Redox potentials of isomeric ethyl 5-ferrocenyl-1
H
-pyrazole-3-carboxylates
2
and ethyl 5-ferrocenyl-1
H
-pyrazole-4-carboxylates
4
were measured and their dependences on the acidity of the medium ...were determined. The structures of various conformers of neutral molecules and corresponding radical cations were calculated by the B3LYP/6-31G* method. The results of calculations for neutral molecules were confirmed by X-ray data.
(ProQuest: ... denotes formulae and/or non-USASCII text omitted; see image).A combination is presented of all inclusive deep inelastic cross sections previously published by the H1 and ZEUS ...collaborations at HERA for neutral and charged current ... scattering for zero beam polarisation. The data were taken at proton beam energies of 920, 820, 575 and 460 GeV and an electron beam energy of 27.5 GeV. The data correspond to an integrated luminosity of about 1 fb... and span six orders of magnitude in negative four-momentum-transfer squared, ..., and Bjorken x. The correlations of the systematic uncertainties were evaluated and taken into account for the combination. The combined cross sections were input to QCD analyses at leading order, next-to-leading order and at next-to-next-to-leading order, providing a new set of parton distribution functions, called HERAPDF2.0. In addition to the experimental uncertainties, model and parameterisation uncertainties were assessed for these parton distribution functions. Variants of HERAPDF2.0 with an alternative gluon parameterisation, HERAPDF2.0AG, and using fixed-flavour-number schemes, HERAPDF2.0FF, are presented. The analysis was extended by including HERA data on charm and jet production, resulting in the variant HERAPDF2.0Jets. The inclusion of jet-production cross sections made a simultaneous determination of these parton distributions and the strong coupling constant possible, resulting in ... An extraction of ... and results on electroweak unification and scaling violations are also presented.
Ligand 3-methyl-1-phenyl-4-stearoylpyrazol-5-one (HQ) is synthesized and used to obtain new complexes of rare-earth metals (Eu, Gd, and Tb) of the composition Ln(Q)
3
(H
2
O)(EtOH). The crystal ...structure of the terbium complex is determined by X-ray diffraction analysis (CIF file CCDC 975286). In a molecule of the complex, three aliphatic fragments
n
-C
17
H
35
are codirected, which results in the formation of layers bound according to the fastener-sticker principle. The molecules of the complex are joined by a hydrogen bond network involving the pyrazolone rings and oxygen atoms of the inner-sphere solvent molecules (H
2
O and EtOH). The terbium complex is luminescent at room temperature, whereas the luminescence of the europium complex is very weak at room temperature and increases by 60 times at lowered temperatures. This makes it possible to consider these compounds as a new class of “luminescent thermometers.”
Numerical simulation of the formation of a chemoattractant gradient in reaction chambers of a chip having different geometries enabled the determination of a structure suitable for the study of cell ...migration, in accordance with which hybrid polymer–glass microfluidic devices were manufactured. Verification of the procedures of alignment of cells in the reaction chamber of the chip by centrifugal force and subsequent culturing of the cells showed that microfluidic chips can be used to study cell migration under the effect of the chemoattractant gradient in vitro.
Research building B at the Bochvar High-Technology Research Institute for Inorganic Materials (VNIINM) located within the city limits of a dense residential development was decommissioned in ...2013–2015. Radioactively contaminated equipment and utility services were disassembled and removed, building structures were decontaminated, the framework was dismantled, the grounds of the development site were restored, and radioactive waste was transferred to specialized organizations. The framework was liquidated in strict accord with the norms and regulations governing the use of atomic energy.
The condensation of 1-(ferrocenylalkyl)pyrazole-3-carbaldehydes with 4′-aminotetraphenylporphyrin, followed by reduction with NaBH(OAc)
3
in 1,2-dichloroethane, provides a convenient method for the ...synthesis of 5-{4-({1-1-(ferrocen-1-yl)alkyl-5-methyl-1
H
-pyrazol-3-yl}methyl)aminophenyl}-10,15,20-triphenylporphyrins which exhibit pronounced cytotoxicity against
Staphylococcus aureus
under ultrasonic irradiation.
We have studied the behavior of ferrocene CpFeCp (FcH), ferrocenium triiodide FcH
+
I
3
−
, dimethylaminomethylferrocene FcCH
2
NMe
2
and its trimethylammonium salt FcCH
2
NMe
3
+
I
−
under the ...conventional conditions of electrospray ionization (ESI), when the substance solution is subjected to spraying, and in two versions of desorption electrospray ionization (DESI), when the sprayed solvent bombards the surface of solid or liquid samples. In addition to these techniques, the behavior of neutral compounds under conditions of electrospray ionization of vapors of the studied compounds in a gas phase (ESI_V) has been investigated. It has been shown using the examples of ferrocene and its dimethylaminomethyl derivative that the detection limits for these compounds occurring in a gas phase are comparable within an order of magnitude with their detection limits under the ESI and DESI conditions of solid and liquid samples. The high effectiveness of ionization of analyte vapors makes it possible to use the ESI method not only in combination with liquid (conventional ESI technology) and thin layer chromatography (DESI), but also with gas liquid chromatography (ESI_V). Thus, the electrospray ionization becomes a universal method allowing studies of a compound under the natural conditions in any state of aggregation, that is, solid, liquid, and gas. With the help of statistical methods for designing experiments (complete factorial experiment), quantitative evaluation of the influence of experimental parameters on the ion-formation processes under different ESI conditions has been carried out, which makes it possible to purposefully select the optimal conditions to record the ESI mass spectra with a minimum number of experiments. Moreover, analysis of the dependences of the mass spectra on the experimental parameters can serve as an instrument for studying the details of the ion-formation mechanisms depending upon different ways of ionization.
Relevance. Real time hardware and software systems are operated in power system operation centers. In these systems the state estimation block is one of the key one, since in accordance with the ...regime parameters results, derived from this block, the more comprehensive parameters can be calculated. These parameters are reckoned for system stability and reliability. Today telemetry and synchronized phasor measurements are used for parameters estimation. Therefore, the state estimation methods development is a relevant task. Aim. Development and practical evaluation of the regime parameters estimation synthesized method for using in real time hardware and software systems. The synthesized method permits to improve estimation accuracy and decision quality of focal points coming from system stability and reliability stabilization. Methods. Proposed method is based on mathematical frameworks of Gauss–Newton method and extended Kalman filter when telemetry and synchronized phasor measurements arrays are simultaneously utilized. Results. The synthesized method of power systems regime parameters estimation at steady-state and post accident conditions is developed and evaluated. Conclusions. It is confirmed, that presented synthesized method increases accuracy of the voltage and active power flow estimation at steady-state and post accident regimes, thereby enabling the improved accuracy of maximum allowed active power flows and control action volumes in contrast to the standard state estimation method. Developed software provides an opportunity to implement this method into the state estimation block of real time hardware and software systems. The upcoming trends for state estimation methods development in the event of dynamic processes in power system areas are also formed.
Метод непосредственной модуляции с использованием комплексных сигналов применяется при реализации сигнальных трактов передатчиков в базовых станциях систем сотовой связи. В процессе модуляции ...возникают рассогласования коэффициента усиления и фазы квадратурных составляющих сигнала. Рассогласование ухудшает модуль вектора ошибки (Error Vector Magnitude, EVM) в приемнике, что, в свою очередь, приводит к повышению частоты появления ошибочных битов (Bit Error Rate, BER). Качество принимаемого сигнала выражается в частоте появления битовых ошибок. Рассогласование амплитуды и фазы квадратурных составляющих является одним из важнейших факторов, вносящих наибольший вклад в амплитуду вектора ошибки, который необходимо исследовать.В статье приведено исследование влияния рассогласования квадратурных составляющих сигналов технологий OFDM (Orthogonal frequency-division multiplexing) и UFMC (universal filtered multi-carrier). Разработана модель передатчика, канала связи и приемника для сигналов OFDM и UFMC. Модель построена в программной среде MatLab при помощи языка MatLab и представляет собой программную модель m-script.В ходе работы путем исследования имитационной модели изучена зависимость помехоустойчивости технологий путем изменения параметров канала связи, таких как амплитудное и фазовое рассогласование квадратурных составляющих сигнала, а также отношение сигнал/шум. Проведен сравнительный анализ таких параметров сигналов, как занимаемая полоса частот, пик-фактор, частота появления битов с ошибкой. По результатам исследования получены графики зависимости вероятности ошибки и пик-фактора сигнала от рассогласования квадратурных составляющих для двух технологий – OFDM и UFMC. Проведенное исследование позволяет выделить преимущества технологии UFMC, которые выражаются в спектральной эффективности, помехоустойчивости и уровне пик-фактора сигнала.
Under the conditions of electrospray ionization of ferrocenylalkyl azoles FcCH(R)X the processes of oxidation, protonation, fragmentation and ferrocenylalkylation. Using special experimental ...techniques and quantum-chemical calculations it was found that all these ions are formed through the protonation stage, which is taking place mainly in a gas phase.
Under the conditions of electrospray ionization of ferrocenylalkyl azoles FcCH(R)X (Fc–η
5-C
5H
5Fe-η
5-C
5H
4, R – H, Me, XH – 2-methyl imidazole, pirazole) the processes of oxidation, protonation, fragmentation and ferrocenylalkylation to form, molecular ions М
+, protonated molecules М+Н
+, ferrocenylalkyl cations FсCHR
+ and bisferrocenylalkyl azole cations (FcCHR)2X
+, respectively, take place. Using special experimental techniques (deuterated solvents, saturation of ionic source of an ESI mass-spectrometer by the vapors of solvents, the experiments under the “inverse” ESI conditions when the solvent is subjected to electrospray in the presence of ferrocenylalkyl derivative vapours) and quantum-chemical calculations at the level of the B3LYP/LanL2DZ theory the scheme of the formation of these ions in a gas phase according to the mechanism of “activating protonation” was suggested. it was found that all these ions are formed through the protonation stage, which is taking place mainly in a gas phase. The key stage is the exothermic process of the protonation of the initial compounds by hydroxonium ions giving rise to protonated M+H
+ molecules which further oxidize and alkylate ferrocenylalkylazoles to form molecular radical cations and bisferrocenylalkyl azole ions FcCH(Me)-X-CH(Me)Fc
+. The decomposition of protonated ions with the elimination of the azole molecule gives rise to ferrocenylalkyl cations FсCHR
+ capable in turn of oxidizing and alkylating the initial compounds.
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