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The radical anion resulting from electron capture by diacetonyl molecule has been characterized by EPR and optical absorption spectroscopy in glassy ether matrices at 77 K. In non-polar alkane glasses this species was not observed under the same conditions, which confirms the crucial role of matrix interactions in stabilizing this species. Calculations at the MP2 level show the vertical detachment energy to increase gradually from roughly zero for a bare anion to ~1 eV for the complex involving six ether molecules. 相似文献
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Elizaveta Gordeliy Emmanuel Detournay 《International Journal of Solids and Structures》2011,48(19):2614-2629
This paper describes a displacement discontinuity method for modeling axisymmetric cracks in an elastic half-space or full space. The formulation is based on hypersingular integral equations that relate displacement jumps and tractions along the crack. The integral kernels, which represent stress influence functions for ring dislocation dipoles, are derived from available axisymmetric dislocation solutions. The crack is discretized into constant-strength displacement discontinuity elements, where each element represents a slice of a cone. The influence integrals are evaluated using a combination of numerical integration and a recursive procedure that allows for explicit integration of hyper- and Cauchy singularities. The accuracy of the solution at the crack tip is ensured by adding corrective stresses across the tip element. The method is validated by a comparison with analytical and numerical reference solutions. 相似文献
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Alexandr Zalessky Yuriy Fedotov Elizaveta Yashkina Viktor Nadtochenko Andreyan N. Osipov 《Molecules (Basel, Switzerland)》2021,26(13)
To assess the prospects for using intense femtosecond laser radiation in biomedicine, it is necessary to understand the mechanisms of its action on biological macromolecules, especially on the informational macromolecule—DNA. The aim of this work was to study the immunocytochemical localization of DNA repair protein foci (XRCC1 and γH2AX) induced by tightly focused femtosecond laser radiation in human cancer A549 cells. The results showed that no XRCC1 or γH2AX foci tracks were observed 30 min after cell irradiation with femtosecond pulses of 1011 W∙cm−2 peak power density. An increase in the pulse power density to 2 × 1011 W∙cm−2 led to the formation of linear tracks consisting both of XRCC1 and γH2AX protein foci localized in the places where the laser beam passed through the cell nuclei. A further increase in the pulse power density to 4 × 1011 W∙cm−2 led to the appearance of nuclei with total immunocytochemical staining for XRCC1 and γH2AX on the path of the laser beam. Thus, femtosecond laser radiation can be considered as a tool for local ionization of biological material, and this ionization will lead to similar effects obtained using ionizing radiation. 相似文献
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Eugene Sivtsov Elena Chernikova Alexey Gostev Elizaveta Garina 《Macromolecular Symposia》2010,296(1):112-120
Summary : Copolymerization of N-vinyl succinimide and n-butyl acrylate in the presence of dibenzyl trithiocarbonate as a reversible addition-fragmentation chain transfer agent was investigated. The linear dependence of molecular mass on conversion and low values of polydispersity index confirmed pseudo-living mechanism of the process. For the first time the soluble copolymers of N-vinyl succinimide and n-butyl acrylate with high composition homogeneity have been synthesized by copolymerization in bulk. The copolymerization kinetics was studied by NMR 1H spectroscopy; the reactivity ratios were determined: rVSI = 0.11, rBA = 2.54. The copolymer microstructure was estimated; it was shown that in conditions of RAFT polymerization gradient copolymers enriched with BA on the tails of the macromolecule and with VSI in the middle can be obtained. The method of elimination of trithiocarbonate fragment by the reaction with an excess of AIBN was proposed leading to formation of the simplest gradient structure of N-vinyl succinimide – n-butyl acrylate copolymer. 相似文献
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Alina Ponomareva Valeri Babushok Elizaveta Simonenko Nikolai Simonenko Vladimir Sevast’janov Olga Shilova Irina Kruchinina 《Journal of Sol-Gel Science and Technology》2018,87(1):74-82
Powders of Sm0.6Sr0.4CoO3-δ and La0.6Sr0.4CoO3-δ were synthesized using wet chemical technique. Structural and surface properties of synthesized materials were studied by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD), IR spectroscopy, and scanning electron microscopy (SEM). The influence of pH on the phase state, chemical composition, morphology, and fractal dimension of the synthesized powders were investigated. It was found that the change of pH has the influence on phase composition of synthesized powders. The increase of solution pH allows one to obtain homogeneous samples at lower temperatures down to 900–950?°C. 相似文献
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A Redox‐Active Bridging Ligand to Promote Spin Delocalization,High‐Spin Complexes,and Magnetic Multi‐Switchability 下载免费PDF全文
Xiaozhou Ma Dr. Elizaveta A. Suturina Dr. Siddhartha De Dr. Philippe Négrier Mathieu Rouzières Dr. Rodolphe Clérac Dr. Pierre Dechambenoit 《Angewandte Chemie (International ed. in English)》2018,57(26):7841-7845
A dinuclear CoII complex, [Co2(tphz)(tpy)2]n+ (n=4, 3 or 2; tphz: tetrapyridophenazine; tpy: terpyridine), has been assembled using the redox‐active and strongly complexing tphz bridging ligand. The magnetic properties of this complex can be tuned from spin‐crossover with T1/2≈470 K for the pristine compound (n=4) to single‐molecule magnet with an ST=5/2 spin ground state when once reduced (n=3) to finally a diamagnetic species when twice reduced (n=2). The two successive and reversible reductions are concomitant with an increase of the spin delocalization within the complex, promoting remarkably large magnetic exchange couplings and high‐spin species even at room temperature. 相似文献
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Anna G. Scott Diogo Alves Galico Isabel Bogacz Paul H. Oyala Junko Yano Elizaveta A. Suturina Muralee Murugesu Theodor Agapie 《Angewandte Chemie (International ed. in English)》2023,62(49):e202313880
Atomically defined large metal clusters have applications in new reaction development and preparation of materials with tailored properties. Expanding the synthetic toolbox for reactive high nuclearity metal complexes, we report a new class of Fe clusters, Tp*4W4Fe13S12 , displaying a Fe13 core with M−M bonds that has precedent only in main group and late metal chemistry. M13 clusters with closed shell electron configurations can show significant stability and have been classified as superatoms. In contrast, Tp*4W4Fe13S12 displays a large spin ground state of S=13. This compound performs small molecule activations involving the transfer of up to 12 electrons resulting in significant cluster rearrangements. 相似文献