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Butylated hydroxytoluene enediyne: access to diradical and electrophilic quinone methide intermediates 下载免费PDF全文
Edyta M. Greer Cesar S. Quezada Christopher V. Cosgriff 《Journal of Physical Organic Chemistry》2015,28(5):365-369
A theoretical study was carried out on the unimolecular reaction of an enediyne with a fused butylated hydroxytoluene to internally scavenge the p‐benzyne diradical sites formed after the Bergman cyclization. The calculations revealed that the conversion of the p‐benzyne diradical (2‐tert‐butyl‐4‐methyl‐5,8‐didehydro‐1‐naphthalenol) to p‐quinone methide is favored over the conversion to a phenoxy/benzene diradical 4 in an approximate 95:5 ratio. Based on this model, the Bergman cyclization leads in a bifunctional manner to intermediates for competing reactivity with intermolecular H‐atom abstraction. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
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Tomasz ?uczak Edyta Szymańska 《Journal of Algorithms in Cognition, Informatics and Logic》1997,25(2):311-320
We present a randomized parallel algorithm with polylogarithmic expected running time for finding a maximal independent set in a linear hypergraph. 相似文献
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Edyta Piskorska Krystyna Lawniczak-Jablonska Iraida N. Demchenko Ewa Benko Markku Heinonen 《Mikrochimica acta》2004,145(1-4):159-163
X-ray photoelectron spectroscopy (XPS) is used to estimate phase and element contents of the composites based on cubic boron nitride. A composite is a mixture of several compounds and the use of traditional X-ray diffraction for phase analysis in many cases can be difficult. By using XPS, we were able to evaluate the atomic concentration of elements and the content of different compounds of each element. SEM and XPS showed that samples are heterogeneous. The TiB2 phase, expecting from thermodynamic calculations, was formed in both investigated samples of cBN/Ti3SiC2/TiC but in different amount. The Ti3SiC2 additive was found more chemically active then TiC. 相似文献
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ukasz Kucharski Krystyna Cybulska Edyta Kucharska Anna Nowak Robert Peech Adam Klimowicz 《Molecules (Basel, Switzerland)》2022,27(17)
The plants of the genus Rubus (R.) are applied as antiseptic agents in the treatment of skin diseases. Despite the great interest in plants of this genus, there are few reports on the antioxidant and biological activities of preparations obtained from the leaves of these plants. Therefore, we decided to evaluate the antioxidant activity of preparations from leaves of wild plant species of the genus Rubus using the frequently applied DPPH, ABTS, and FRAP methods, as well as to determine the total polyphenol content using the Folin–Ciocalteau method and perform qualitative evaluation by gas chromatography–mass spectrometry (GC-MS). The bactericidal and fungicidal activities of the obtained preparations were evaluated by applying laboratory tests: using the disc and the well methods based on the standards EN 13697:2019, EN 13697:2015, and EN 1500:2013. Microbiological tests of the plant preparations against bacteria, fungi, and yeasts isolated from the environment and against reference strains were performed. Moreover, antimicrobial testing of antibiotics against the tested strains was performed for comparison. The n-octanol/water partition coefficient of the obtained preparations was determined by the shake-flask method to determine their lipophilicity. According to the results, a high content of polyphenols and other antioxidant and biologically active compounds can be thought of as the parameter responsible for the effective activity of plant preparations obtained from wild plant species of the genus Rubus. The methods for determining bactericidal and fungicidal activity clearly demonstrates that preparations with reduced ethanol content exhibit bactericidal and fungicidal activity on surfaces. Testing of hand disinfection by means of rubbing with the preparations confirmed their antimicrobial activity against Escherichia coli K12 NCTC 10538. The obtained results show that the tested preparations exhibit on average two times lower activity against the reference bacterial strains than comparable antibiotics. The preparations obtained from the leaves of R. idaeus L. and R. fruticosus L. could complement classical antibiotics. While environmental bacteria showed a similar response to the preparations and antibiotics, their sensitivity was about one-third less than that of the reference strains. Our studies have shown that the obtained preparations are highly hydrophilic (logP < 0). Thus, these preparations can only be used in lipid bilayers in the aqueous core of liposomes, not in the lipid envelope. 相似文献
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Traian Zaharescu Virgil Marinescu Edyta Hebda Krzysztof Pielichowski 《Journal of Thermal Analysis and Calorimetry》2018,131(1):49-55
Through temperature-programmed pyrolysis, the physicochemical properties of Pteria martensii (PM) before and after calcination are investigated. Our results show that the mass loss is 11.02% from room temperature to 600 °C with an average mass loss rate of 0.19% per min. The decomposition of organics coupling with the phase transition of calcium carbonate from aragonite to calcite occurs in the range of 367.4–423.0 °C, as confirmed by X-ray diffraction and Fourier transform infrared spectroscopy analyses. The decomposition pores and channels are changed forming complex porous structures. The surface of sample shows a much rougher fracture, with higher C, O and N element concentrations. At the stage of decomposition and phase transition of organics, the average activation energy value is 118.78 kJ mol?1. This study provides valuable information on the calcination process and calcined PM for use in medicines. 相似文献
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Marganiec-Gałązka Justyna Ziemek Tomasz Broda Ryszard Cacko Daniel Czudek Marek Jęczmieniowski Adam Kołakowska Ewa Lech Edyta Listkowska Anna Saganowski Paweł Tymiński Zbigniew 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(8):3283-3288
Journal of Radioanalytical and Nuclear Chemistry - The activity concentration of a 177Lu solution was measured by the Laboratory of Radioactivity Standards in the Radioisotope Centre POLATOM. The... 相似文献
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Ziemek Tomasz Lech Edyta Tymiński Zbigniew 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(8):3327-3333
Journal of Radioanalytical and Nuclear Chemistry - This paper presents the standardization of 90Y solution using the Cherenkov method measuring in the TDCR counters. The counting efficiencies for... 相似文献
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Edyta Małolepsza Birgit Strodel Mey Khalili Semen Trygubenko Szilard N. Fejer David J. Wales 《Journal of computational chemistry》2010,31(7):1402-1409
The AMBER and CHARMM force fields are analyzed from the viewpoint of the permutational symmetry of the potential for feasible exchanges of identical atoms and chemical groups in amino and nucleic acids. In each case, we propose schemes for symmetrizing the potentials, which greatly facilitate the bookkeeping associated with constructing kinetic transition networks via geometry optimization. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010 相似文献