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排序方式: 共有681条查询结果,搜索用时 31 毫秒
91.
Steven J. Visco Vitaliy Y. Nimon Alexei Petrov Kirill Pridatko Nikolay Goncharenko Eugene Nimon Lutgard De Jonghe Yury M. Volfkovich Daniil A. Bograchev 《Journal of Solid State Electrochemistry》2014,18(5):1443-1456
The extremely high theoretical energy density of the lithium-oxygen couple makes it very attractive for next-generation battery development. However, there are a number of challenging technical hurdles that must be addressed for Li-Air batteries to become a commercial reality. In this article, we demonstrate how the invention of water-stable, solid electrolyte-protected lithium electrodes solves many of these issues and paves the way for the development of aqueous and nonaqueous Li-Air batteries with unprecedented energy densities. We also show data for fully packaged Li-Air cells that achieve more than 800 Wh/kg. 相似文献
92.
Denis D. Borisov Grigory R. Chermashentsev Roman A. Novikov Yury V. Tomilov 《Tetrahedron letters》2019,60(10):746-750
New “four-component” self-assembly of polyaromatic thiophene structures based on styrylmalonates and 5-phenylthiophene-2-carbaldehyde has been developed. This process is promoted by GaCl3 and involves two [2?+?3]-annulation steps on the CHO-groups and para-substitution into one Ph-ring. The main feature of discovered process is a high diastereoselectivity with a significant increase in molecular complexity. The resulting polyaromatic structures containing two thiophene moieties in each structure have intense color and strong absorption in a near UV spectral region with absorption maxima in the range of 257–360?nm. 相似文献
93.
94.
Dmitry Gromov Alexey Sherchenkov Egor Lebedev Alexey Babich Svetlana Nemtseva Yury Shaman Tomasz Maniecki Waldemar Maniukiewicz Pawel Mierczynski Radoslaw Ciesielski Sergey Gavrilov 《Journal of Thermal Analysis and Calorimetry》2018,134(1):35-44
The paper deals with the effect of the compression conditions on the propagation front velocity of exothermal reaction and the specific heat release in Al–Ni powder reactive materials with mean particle sizes of 70–110 nm. It was shown that the velocity increases from 2.7 to 8 cm s?1 and comes to saturation with the lowering of the porosity (η) from 0.91 to 0.34, while the dependence of the specific heat release has its maximum for η?=?0.5. The results of the X-ray diffraction analysis obtained in situ during the sample heating suggest that the sequence of phase transformations in the system does not depend on the porosity. In all cases, first in the temperature range of ~?500–540 °C the NiAl compound is formed. With the further heating up to ~?640 °C, the Ni3Al, Ni2Al3 and NiAl3 compounds are additionally formed. The calculation of kinetic parameters was performed using the obtained curves of the differential scanning calorimetry: activation energy, pre-exponential factor and reaction model. The comparison of the calculated results and the scanning electron microscopy data has shown that such behavior of the Al–Ni system with the porosity lowering occurs due to the growth of the transformation degree and is associated with the presence in the final powder mixture of mutually non-contacting Al and Ni agglomerates with the dimensions of over 10 μm. 相似文献
95.
96.
High-resolution mass spectrometric analysis of secondary organic aerosol produced by ozonation of limonene 总被引:1,自引:0,他引:1
Walser ML Desyaterik Y Laskin J Laskin A Nizkorodov SA 《Physical chemistry chemical physics : PCCP》2008,10(7):1009-1022
Chemical composition of secondary organic aerosol (SOA) formed from the ozone-initiated oxidation of limonene is characterized by high-resolution electrospray ionization mass spectrometry in both positive and negative ion modes. The mass spectra reveal a large number of both monomeric (m/z < 300) and oligomeric (m/z > 300) condensed products of oxidation. A combination of high resolving power (m/Deltam approximately 60,000) and Kendrick mass defect analysis makes it possible to unambiguously determine the molecular composition of hundreds of individual compounds in SOA samples. Van Krevelen analysis shows that the SOA compounds are heavily oxidized, with average O : C ratios of 0.43 and 0.50 determined from the positive and negative ion mode spectra, respectively. A possible reaction mechanism for the formation of the first generation SOA molecular components is considered. The discussed mechanism includes known isomerization and addition reactions of the carbonyl oxide intermediates generated during the ozonation of limonene. In addition, it includes isomerization and decomposition pathways for alkoxy radicals resulting from unimolecular decomposition of carbonyl oxides that have been disregarded by previous studies. The isomerization reactions yield numerous products with a progressively increasing number of alcohol and carbonyl groups, whereas C-C bond scission reactions in alkoxy radicals shorten the carbon chain. Together these reactions yield a large number of isomeric products with broadly distributed masses. A qualitative agreement is found between the number and degree of oxidation of the predicted and measured reaction products in the monomer product range. 相似文献
97.
A fast and accurate method to compute the total solvation free energies of proteins as a function of pH is presented. The method makes use of a combination of approaches, some of which have already appeared in the literature; (i) the Poisson equation is solved with an optimized fast adaptive multigrid boundary element (FAMBE) method; (ii) the electrostatic free energies of the ionizable sites are calculated for their neutral and charged states by using a detailed model of atomic charges; (iii) a set of optimal atomic radii is used to define a precise dielectric surface interface; (iv) a multilevel adaptive tessellation of this dielectric surface interface is achieved by using multisized boundary elements; and (v) 1:1 salt effects are included. The equilibrium proton binding/release is calculated with the Tanford-Schellman integral if the proteins contain more than approximately 20-25 ionizable groups; for a smaller number of ionizable groups, the ionization partition function is calculated directly. The FAMBE method is tested as a function of pH (FAMBE-pH) with three proteins, namely, bovine pancreatic trypsin inhibitor (BPTI), hen egg white lysozyme (HEWL), and bovine pancreatic ribonuclease A (RNaseA). The results are (a) the FAMBE-pH method reproduces the observed pK a's of the ionizable groups of these proteins within an average absolute value of 0.4 p K units and a maximum error of 1.2 p K units and (b) comparison of the calculated total pH-dependent solvation free energy for BPTI, between the exact calculation of the ionization partition function and the Tanford-Schellman integral method, shows agreement within 1.2 kcal/mol. These results indicate that calculation of total solvation free energies with the FAMBE-pH method can provide an accurate prediction of protein conformational stability at a given fixed pH and, if coupled with molecular mechanics or molecular dynamics methods, can also be used for more realistic studies of protein folding, unfolding, and dynamics, as a function of pH. 相似文献
98.
Andrey I. Poddel’sky Nikolay V. Somov Yury A. Kurskii Vladimir K. Cherkasov Gleb A. Abakumov 《Journal of organometallic chemistry》2008,693(21-22):3451-3455
The oxidative addition reaction of 4,6-di-tert-butyl-N-(2-hydroxy-3,5-di-tert-butyl-phenyl)-o-iminobenzoquinone (IBQ) to triphenylantimony(III) proceeds with the migration of hydroxyl-proton to a nitrogen atom to form tridentate O,N,O′-coordinated bis-(3,5-di-tert-butyl-phenolate-2-yl)-amine ligand. In accordance with 1H, 13C, DEPT NMR data, the new hexacoordinate complex [bis-(3,5-di-tert-butyl-phenolate-2-yl)-amine]triphenylantimony(V), [(AP-AP)H]SbPh3 (1) in solution has a Cs symmetry plane leading to the equivalence of two O,N-chelate o-aminophenolato moieties. The molecular structure of 1 · acetone was studied by a single-crystal X-ray. Compound 1 was found to be air-stable both in solid and in solution. Its oxidation by PbO2 leads to paramagnetic [4,6-di-tert-butyl-N-(3,5-di-tert-butyl-phenolate-2-yl)-o-iminobenzosemiquinolato]triphenylantimony(V), [(AP-ISQ)]SbPh3 (2). 相似文献
99.
A proof-of-principle study on the application of a top-down electrospray ionization Fourier transform ion cyclotron resonance mass spectrometric approach for characterization of the primary binding sites of the platinum anticancer agents cisplatin, transplatin, and oxaliplatin on ubiquitin is presented. Through employment of different fragmentation techniques, the binding sites of cisplatin and oxaliplatin were found at N-terminal methionine-containing ubiquitin fragments, while transplatin was observed to be attached to 19Pro-Ser-Asp-Thr-Ile-Glu24. The binding to proteins is of particular relevance for the mode of action of metallodrugs with regard to (de)activation, transport, excretion, etc. To the best of our knowledge, this is the first top-down mass spectrometric study on the protein binding site characterization of transition-metal anticancer agents and demonstrates the potential of the applied technique for investigating metal drug-protein interactions. 相似文献
100.
Victor V. Yashin Yaroslav V. Kudryavtsev Yury A. Kriksin Arkady D. Litmanovich 《Macromolecular Symposia》2004,210(1):31-40
The influence of energetic parameters of the interchain homo- and heterocontacts on a local ordering of Bernoullian copolymers has been studied using Monte Carlo simulations and probabilistic analysis. The results of both methods are in a good agreement. Then simple Monte Carlo procedure was employed to study the ordering in products of a polymeranalogous reaction with accelerating effect of neighboring groups. When the reaction with intra- and interchain acceleration and local ordering proceed simultaneously in confined conditions, the ordering might affect the process so that the formation of certain nano-structures (in particular, not trivial strip-like ones) is possible. 相似文献