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排序方式: 共有376条查询结果,搜索用时 62 毫秒
41.
Nadezhda V. Vasilieva Irina G. Irtegova Nina P. Gritsan Anton V. Lonchakov Alexander Yu. Makarov Leonid A. Shundrin Andrey V. Zibarev 《Journal of Physical Organic Chemistry》2010,23(6):536-543
In comparison with 2,1,3‐benzothia(selena)diazoles, electrochemical oxidation and reduction of their 4,5,6,7‐tetrafluoro derivatives and a number of related compounds were studied by cyclic voltammetry. For nine examples of this class, the first reduction peaks are reversible and corresponding radical anions (RAs) are long‐lived at 295 K in MeCN and especially in DMF. The oxidation peaks were irreversible and corresponding radical cations were not observed. Electrochemically generated RAs were characterized by EPR measurements and DFT calculations at the UB3LYP/6‐31+G(d) level. The spin density distribution in the RAs is analyzed in connection with effects of S substitution by Se and/or H by F. The prospects of the studied RAs in the design and synthesis of magnetically active materials are discussed. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
42.
Ignat'eva DV Goryunkov AA Tamm NB Ioffe IN Avdoshenko SM Sidorov LN Dimitrov A Kemnitz E Troyanov SI 《Chemical communications (Cambridge, England)》2006,(16):1778-1780
Two isomers of C70(CF3)12 have been isolated from a mixture obtained by trifluoromethylation of C70 with CF3I; their molecular structures determined by X-ray crystallography are in good agreement with the results of theoretical DFT calculations for the most stable C70(CF3)12 isomers. 相似文献
43.
Maxim V. Shugaev Nadezhda M. Bulgakova 《Applied Physics A: Materials Science & Processing》2010,98(1):103-109
On the basis of a two-temperature model taking into account the laser-generated stress waves, we have performed an analysis
of heating and melting dynamics in different metallic films (Au, Zn, Cr) irradiated by femtosecond laser pulses for the experimental
conditions on laser-induced forward transfer. The modeling results have allowed puzzling out why, even within the same family
of materials, substances can be transferred in the different phase states under rather similar laser-irradiation conditions. 相似文献
44.
Olga A. Bulgakova Nadezhda M. Bulgakova Vladimir P. Zhukov 《Applied Physics A: Materials Science & Processing》2010,101(1):53-59
We report a model of nanosecond laser ablation of compound semiconductors taking into account stoichiometry loss as a result
of different volatilities of the material components. The model is based on the heat-flow equation for the bulk material and
the diffusion equation for its atomic constituents and takes into account variations of material properties as functions of
temperature and composition. Changing the optical response which results from stoichiometry violation is described within
the concept of an effective medium and a multi-layer reflection model is applied. For cadmium telluride, as an example, the
processes of ablation, melting, and resolidification under the action of a KrF laser have been studied in dynamics for particular
experimental conditions in a wide range of laser fluences from the ablation threshold to the plasma shielding regimes described
by the effective plasma plume representation. Multi-shot irradiation regimes have been investigated and the mechanism of the
irradiation-controlled stoichiometry reversal has been elucidated. 相似文献
45.
Nikita A. Kazin Nadezhda S. Demina Roman A. Irgashev Ekaterina F. Zhilina Gennady L. Rusinov 《Tetrahedron》2019,75(33):4686-4696
The effective approaches for regioselective double formylation and acetylation of 5,12-dialkyl-6,7-diaryl-substituted 5,12-dihydroindolo[3,2-a]carbazoles by their treatment with dichloromethyl methyl ether in the presence of SnCl4 or with acetyl chloride in the presence of AlCl3 to afford the 2,9-diformyl or 2,9-diacetyl derivatives, respectively, were developed. Furthermore, new 2,9-bis(2,2-dicyanovinyl) derivatives were synthesized by the Knoevenagel condensation of diformyl-containing substrates with malononitrile, when new 2,9-bis(quinoxaline-2-yl)- and 2,9-bis(benzo[g]quinoxaline-2-yl) derivatives were formed via microwave-promoted oxidation of diacetyl-containing substrates with SeO2 to the corresponding diglyoxals, followed by the reaction of these intermediates with o-phenylendiamine or 2,3-diaminonaphthalene, respectively. The basic optical and electrochemical properties of some 5,12-dihydroindolo[3,2-a]carbazoles were investigated. 相似文献
46.
Chechina Nataliia V. Kolos Nadezhda N. Omelchenko Irina V. 《Chemistry of Heterocyclic Compounds》2019,55(12):1190-1196
Chemistry of Heterocyclic Compounds - A series of novel fused pyrrole derivatives was synthesized by one-pot three-component reaction of β-enaminoketones, derived from cyclohexane-1,3-dione or... 相似文献
47.
Timur M. Galiullin Nadezhda V. Pokhvishcheva Andrey V. Kalinichev Maria A. Peshkova 《Electroanalysis》2019,31(9):1708-1718
In this paper we report on the novel polymeric membranes for the liquid junction‐free reference electrodes. The membranes contain the ionic liquids (ILs) based on the amino acid anions, namely valine‐, leucine‐, lysine‐ and histidine‐anions, and 1‐butyl‐3‐methylimidazolium cation. Addition of the ILs, and especially of the valine‐based one, to the polymeric plasticized membranes allows significant stabilization of the electrode potential and makes it insensitive to the solution composition. A simple criterion based on the calculated lipophilicities of the cation and anion of the IL is proposed for a priori estimation of its applicability for potential stabilization. The addition of the IL as a microcomponent is found to be advantageous over plasticizing the membrane with the IL due to better potential stability, higher dissociation degree and mobility of the species. The resistance of the novel reference membranes can be tuned by addition of the lipophilic membrane electrolytes, e. g. ETH500. The applicability of the developed reference electrodes is verified in the potentiometric calibration of the indicator K+‐ and Ca2+‐selective electrodes. Implementation of the amino acid‐based ionic liquids with low environmental toxicity can make a significant contribution to the development of nature‐friendly potentiometry. 相似文献
48.
Georgia Ivanova Nadezhda Bozova Nikolay Petkov Dr. Cunbin An Dr. Benlin Hu Monika Mutovska Konstantin Konstantinov Dr. Yulian Zagranyarski Dr. Vladimira Videva Adelina Yordanova Prof. Martin Baumgarten Prof. Anela Ivanova 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(16):e202104411
Computational modeling of the optical characteristics of organic molecules with potential for thermally activated delayed fluorescence (TADF) may assist markedly the development of more efficient emitting materials for organic light-emitting diodes. Recent theoretical studies in this area employ mostly methods from density functional theory (DFT). In order to obtain accurate predictions within this approach, the choice of a proper functional is crucial. In the current study, we focus on testing the performance of a set of DFT functionals for estimation of the excitation and emission energy and the excited singlet-triplet energy gap of three newly synthesized compounds with capacity for TADF. The emitters are designed specifically to enable charge transfer by π-electron conjugation, at the same time possessing high-energy excited triplet states. The functionals chosen for testing are from various groups ranging from gradient-corrected through global hybrids to range-separated ones. The results show that the monitored optical properties are especially sensitive to how the long-range part of the exchange energy is treated within the functional. The accurate functional should also be able to provide well balanced distribution of the π-electrons among the molecular fragments. Global hybrids with moderate (less than 0.4) share of exact exchange (B3LYP, PBE0) and the meta-GGA HSE06 are outlined as the best performing methods for the systems under study. They can predict all important optical parameters correctly, both qualitatively and quantitatively. 相似文献
49.
Edward A. Karakhanov Anton L. Maximov Anna V. Zolotukhina Nadezhda Yatmanova Edward Rosenberg 《应用有机金属化学》2015,29(11):777-784
A series of Pd–Ag mixed‐metal nanocatalysts were prepared by reduction of Pd–Ag salts in the presence of poly(propylene imine) dendrimers, which were covalently bound to the surface of a silica polyamine composite, BP‐1 (polyallylamine covalently bound to a silanized amorphous silica gel). Three different Pd‐to‐Ag ratios were evaluated (50:50, catalyst 1 ; 40:60, catalyst 2 ; 60:40, catalyst 3 ) with the goal of determining how the amount of Ag effects selectivity, rate and conversion in the selective reduction of alkynes, such as phenylacetylene and 1‐ or 4‐octyne, to the corresponding alkenes. Conditions for the catalysis are reported where there is improved selectivity without a serious reduction in rate when compared with the analogous Pd‐only catalysts. Catalyst 2 worked best for phenylacetylene and catalyst 3 worked best for the octynes. The catalysts could be reused seven times without loss of activity. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
50.
Tatyana Kovshova Nadezhda Osipova Anna Alekseeva Julia Malinovskaya Alexey Belov Andrey Budko Galina Pavlova Olga Maksimenko Shakti Nagpal Svenja Braner Harshvardhan Modh Vadim Balabanyan Matthias G. Wacker Svetlana Gelperina 《Molecules (Basel, Switzerland)》2021,26(4)
Targeted delivery of doxorubicin still poses a challenge with regards to the quantities reaching the target site as well as the specificity of the uptake. In the present approach, two colloidal nanocarrier systems, NanoCore-6.4 and NanoCore-7.4, loaded with doxorubicin and characterized by different drug release behaviors were evaluated in vitro and in vivo. The nanoparticles utilize a specific surface design to modulate the lipid corona by attracting blood-borne apolipoproteins involved in the endogenous transport of chylomicrons across the blood–brain barrier. When applying this strategy, the fine balance between drug release and carrier accumulation is responsible for targeted delivery. Drug release experiments in an aqueous medium resulted in a difference in drug release of approximately 20%, while a 10% difference was found in human serum. This difference affected the partitioning of doxorubicin in human blood and was reflected by the outcome of the pharmacokinetic study in rats. For the fast-releasing formulation NanoCore-6.4, the AUC0→1h was significantly lower (2999.1 ng × h/mL) than the one of NanoCore-7.4 (3589.5 ng × h/mL). A compartmental analysis using the physiologically-based nanocarrier biopharmaceutics model indicated a significant difference in the release behavior and targeting capability. A fraction of approximately 7.310–7.615% of NanoCore-7.4 was available for drug targeting, while for NanoCore-6.4 only 5.740–6.057% of the injected doxorubicin was accumulated. Although the targeting capabilities indicate bioequivalent behavior, they provide evidence for the quality-by-design approach followed in formulation development. 相似文献