforts in the radiative heat transfer field have originated and many methods and models from simple to complex have been developed. However, the field is still open for investigation. The objectives of this thesis are to study the radiative heat transfer in combustion chambers and furnaces by both empirical and numerical methods and it has been attempted to cover some important topics in the thermal radiation field. The thesis focuses on empirical methods for heat load prediction in combustion chambers. Such a method was used to predict effects of combustor modifications in a micro gas turbine. In another study, the heat load in a gas turbine combustor was predicted by numerical methods. Both convective and radiative heat transfer were modeled. The radiative heat transfer was modeled by the discrete ordinates method and the spectral line weighted sum of grey gases model. The predicted results showed good agreement with experimental data. There are some information available on prediction of thermal radiation in coal fired boilers and the interaction of thermal radiation and particles. In this thesis, part of the study is focused on the thermal radiation in biomass boilers. Using experimental data, particle size distributions for fly ash (which is the most important particle in biomass systems) and char were extracted. The data were used to predict the scattering and absorption coefficients and phase function (using Mie scattering theory) of particles. The properties were used in some test case studies and also in a complete modeling for these types of boilers (flow field, combustion and radiation). In modeling of thermal radiation in gaseous systems, studies were carried out by the exponential wide band model and the Beer Lambert's relation for both the spectral and band analyses. In addition, the different high temperature spectroscopic databases were used to calculate the total emissivities of H2O and CO2 and they were compared with Hottel's emissivity charts. Besides, computer codes for solution of the RTE using the discrete ordinates method and the finite volume method in axisymmetric and three dimensional geometries were developed.
Structure-Property Relationships in Coextruded Foam/Film Microlayers (2004)

In this work, we have shown for the first time that assemblies of up to 64 alternating foam and film layers can be successfully made via the microlayer coextrusion technology. We have investigated the effect of some important processing variables on the foam-film structure, and have demonstrated how they can be optimized. With the optimum concentration of the right type of chemical blowing agent, the cell size can be significantly reduced for the polypropylene foam-film systems by increasing the number of layers. The foam layer density does not change significantly with increasing number of layers. Measurements of the cell density and cell volume indicate that enhanced nucleation and/or reduced coalescence is responsible for the reduction in cell size with an increasing number of layers. Constrained cell growth comes into play when a single cell/layer morphology is observed. Different types of polymers can be used as the film layer to alter the flexibility of the foam/film composite. The compressive behavior of the hard/hard polypropylene foam/polypropylene film system is similar to that of cork in terms of the compressive modulus, collapse stress, and densification strain. The tensile and compressive moduli increase with the increasing number of layers and this could be explained on the basis of an increase in the fraction of material in the cell walls, using the conventional Gibson-Ashby model. The soft/soft polyethylene foam/ethylene-styrene copolymer film system exhibits enhanced toughness in tension. The effect of the foam/film composition on the tensile and compressive moduli can be explained using the composite series and parallel models.
Synthesis and Coordinating Ability of an Anionic Cobaltabisdicarbollide Ligand Geometrically Analogous to BINAP (2004)

The anionic chelating ligand [1,1'-(PPh2)2-3,3'-Co(1,2-C2B9H10)2]- has been synthesized from [3,3'-Co(1,2-C2B9H11)2]- in very good yield in a one-pot process with an easy work-up procedure. The coordinating ability of this ligand has been studied with Group 11 metal ions (Ag, Au) and with transition-metal ions (Pd, Rh). The two dicarbollide halves of the [1,1'-(PPh2)2-3,3'-Co(1,2-C2B9H10)2]- ligand can swing about one axis in a manner analogous to the constituent parts of BINAP and ferrocenyl phosphine derivatives. All these ligands function as hinges, with the most important property in relation to the coordination requirements of the metal being the PP distance. [1,1'-(PPh2)2-3,3'-Co(1,2-C2B9H10)2]-, BINAP, ferrocenyl phosphine derivatives, and other hinge ligands present a range of different PP separations, and consequently different coordination spheres and dispositions around metal cations. To account for these differences, the equation Dphi2 = D02 + 4 R2cos2(90-phi/2) has been developed. It relates the PP distance (Dphi) in a complex with the minimum PP distance (D0) that is characteristic of the hinge-type ligand.
Lavorazione criogenica: uno stato dell’arte (2012)

NEL CAMPO DELLE LAVORAZIONI PER ASPORTAZIONE DI TRUCIOLO, LA CRIOGENIA PUÒ AVERE DUE DIFFERENTI APPLICAZIONI. ENTRAMBE HANNO COME OBIETTIVO L’AUMENTO DELLA DURATA DELLA VITA UTILE DELL’UTENSILE.
Manufacturing AISI316L Components via Selective Laser Melting Coupled with Hot Isostatic Pressing (2011)

Selective laser melting (SLMing) is a new advanced material processing technology which is used in fabricating parts with complex shape. Hot isostatic pressing (HIPing) is a manufacture technology which forms parts by imposing high heat and pressure on metal powders or semi-manufactured parts. Considering the advantages of both the technologies, they can be combined to produce higher-quality parts free from the limitation of the shape of parts. AISI316L stainless steel is widely used in manufacturing varies of complex metal parts. In this research, three AISI316L stainless steel samples with different relative densities were acquired by controlling the fabricating parameters in SLM. The SEM and optical microscopy analysis were employed to characterize the relative density, microstructure, deformation by comparing the differences between SLM samples and SLM-HIPped samples. In addition, the influence of HIP process on microstructures of samples in different laser fabricating parameters was investigated by analyzing the mechanisms of SLM and HIP. The results show that HIP can close vacuum crack and pore, consequently, the relative density of SLM samples increases after HIP, making the property of the samples improved and microstructure better-distributed. Moreover, the increment of relative density under the same HIP condition is also discussed.
Thermal effects and damping mechanisms in the forced radial oscillations of gas bubbles in liquids (1977)

A linearized theory of the forced radial oscillations of a gas bubble in a liquid is presented. Particular attention is devoted to the thermal effects. It is shown that both the effective polytropic exponent and the thermal damping constant are strongly dependent on the driving frequency. This dependence is illustrated with the aid of graphs and numerical tables which are applicable to any noncondensing gas–liquid combination. The particular case of an air bubble in water is also considered in detail.
Unification-based multimodal integration (1997)

Recent empirical research has shown conclusive advantages of multimodal interaction over speech-only interaction for map-based tasks. This paper describes a multimodal language processing architecture which supports interfaces allowing simultaneous input from speech and gesture recognition. Integration of spoken and gestural input is driven by unification of typed feature structures representing the semantic contributions of the different modes. This integration method allows the component modalities to mutually compensate for each others' errors. It is implemented in Quick-Set, a multimodal (pen/voice) system that enables users to set up and control distributed interactive simulations.
A vulnerability assessment tool for residential structures and extreme wind events (2015)

Studies of hurricane damage to residential buildings confirm that the risk of wind and/or water damage related losses can be mitigated via retrofit solutions. However, adoption of appropriate retrofits by homeowners has been limited despite its obvious benefits. For several reasons, including high cost of retrofitting, the practical difficulty of implementing upgrades, and other homeowner priorities, the level of structural retrofits remain low. This paper proposes a performance-based design approach to retrofitting, targeted for residential homeowners (and their construction team) to advise on incremental retrofits that ultimately result in desired performance targets for windresistant houses. To specifically engage the homeowner, a user-friendly smartphone application is developed that evaluates the wind resistance and vulnerability of existing homes. The app provides each homeowner an individualized vulnerability assessment, while engaging and educating them on the effects of structural systems and building characteristics on damage and on the options for retrofits and costs associated with the work. The vulnerability assessment is determined using a database of fragility curves, developed originally for the FEMA’s HAZUS-MH program, and adapted for this use. The analysis yields the top three recommended retrofits for each house as-is, and its expected hurricane-induced economic losses compared against the predicted loss if all the retrofits were conducted. Beta trials of the mobile app will be conducted in at-risk coastal communities in Florida, USA. The authors suggest that direct engagement of homeowners in identifying wind mitigation techniques and solutions may yield more positive outcomes than traditional communication approach and it may eventually increase the number of building retrofits.
Meningitis-Associated Escherichia coli (2006)

Escherichia coliis the most common Gram-negative organism causing neonatal meningitis. Neonatal E. colimeningitis continues to be an important cause of mortality and morbidity throughout the world. Our incomplete knowledge of its pathogenesis and pathophysiology contributes to such mortality and morbidity. Recent reports of neonatal meningitis caused by E. coli strains producing CTX-M-type or TEM-type extended-spectrum β-lactamases create a challenge. E. colipenetration into the brain, the essential step in the development of E. coli meningitis, requires a high-degree of bacteremia and penetration of the blood-brain barrier as live bacteria, but the underlying mechanisms remain incompletely understood. Recent functional genomic approaches of meningitis-causing E. coli in both in vitro and in vivo models of the blood-brain barrier (e.g., human brain microvascular endothelial cells and animal models of experimental hematogenousE. colimeningitis, respectively) have identified several E. coli factors contributing to a high-degree of bacteremia, as well as specific microbial factors contributing to E. coli invasion of the blood-brain barrier. In addition, E. coli penetration of the blood-brain barrier involves specific host factors as well as microbe- and host-specific signaling molecules. Blockade of such microbial and host factors and host cell signaling molecules is efficient in preventing E. coli penetration into the brain. Continued investigation of the microbial and host factors contributing to E. colibacteremia andinvasion of the blood-brain barrier is likely to identify new targets for prevention and therapy of E. coli meningitis, thereby limiting the exposure to emerging antimicrobial-resistant E. coli.
Optimal reconfiguration of radial distribution systems to maximize loadability (2004)

Summary form only given. The paper presents a new method for optimal reconfiguration of radial distribution systems (RDS). Optimal reconfiguration involves selection of the best set of branches to be opened, one each from each loop, such that the resulting RDS has the desired performance. Amongst the several performance criteria considered for optimal network reconfiguration, maximizing loadability is an important one. Owing to the discrete nature of the solution space, a fuzzy adaptation of the evolutionary programming algorithm for optimal reconfiguration of RDS to maximize loadability is proposed in this paper. This method maximizes a fuzzy index developed using a maximum loadability index. A 33-bus RDS is optimally reconfigured by the proposed method and the results are presented.
Reaktionen von Cyanidionen mit α, β‐ungesättigten Estern, II. Reaktionen von Acryl‐ und Methacrylsäure‐ethylester (1979)

Abstract Einwirkung von Natriumcyanid auf Acrylsäure‐ethylester ( 1a ) und Methacrylsäure‐ethylester ( 1b ) führt zu den 2‐Cyan‐3‐oxocyclopentancarbonsäure‐ethylestern 6a bzw. 6b . Daraus erhielt man die 3‐Oxocyclopentancarbonsäuren 7a bzw. 7b und aus 7b die isomeren Methylester 8 1 und 8 2 , die destillativ getrennt wurden.