gebhart/patrepeval huggingface dataset:
CuH-Catalyzed Olefin Functionalization: From Hydroamination to Carbonyl Addition (2020)

In organic synthesis, ligand-modified copper(I) hydride (CuH) complexes have become well-known reagents and catalysts for selective reduction, particularly toward Michael acceptors and carbonyl compounds. Recently, our group and others have found that these hydride complexes undergo migratory insertion (hydrocupration) with relatively unactivated and electronically unpolarized olefins, producing alkylcopper intermediates that can be leveraged to forge a variety of useful bonds. The resulting formal hydrofunctionalization reactions have formed the basis for a resurgence of research in CuH catalysis. This Account chronicles the development of this concept in our research group, highlighting its origin in the context of asymmetric hydroamination, evolution to more general C-X bond-forming reactions, and applications in the addition of olefin-derived nucleophiles to carbonyl derivatives.Hydroamination, the formal insertion of an olefin into the N-H bond of an amine, is a process of significant academic and industrial interest, due to its potential to transform widely available alkenes and alkynes into valuable complex amines. We developed a polarity-reversed strategy for catalytic enantioselective hydroamination relying on the reaction of olefins with CuH to generate chiral organocopper intermediates, which are intercepted by electrophilic amine reagents. By engineering the auxiliary ligand, amine electrophile, and reaction conditions, the scope of this method has since been extended to include many types of olefins, including challenging internal olefins. Further, the scope of amine reagents has been expanded to enable the synthesis of primary, secondary, and tertiary amines as well as amides, N-alkylated heterocycles, and anilines. All of these reactions exhibit high regio- and stereoselectivity and, due to the mild conditions required, excellent tolerance for heterocycles and polar functional groups.Though the generation of alkylcopper species from olefins was originally devised as a means to solve the hydroamination problem, we soon found that these intermediates could react efficiently with an unexpectedly broad range of electrophiles, including alkyl halides, silicon reagents, arylpalladium species, heterocycles, and carbonyl derivatives. The general ability of olefins to function as precursors for nucleophilic intermediates has proved particularly advantageous in carbonyl addition reactions because it overcomes many of the disadvantages associated with traditional organometallic reagents. By removing the need for pregeneration of the nucleophile in a separate operation, CuH-catalyzed addition reactions of olefin-derived nucleophiles feature improved step economy, enhanced functional group tolerance, and the potential for catalyst control over regio- and stereoselectivity. Following this paradigm, feedstock olefins such as allene, butadiene, and styrene have been employed as reagents for asymmetric alkylation of ketones, imines, and aldehydes.
ChemInform Abstract: Novel para‐Substituted Benzyl Ethers for Hydroxyl Group Protection. (1999)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Ventral hippocampal mossy cell hyperactivity degrades dorsal hippocampal mnemonic function via longitudinal projections (2020)

Abstract The anterior hippocampus of individuals with early psychosis or schizophrenia is hyperactive compared to healthy controls. In rodent models of schizophrenia etiology, the ventral hippocampus, analogous to the human anterior hippocampus, is also hyperactive with effects on extrahippocampal neural circuits that might contribute to positive, negative, and cognitive symptoms. Less is known about how anterior hippocampal hyperactivity might directly influence intrahippocampal function across the structure’s longitudinal axis. This question is important for understanding cognitive dysfunction in schizophrenia, which includes deficits attributed to both the anterior and posterior hippocampus. We hypothesized that hyperactivity of ventral hippocampal mossy cells, which send dense longitudinal projections throughout the hippocampal longitudinal axis, may be sufficient to disrupt spatial memory encoding, a dorsal hippocampal-dependent function. Using an intersectional viral strategy, we targeted ventral mossy cells projecting to the dorsal dentate gyrus. In vivo fiber photometry revealed these cells were activated during behavior related to context mapping but not during non-exploratory motor behaviors. Anterograde transsynaptic tracing and optogenetic terminal stimulation revealed functional connectivity between ventral mossy cells and dorsal dentate gyrus granule cells. Finally, chemogenetic activation of ventral mossy cells during the encoding phase of an object location memory task impaired retrieval 24 hours later, without effects on locomotion or other exploratory behaviors. These findings suggest that anterior hippocampal hyperactivity may have intrahippocampal consequences to degrade posterior hippocampal function and support future studies engaging this circuit target to mitigate specific cognitive deficits associated with schizophrenia.
Thermal Design of a High-Current Solid State Circuit Breaker for DC Shipboard Power Systems (2019)

We present the design and experimental validation of the thermal system for a high-current solid-state circuit breaker. The circuit breaker is designed to support DC distribution systems for all-electric ships, which are an active area of academic research and industrial development. Solid state DC circuit breakers can limit fault current at least one order of magnitude faster than traditional mechanical or hybrid solutions. However, they also have significantly higher loss, making the design of their thermal systems critical to their operation. In addition, high power density, small form factor, and high reliability is a must for shipboard applications. The developed solid state DC circuit breaker was tested with a continuous current up to 1500 A with a resulting power density of 18 MW/m <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sup> per pole at a system voltage up to 1 kV.
Effective activation of metallocene catalysts with supported-type Ph3CClO4 in ethylene polymerization (2000)

Supported type cocatalysts using triphenylcarbenium perchlorate (Ph3CClO4) were prepared by impregnation on inorganic carrier, magnesium chloride (MgCl2) and applied to ethylene polymerizations with rac-Et[Ind]2ZrCl2. Homogeneous polymerizations with Ph3CClO4 were also carried out for comparison. The activity of homogeneous polymerization was much lower than that obtained with methylaluminoxane (MAO). On the other hand, rac-Et[Ind]2ZrCl2 activated by the supported type Ph3CClO4/MgCl2 system displayed high activity comparable to that obtained with MAO. From the results of fractionation and polymerization of the rac-Et[Ind]2ZrCl2-Ph3CClO4/MgCl2 catalyst system, it was found that the increased activity mainly came from the active species in the supernatant part. UV-vis spectroscopic measurements combined with ICP analysis indicate that the active species in the supernatant fraction are composed of a stoichiometric amount of perchlorate and metallocene catalyst.
Trends in reporting of mechanisms and incidence of hip injuries in males playing minor ice hockey in Canada: a cross-sectional study (2014)

Reporting of hip injuries in amateur ice hockey players is increasing. A more accurate injury reporting system is critical for future epidemiologic studies to accurately document the rate and mechanism of hip injury in amateur ice hockey players.
Effects of Recomintert Interferon-τ on Ovine Lentivirus Replication (1996)

As a pregnancy recognition signal, sheep trophoblast cells secrete a type I interferon, ovine interferon-tau (OvIFN-tau), which has potent antiviral activity. We studied the effects of a recombinant protein (rOv-IFN-tau) on the replication of ovine lentivirus (OvLV) in goat synovial membrane cells. The amount of provirus DNA, as measured by polymerase chain reaction (PCR), the virus titers, and the number of OvLV-induced syncytia were 76.5%, 82%, and 95%, respectively, lower in cultures treated with rOv-IFN-tau than in placebo-treated controls (p < 0.01). rOv-IFN-tau also reduced OvLV reverse transcriptase activity and protected cells from OvLV-induced cell lysis, but the effect was less dramatic. The antiviral activity increased with the concentration up to a maximum with 256 antiviral units of rOv-IFN-tau per ml.
Competitive technology approaches for Electronic Hybridisation Detection in a microsystem with microfluidics for diagnosis genetic tests (2006)

This paper is presenting competitive technology alternatives for the electronic hybridization detection in a microsystem with microfluidics for diagnosis genetic tests that are carried out by two competitive research projects. The technologies developed are a photosensor, a capacitive sensor and an optical real-time affinity biosensor. The performance of those biosensors will be evaluated but also their manufacturability and cost will define the appropriateness of each one for industrialization and their integration on a microsystem for diagnosis genetic testing.
Rapid Improvement of Patient-reported CDAI Diary Components by Day 8 in Active Crohnʼs Disease Patients Treated with Certolizumab Pegol (2009)

Purpose: Patients (pts) with active Crohn's disease (CD) require rapid symptom relief. Published data give little resolution and offer only point assessments. The rapidity of a drug's onset of action can be examined through pt-reported diary card component of the CD Activity Index (CDAI). The aim was to investigate onset of action of certolizumab pegol (CZP) by assessing the CDAI components of response, and symptomatic improvement following CZP treatment in PRECiSE 2. Methods: Pts with active CD (CDAI 220-450) had open-label (OL) induction with CZP 400 mg (wks 0, 2 and 4). The CDAI was used to determine response (≥100-point CDAI reduction from wk 0). Post-hoc analyses of the 3 pt-reported CDAI components of the diary cards: number of loose/liquid stools/day, abdominal pain and general well-being (table), were examined from baseline to day 8. Findings for wk 6 responders were compared with nonresponders (NRs). Results: Of pts on induction (n=668), 428 (64%) responded at wk 6 (responders) and received double-blind Q4-week maintenance treatment, while 240 (36%) were NRs at wk 6 and discontinued. At baseline (day 0), the mean number of loose/liquid stools was similar in the responders and NRs (4.9 vs 5.1). By day 8, the mean number of stools/day had decreased by 1.5 in the responders (95% CI: -1.7, -1.2) and 0.7 in the nonresponders (95% CI: -1.0, -0.3). At baseline, the majority of responders and NRs rated their abdominal pain as moderate and their general well-being as poor (table). By day 8, there appeared to be a difference in the responders and NRs ratings for abdominal pain (p=0.002) and general well being (p=0.001). In the responders and NRs with severe abdominal pain and a terrible general well being at baseline, 17.6% and 11.5% rated no pain, and 16.7% and 9.5% rated themselves as generally well by day 8. Conclusion: Anti-TNF-α therapy, as exemplified by CZP, rapidly improved symptoms as early as day 8, as shown by a reduction in the number of loose/ liquid stools, abdominal pain and improvement of general well-being in pts with active CD. Disclosure: Dr Schreiber is a consultant for UCB; Dr Kareemi is a consultant for UCB; Dr Lawrance is a consultant for UCB; Dr Thomsen is a consultant for UCB; Mr Bloomfield is an employee of UCB; Dr Sandborn is a consultant for UCB. This research was supported by an industry grant from UCB.Table
A high-quality and energy-tunable positronium beam system employing a trap-based positron beam (2019)

We constructed a new apparatus, built upon a trap-based slow positron beam, for the production of a collimated, energy-tunable positronium beam under ultra-high vacuum conditions employing the photodetachment of positronium negative ions. A slow positron generator consisting of a <sup>22</sup>Na radioisotope (20 mCi) combined with a buffer-gas positron trap is employed to generate high-quality, nano-second positron bursts with a repetition rate of 1 Hz-1 kHz. The positron bursts are focused onto an efficient positron-to-positronium negative ion converter, a Na-coated W thin film in a transmission geometry, using a magnetic lens system. The ions emitted from the opposite surface of the film are electrostatically accelerated to a given energy and photodetached by a pulsed infrared laser to form a mono-energetic positronium beam with kinetic energies of 0.2 keV-3.3 keV. The achieved detection rate of Ps atoms is 23 cps at the energy of 3.3 keV with a signal-to-background ratio as high as 300. The energy spread of the beam was evaluated by comparing the result of the time-of-flight measurements and particle-tracking simulations. With the use of a collimator of 1 mm diameter, a coherent beam with an angular divergence of less than 0.3° is obtained. The obtained Ps beam, having a much higher quality than those reported hitherto, will open up a new field of experimental investigations, such as Ps interacting with a variety of materials and fundamental studies on Ps spectroscopy.
IgM-Linked SerpinB3 and SerpinB4 in Sera of Patients with Chronic Liver Disease (2012)

IgM-linked SCCA isoforms in serum of patients with chronic liver diseases were quantified for the first time. Although the number of patients was limited, this preliminary study reveals that the relative balance of the two serpin isoforms is altered in HCC and it is characterized by a lower serpinB4-IgM/serpinB3-IgM ratio, determined by lower serpinB4 levels.
Achieving Efficiency and Fairness in 802.11-Based Vehicle-to-Infrastructure Communications (2011)

An efficient medium access control (MAC) protocol should yield maximum throughput and fairness. However, because these two performance metrics have conflicting interests, an effective solution must address the trade-off between them. In this paper, we study the performance of the IEEE 802.11p MAC protocol in vehicle-to-infrastructure communications. The main focus is the trade-off between the system throughput and the level of fairness among the communicating nodes, which leads to a customized optimization problem. Accordingly, we formulate a multiobjective optimization problem to optimize both throughput and fairness, and propose a dynamic mechanism to maintain fairness among the mobile nodes. The optimization problem is solved by means of an approximate numerical solution, the results of which demonstrate the effectiveness of the proposed MAC scheme in terms of throughput and short-/long-term fairness.
Mechanism of irradiation‐induced mammary cancer metastasis: A role for SAP‐dependent Mkl1 signaling (2015)

Radiotherapy is a standard treatment after conservative breast cancer surgery. However, cancers relapsing within a previously irradiated area have an increased probability to metastasize. The mechanisms responsible for this aggressiveness remain unclear. Here, we used the clinically relevant 4T1 breast cancer model mimicking aggressive local relapse after radiotherapy to identify differences between tumors grown in untreated versus preirradiated mammary glands. Tumors grown within preirradiated beds were highly enriched in transcripts encoding collagens and other proteins building or modifying the extracellular matrix, such as laminin-332, tenascins, lysyl oxidases and matrix metalloproteinases. Type I collagen, known to directly contribute to tissue stiffening, and the pro-metastatic megakaryoblastic leukemia-1 (Mkl1) target gene tenascin-C were further investigated. Mammary tissue preirradiation induced Mkl1 nuclear translocation in the tumor cells in vivo, indicating activation of Mkl1 signaling. Transcript profiling of cultured 4T1 cells revealed that the majority of the Mkl1 target genes, including tenascin-C, required serum response factor (SRF) for their expression. However, application of dynamic strain or matrix stiffness to 4T1 cells converted the predominant SRF/Mkl1 action into SAP domain-dependent Mkl1 signaling independent of SRF, accompanied by a switch to SAP-dependent tumor cell migration. 4T1 tumors overexpressing intact Mkl1 became more metastatic within preirradiated beds, while tumors expressing Mkl1 lacking the SAP domain exhibited impaired growth and metastatic spread, and decreased Mkl1 target gene expression. Thus, we identified SAP-dependent Mkl1 signaling as a previously unrecognized mediator of aggressive progression of mammary tumors locally relapsing after radiotherapy, and provide a novel signaling pathway for therapeutic intervention.
Adaptive Core Simulation Employing Discrete Inverse Theory - Part II: Numerical Experiments (2005)

AbstractUse of adaptive simulation is intended to improve the fidelity and robustness of important core attribute predictions such as core power distribution, thermal margins, and core reactivity. Adaptive simulation utilizes a selected set of past and current reactor measurements of reactor observables, i.e., in-core instrumentation readings, to adapt the simulation in a meaningful way. The companion paper, "Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory," describes in detail the theoretical background of the proposed adaptive techniques. This paper, Part II, demonstrates several computational experiments conducted to assess the fidelity and robustness of the proposed techniques. The intent is to check the ability of the adapted core simulator model to predict future core observables that are not included in the adaption or core observables that are recorded at core conditions that differ from those at which adaption is completed. Also, this paper demonstrates successful utilization of an efficient sensitivity analysis approach to calculate the sensitivity information required to perform the adaption for millions of input core parameters. Finally, this paper illustrates a useful application for adaptive simulation - reducing the inconsistencies between two different core simulator code systems, where the multitudes of input data to one code are adjusted to enhance the agreement between both codes for important core attributes, i.e., core reactivity and power distribution. Also demonstrated is the robustness of such an application.
Supplementary Video S2 from Tumor Cell–Driven Extracellular Matrix Remodeling Drives Haptotaxis during Metastatic Progression (2023)

&lt;p&gt;Supplementary Video S2. MenaINV drives haptotaxis via its interaction with alpha5beta1 in vivo.&lt;/p&gt;
Molecular nanostructures of alcohols adsorbed in micropores of active carbons (2013)

Quantitative topological analysis of molecular nanostructures of alcohols adsorbed in a model pore of active carbon depending on the micropore width and temperature is carried out. The analysis is performed using a method (MDTG) that we suggested earlier. It is based on a combination of molecular-dynamic calculations and graph theory and allows detecting and recording all molecular nanostructures observed in each shot of the molecular-dynamic path; averaging the data for any amount of such shots thus obtaining “average” concentrations of associates (dimers, trimers, etc.); and then determining concentrations and characteristics of isomers (e.g., chains, branched chains, cycles, etc.), bond widths, angles, etc., in each group of associates.
Estimation of Activity Energy Expenditure: Accelerometer Approach (2005)

A novel algorithm estimating the calorie expenditure during physical activities is introduced. The physical activity is quantified by the integration of the accelerometer signals obtained from the 3D accelerometer fixed at the waist level of the human body. Simultaneous measurements of activity and calorie expenditure using 3D accelerometer and gas analyzer show the activity calorie expenditure increases as the activity increases with different rates depending on the type of activities (e.g., walking, running) as well as the physical characteristics of the subjects (e.g., gender, age, mass, and height). Based on the experimental data gathered from 94 subjects, we suggest a new algorithm estimating the activity calorie expenditure dependent on the demographic data of the subjects and the types of the activity.
ChemInform Abstract: Synthesis and Biological Evaluation of Two Analogues of (S)‐α‐Methyl‐3‐carboxyphenylalanine. (1999)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
A gem-Organodizinc Species Assembled in a Tetrameric Cage (1998)

Treatment of both polymeric [{(2-pyridyl)(SiMe3)C}SbCl]∞ and the implied stibene (SbC) containing red oil, formed as a result of Me3SiCl elimination from [{(2-pyridyl)(SiMe3)2C}2SbCl], with excess Et2Zn in the presence of tmeda results in the geminal organodizinc chiral cage tetramer [Zn{C(SiMe3)(2-pyridyl)}]4 possessing three-coordinate metal centers, [(tmeda)Et(Cl)Zn] and [(tmeda)Et2Zn].
Influence of Boron Content on Work-hardening Behavior of Al-killed Steel Sheet (2002)

It has been reported that an addition of boron increases total elongation of continuously annealed Al-killed steel sheet and that the addition of boron is sometimes utilized for improving the formability. The purpose of this study is to investigate the influence of boron content on workhardening behavior of Al-killed steel sheet.Stress-train curves of low carbon steel depended on annealing temperature, over-aging temperature and boron content. In low boron steel, the low temperature annealing and low temperature over-aging resulted in the increase of the stress required to continue the plastic deformation in tensile test since the low temperature annealing and over-aging promoted the grain refinement and the fine carbide precipitation in matrix, respectively.In high boron steel, on the other hand, there were no influences of both the annealing temperature and over-aging temperature on the stress-train curves. The independence of the annealing temperature and over-aging temperature may be attributed to strengthening of ferrite grain boundary and the fine carbides in matrix which were promoted by the large amount of boron, respectively.The n-value of low boron steel increased significantly and showed a peak at lower strain. On contrast, the n-value of high boron steel increased slightly at lower strains and did not show a peak. In high boron steel, dynamic recovery would be activated more remarkably than in low boron steel since dislocation density in the early plastic deformation region in the tensile test may become higher by ferrite grain boundary strengthening which is due to boron segregation.