gebhart/patrepeval huggingface dataset:
Nickel-catalyzed transamidation of aliphatic amide derivatives (2017)

Transamidation, or the conversion of one amide to another, is a long-standing challenge in organic synthesis. Although notable progress has been made in the transamidation of primary amides, the transamidation of secondary amides has remained underdeveloped, especially when considering aliphatic substrates. Herein, we report a two-step approach to achieve the transamidation of secondary aliphatic amides, which relies on non-precious metal catalysis. The method involves initial Boc-functionalization of secondary amide substrates to weaken the amide C-N bond. Subsequent treatment with a nickel catalyst, in the presence of an appropriate amine coupling partner, then delivers the net transamidated products. The transformation proceeds in synthetically useful yields across a range of substrates. A series of competition experiments delineate selectivity patterns that should influence future synthetic design. Moreover, the transamidation of Boc-activated secondary amide derivatives bearing epimerizable stereocenters underscores the mildness and synthetic utility of this methodology. This study provides the most general solution to the classic problem of secondary amide transamidation reported to date.
THE SMALL OBJECTS (2013)

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Transcription of a Donor Enhances Its Use during Double-Strand Break-Induced Gene Conversion in Human Cells (2006)

Homologous recombination (HR) mediates accurate repair of double-strand breaks (DSBs) but carries the risk of large-scale genetic change, including loss of heterozygosity, deletions, inversions, and translocations. Nearly one-third of the human genome consists of repetitive sequences, and DSB repair by HR often requires choices among several homologous repair templates, including homologous chromosomes, sister chromatids, and linked or unlinked repeats. Donor preference during DSB-induced gene conversion was analyzed by using several HR substrates with three copies of neo targeted to a human chromosome. Repair of I-SceI nuclease-induced DSBs in one neo (the recipient) required a choice between two donor neo genes. When both donors were downstream, there was no significant bias for proximal or distal donors. When donors flanked the recipient, we observed a marked (85%) preference for the downstream donor. Reversing the HR substrate in the chromosome eliminated this preference, indicating that donor choice is influenced by factors extrinsic to the HR substrate. Prior indirect evidence suggested that transcription might increase donor use. We tested this question directly and found that increased transcription of a donor enhances its use during gene conversion. A preference for transcribed donors would minimize the use of nontranscribed (i.e., pseudogene) templates during repair and thus help maintain genome stability.
pH‐Tunable Calcium Phosphate Covered Mesoporous Silica Nanocontainers for Intracellular Controlled Release of Guest Drugs (2011)

Springing the trap: A pH-responsive mesoporous silica nanoparticle with a calcium phosphate (CaP) pore-blocking coating was developed by enzyme-mediated surface mineralization under mild conditions. Upon exposure to cellular lysosomal pH, guest anticancer drug was released from the pore by dissolution of the CaP pore blocker (see picture; HAp=hydroxyapatite).
Integrated Building Energy Systems Design Considering Storage Technologies (2009)

The addition of storage technologies such as flow batteries, conventional batteries, and heat storage can improve the economic, as well as environmental attraction of micro-generation systems (e.g., PV or fuel cells with or without CHP) and contribute to enhanced demand response. The interactions among PV, solar thermal, and storage systems can be complex, depending on the tariff structure, load profile, etc. In order to examine the impact of storage technologies on demand response and CO2 emissions, a microgrid's distributed energy resources (DER) adoption problem is formulated as a mixed-integer linear program that can pursue two strategies as its objective function. These two strategies are minimization of its annual energy costs or of its CO2 emissions. The problem is solved for a given test year at representative customer sites, e.g., nursing homes, to obtain not only the optimal investment portfolio, but also the optimal hourly operating schedules for the selected technologies. This paper focuses on analysis of storage technologies in micro-generation optimization on a building level, with example applications in New York State and California. It shows results from a two-year research project performed for the U.S. Department of Energy and ongoing work. Contrary to established expectations, our results indicate that PV and electric storage adoption compete rather than supplement each other considering the tariff structure and costs of electricity supply. The work shows that high electricity tariffs during on-peak hours are a significant driver for the adoption of electric storage technologies. To satisfy the site's objective of minimizing energy costs, the batteries have to be charged by grid power during off-peak hours instead of PV during on-peak hours. In contrast, we also show a CO2 minimization strategy where the common assumption that batteries can be charged by PV can be fulfilled at extraordinarily high energy costs for the site.
A Randomized Trial of Weighted Vest Use in Ambulatory Older Adults: Strength, Performance, and Quality of Life Outcomes (2000)

Weighted vest use did not result in improvement in multiple domains of strength and function and did not affect bone turnover markers. We conclude that the training stimulus afforded by the vest (at the dosage tested) was below the required amount to produce strength gains or bone stimulation.
In-plane shear behavior of 3D spacer knitted fabrics (2015)

The shear behavior of 3D spacer knitted fabrics was investigated by using a picture frame fixture. Three different methods were used to find the shear angle during loading rate of 10 mm/min. All the tests were recorded by a CCD monochrome camera. The images acquired during loading process were used for analysis in order to obtain the full-field displacement and shear angles at chosen points on the surface of test specimen. An experimental and analytical investigation of picture frame shear fixture was conducted to determine its suitability for measuring intra-ply shear properties of 3D knitted spacer fabrics. In this work, a fixture was designed to analyze the in-plane shear behavior of these fabrics. The nonlinear behavior of shear force versus shear angle and the deformation mechanism were analyzed. The curves for shear force versus shear angle and position of buckling for in-plane shear test are recorded by considering two different frame lengths in order to compare with each other. Load–displacement curves of intra-ply shear tests are also analyzed. In addition to this, a program was developed in MATLAB using Hough transform to analyze the shear angle in the real-time image taken during displacement of specimen at various positions. The results of image analysis were compared with the actual experimental results. These findings are important requirements for further improvements in designing of picture frame fixture and to study the in-plane shear properties of 3D fabrics.
Modification of grain boundaries in polycrystalline silicon with fluorine and oxygen (1981)

Hydrogen plasmas have been shown to significantly reduce barrier heights and recombination center densities in the grain boundaries in polycrystalline silicon. These results have stimulated interest in the use of other modifying agents. We demonstrate here that the exposure of n-type polycrystalline silicon to fluorine and oxygen in molecular and atomic forms can result in increased potential barrier heights. This has implications for the development of silicon varistors and capacitors for use in integrated circuits.
Lumbar Subarachnoid Ethylenediaminetetraacetate Induces Hindlimb Tetanic Contractions in Rats (1992)

Disodium ethylenediaminetetraacetate (Na2EDTA) has replaced sodium bisulfite as the antioxidant in 2-chloroprocaine, Nesacaine CE. This study was undertaken to determine whether this new formulation has neurotoxic effects when administered in the subarachnoid space. Sprague-Dawley rats receiving subarachnoid injections of 1.5 mM or higher concentrations of Na2EDTA immediately initiated a circling behavior that was followed by the development of tetanic contractions of the hindlimbs lasting for 15-20 min. The tetanic contractions were followed by a brief period of hindlimb paralysis. Pretreatment of rats by subarachnoid injections of 1 mM CaCl2 prevented the development of tetanic contractions and paralysis of the hindlimb. Histologic examination of animals receiving Na2EDTA revealed moderate to severe focal degenerative changes in spinal nerve roots. Control rats receiving subarachnoid injections of normal saline solution did not develop tetanic contraction nor pathological changes on light microscopy. These results suggest that the preservative used in Nesacaine-MPF may be neurotoxic.
Quantum approach to<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mfrac><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow><mml:mi>f</mml:mi></mml:mrow></mml:mfrac></mml:math>noise (1980)

On the basis of the known experimental properties of $\frac{1}{f}$ noise, some previous models are analyzed. The presence of $\frac{1}{f}$ noise in the simplest systems such as beams of charged particles in vacuum, the existence of $\frac{1}{f}$ noise in currents limited by the surface recombination rate, bulk recombination rate, or by the finite mobility determined by interaction with the phonons in solids, suggests a fundamental fluctuation of the corresponding elementary cross sections. This leads to fluctuations of the kinetic transport coefficients such as mobility $\ensuremath{\mu}$ or recombination speed, observable both in equilibrium and nonequilibrium. In the first case the available Johnson noise power $\mathrm{kT}$, determined by the Nyquist theorem, is free of this type of $\frac{1}{f}$ fluctuation. An elementary calculation is presented which shows that any cross section, or process rate, involving charged particles, exhibits $\frac{1}{f}$ noise as an infrared phenomenon. For single-particle processes, the experimental value of Hooge's constant is obtained as an upper limit, corresponding to very large velocity changes of the current carriers, close to the speed of light. The obtained ${sin}^{2}(\frac{\ensuremath{\theta}}{2})$ dependence on the mean scattering angle predicts much lower $\frac{1}{f}$ noise for (low-angle) impurity scattering, showing a strong ($\ensuremath{\sim}\frac{{\ensuremath{\mu}}^{2}}{{\ensuremath{\mu}}_{\mathrm{latt}}^{2}}$) noise increase with temperature at the transition to lattice scattering. This is in qualitative agreement with measurements on thin films and on heavily doped semiconductors, or on manganin. The theory is based on the infrared quasidivergence present in all cross sections (and in some autocorrelation functions) due to interaction of the current carriers with massless infraquanta: photons, electron-hole pair excitations at metallic Fermi surfaces, generalized spin waves, transverse phonons, hydrodynamic excitations of other quanta, very low-energy excitations of quasidegenerate states observed, e.g., in disordered materials, at surfaces, or at lattice imperfections, etc. The observed $\frac{1}{f}$ noise is the sum of these contributions, and can be used to detect and study new infraquanta.
Experiences With On-Line Explosive De-Slagging at Covanta WTE Facilities (2007)

An on-line cleaning technique perfected in Europe, which places low-yield explosive charges in close proximity to tube lane pluggage, and uses pre- and post-cleaning video camera surveillance to document results, has been tested at three WTE facilities in the western U.S. operated by Covanta. Testing indicates several tangible benefits relative to the more traditional off-line blasting, water washing (on-line and off-line), and stick blasting (on-line), including: • substantial elimination of cleaning related downtime between maintenance outages; • longer runtimes with less overall fouling and pluggage related ailments; • reduced off-line cleaning time at the beginning of major outages to the benefit of the outage schedule; • exemplary safety of the on-line cleaning process; • less wear and tear on pressure parts and boiler casings; and, • almost no fugitive dust problems in the boiler house that may occur with off-line blasting. The process starts with an initial video survey of fouling conditions. A water-cooled camera with purge air and temperature monitoring is inserted into the flue gas to record the fouling condition of the boiler. Following the survey, a cleaning plan is developed. Shots consist of low-yield detonating cord encased in thin gage aluminum alloy tubing. The charges are positioned in the gas lanes between tubes while being cooled with a water-air mixture and detonated. Following the cleaning effort, a final camera survey is done to verify the cleaning effectiveness, and to follow up with touch-up cleaning if necessary.
Involvement of neuropeptide FF receptors in neuroadaptive responses to acute and chronic opiate treatments (2011)

BACKGROUND AND PURPOSE Opiates remain the most effective compounds for alleviating severe pain across a wide range of conditions. However, their use is associated with significant side effects. Neuropeptide FF (NPFF) receptors have been implicated in several opiate-induced neuroadaptive changes including the development of tolerance. In this study, we investigated the consequences of NPFF receptor blockade on acute and chronic stimulation of opioid receptors in mice by using RF9, a potent and selective antagonist of NPFF receptors that can be administered systemically. EXPERIMENTAL APPROACH The effects of RF9 were investigated on opioid pharmacological responses including locomotor activity, antinociception, opioid-induced hyperalgesia, rewarding properties and physical dependence. KEY RESULTS RF9 had no effect on morphine-induced horizontal hyperlocomotion and slightly attenuated the decrease induced in vertical activity. Furthermore, RF9 dose-dependently blocked the long-lasting hyperalgesia produced by either acute fentanyl or chronic morphine administration. RF9 also potentiated opiate early analgesic effects and prevented the development of morphine tolerance. Finally, RF9 increased morphine-induced conditioned place preference without producing any rewarding effect by itself and decreased naltrexone-precipitated withdrawal syndrome following chronic morphine treatment. CONCLUSION AND IMPLICATIONS The NPFF system is involved in the development of two major undesirable effects: tolerance and dependence, which are clinically associated with prolonged exposure to opiates. Our findings suggest that NPFF receptors are interesting therapeutic targets to improve the analgesic efficacy of opiates by limiting the development of tolerance, and for the treatment of opioid dependence.
Imatinib Is Effective in Children With Previously Untreated Chronic Myelogenous Leukemia in Early Chronic Phase: Results of the French National Phase IV Trial (2011)

Imatinib is effective in children with CML in CP with response rates similar to rates reported in adults. The adverse effects are acceptable, but longer follow-up studies are required to fully assess the long-term impact.
Improving software security via runtime instruction-level taint checking (2006)

Current taint checking architectures monitor tainted data usage mainly with control transfer instructions. An alarm is raised once the program counter becomes tainted. However, such architectures are not effective against non-control data attacks. In this paper we present a generic instruction-level runtime taint checking architecture for handling non-control data attacks. Under our architecture, instructions are classified as either Taintless-Instructions or Tainted-Instructions prior to program execution. An instruction is called a Tainted-Instruction if it is supposed to deal with tainted data. Otherwise it is called a Taintless-Instruction. A security alert is raised whenever a Taintless-Instruction encounters tainted data at runtime. The proposed architecture is implemented on the SimpleScalar simulator. The preliminary results from experiments on SPEC CPU 2000 benchmarks show that there are a significant amount of Taintless-Instructions. We also demonstrate effective usages of our architecture to detect buffer overflow and format string attacks.
Loading of MOF-5 with Cu and ZnO Nanoparticles by Gas-Phase Infiltration with Organometallic Precursors: Properties of Cu/ZnO@MOF-5 as Catalyst for Methanol Synthesis (2008)

The loading of [Zn(4)O(bdc)(3)] (MOF-5; bdc = 1,4-benzenedicarbocylate) with nanocrystalline Cu and ZnO species was achieved in a two-step process. First, the solvent-free gas-phase adsorption of the volatile precursors [CpCuL] (L = PMe(3), CN(t)Bu) and ZnEt(2) leads to the isolable inclusion compounds precursor@MOF-5. These intermediates were then converted into Cu@MOF-5 and ZnO@MOF-5 by hydrogenolysis or photoassisted thermolysis at 200-220 degrees C in the case of Cu and hydrolysis or dry oxidation at 25 degrees C followed by annealing 250 degrees C in the case of ZnO. (17)O labeling studies using H(2) (17)O (30%) revealed that neither the bdc linkers nor the central oxide ion of the Zn(4)O unit exchange oxygen atoms/ions with the imbedded ZnO species. The obtained material Cu@MOF-5 (11 wt % Cu), exhibiting an equivalent Langmuir surface of 1100 m(2) . g(-1), wag further characterized by powder X-ray diffraction (PXRD), X-ray absorption spectroscopy (XAS), and transmission electron microscopy (TEM). The Cu nanoparticles are homogeneously distributed over the MOF-5 microcrystals, occupying only about 1% of the cavities. Their size distribution appears to be polydisperse with a majority around 1 mn in size (by EXAFS) together with a minority of larger particles up to 3 nm (PXRD). Cu@MOF-5 was reversibly surface oxidized/reduced by N(2)O/H(2) treatment, resulting in a (Cu(2)O/Cu)@MOF-5 material as revealed by PXRD and XAS. Depending on the preparation conditions of the ZnO @MOF-5 materials a variation of the ZnO loading from 10 to 35 wt % was achieved. PXRD, TEM, UV-vis, and (17)O-MAS NMR spectroscopy gave evidence for a largely intact MOF-5 matrix with imbedded ZnO nanoparticles < 4 mn being in the quantum size regime. Doubly-loaded (Cu/ZnO)@MOF-5 samples were prepared by gas-phase loading of ZnO@MOF-5 with [CpCuL] followed by thermally activated hydrogenolysis. The initial catalytic productivity in methanol synthesis from a CO/CO(2)/H(2) gas mixture at 1 atm and 220 degrees C peaked at about 60% of an industrial reference catalyst. This result is particular surprising because of the comparably low Cu loading (1.4 wt %) and small Cu specific surface area < 1 m(2). g(-1), thus suggesting a superior interfacial contact between the Cu and ZnO nanophases. However, the materials (Cu/ZnO)@MOF-5 were unstable under catalytic conditions over several hoours, the metal organic framework collapsed, and the final catalytic activities were poor.
Visualization, characterization, and turnover of CD8+ memory T cells in virus-infected hosts. (1996)

The cellular basis of T cell memory is a controversial issue and progress has been hampered by the inability to induce and to trace long-term memory T cells specific for a defined antigen in vivo. By using the murine model of lymphocytic choriomeningitis virus (LCMV) infection and an adoptive transfer system with CD8+ T cells from transgenic mice expressing an LCMV-specific T cell receptor, a population of authentic memory T cells specific for LCMV was generated and analyzed in vivo. The transgenic T cells that have expanded (1,000-fold) and then decreased (10-fold) in LCMV-infected C57BL/6 recipient mice exhibited the following characteristics: they were (a) of larger average cell size than their naive counterparts but smaller than day 8 effector cells; (b) heterogeneous with respect to expression of cell surface "memory" markers; and (c) directly cytolytic when isolated from recipient spleens. The time-dependent proliferative activity of these LCMV-specific memory T cells was analyzed in the recipients by bromodeoxyuridine labeling experiments in vivo. The experiments revealed that LCMV-specific CD8+ memory T cells can persist in LCMV-immune mice for extended periods of time (>2 mo) in the absence of cell division; the memory population as a whole survived beyond 11 mo.
Dependence of rate constants of heterogeneous electron transfer reactions on viscosity (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDependence of rate constants of heterogeneous electron transfer reactions on viscosityX. Zhang, Johna Leddy, and Allen J. BardCite this: J. Am. Chem. Soc. 1985, 107, 12, 3719–3721Publication Date (Print):June 1, 1985Publication History Published online1 May 2002Published inissue 1 June 1985https://pubs.acs.org/doi/10.1021/ja00298a054https://doi.org/10.1021/ja00298a054research-articleACS PublicationsRequest reuse permissionsArticle Views699Altmetric-Citations114LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Preparation and Properties of the 5,6- and 4,6(5,7)-Dinitro Derivatives of Benzimidazole and their 1-β-D-Ribofuranosides (1989)

Abstract Nitration of benzimidazole leads to the formation of the two isomeric 5,6- and 4,6(5,7)-dinitrobenzimidazoles, which may be isolated by fractional crystallization. The chloromercury salts of these were employed to synthesize the corresponding 1-β-D-ribofuranosides, unequivocally characterized by 1H NMR spectroscopy. Reference is made to the biological significance of these results.
Tetrahydrobiopterin metabolism in senile dementia of Alzheimer type. (1983)

Tetrahydrobiopterin metabolism was shown to be disturbed in 18 patients with senile dementia of Alzheimer type. This may have a bearing on the pathogenesis of the disease.