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The NMR investigation of the electromagnetic irradiation effects on bacteria [Текст] / T. V. Drokina, V. V. Lisin, L. U. Popova [и др.] // Phys. Met. Metallogr. - Vol. 102, Suppl. 1. - S96-S97DOI 10.1134/S0031918X06140250. - Библиогр.: 4
Аннотация: The luminous marine bacteria (Photobacterium leiognathi, strain 54) are influenced by a nonthermal-intensity millimeter electromagnetic field, which was studied by nuclear magnetic resonance (NMR). It is shown that the proton spectrum of luminous bacteria depends on the electromagnetic irradiation effect (ν=42.2 GHz).

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Доп.точки доступа:
Drokina, T. V.; Дрокина, Тамара Васильевна; Lisin, V.V.; Popova, L.U.; Balandina, A. N.; Bitekhtina, M.A.
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Local and Average Structure of Relaxor Na1/2Bi1/2TiO3 From the Point of View of NMR / Yablonskaya Yu.E., Aleksandrova I.P., Sukhovsky A.A., Ivanov Yu.N., Vakhrushev S.B. // 9th Russai/CIS/Baltic/Japan symposium on ferroelectricity : abstracts book : June 15-19, 2008, Vilnius, Lithuania. - p. 156

Доп.точки доступа:
Yablonskaya, Yu. E.; Aleksandrova, I. P.; Александрова, Инга Петровна; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Ivanov, Yu. N.; Иванов, Юрий Николаевич; Vakhrushev, S. B.; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(9 ; 2008 ; May ; Vilnus, Lithuania)
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Heteronuclear µ-vinylidene complexes containing Re, Cu, Fe, Pt, Pd. Synthesis, structure, IR and NMR spectra [Text] / A. B. Antonova, O. S. Chudin [et al.] // Carbene Chemistry Conference The Ocean Maya. - P. 38

Доп.точки доступа:
Antonova, A.B.; Chudin, O.S.; Rubaylo, A.I.; Pavlenko, N.I.; Sokolenko, W.A.; Verpekin, V.V.; Vasiliev, A.D.; Semeikin, O.V.; Carbene Chemistry Conference The Ocean Maya(2009 ; FEB ; 18-21 ; Playa del Carmen , Mexico)
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    Soldatenko, A. S.
    N-silylmethyl-2-(1-naphthyl)acetamides: Synthesis, structure and computational screening / A. S. Soldatenko, M. S. Molokeev, N. F. Lazareva // Curr. Org. Chem. - 2024. - Vol. 28, Is. 12. - P. 959-966, DOI 10.2174/0113852728296495240409062733. - Cited References: 75. - This work was supported by the Russian Science Foundation using the analytical equipment of the Baikal Center for Collective Use of the SB RAS and the analytical equipment of the Krasnoyarsk Center for Collective Use of SB RAS. M.S. Molokeev’s work was carried out within the framework of the Strategic Academic Leadership Program "Priority-2030" for the Siberian Federal University . - ISSN 1385-2728. - ISSN 1875-5348
   Перевод заглавия: N-силилметил-2-(1-нафтил)ацетамиды: синтез, структура и вычислительный скрининг
Кл.слова (ненормированные):
N-organyl-2-(1-naphthyl)-N-(silylmethyl)acetamides -- NMR spectroscopy -- X-ray diffraction analysis -- computational screening -- PASS -- ADME
Аннотация: Synthesis of new hybrid organosilicon compounds based on the amides 1- naphthylacetic acid was described. N-Organyl-2-(1-naphthyl)-N-[(triethoxysilyl)methyl]- acetamides were obtained by the reaction of 1-naphthylacetyl chloride with α-silylamines RNHCH2Si(OEt)3 (R = Me, i-Pr and Ph). Their subsequent interaction with N(CH2CH2OH)3 led to the formation of N-organyl-2-(1-naphthyl)-N-(silatranylmethyl)acetamides. The structure of these hybrid compounds was characterized by 1H, 13C, and 29Si NMR spectroscopy. The structure of N-methyl- and N-isopropyl-2-(1-naphthyl)-N-(silatranylmethy)acetamides was confirmed by X-ray diffraction analysis. Results of computational screening showed that these silatranes are bioavailable and have drug-likeness.

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Держатели документа:
Siberian Division of the Russian Academy of Sciences, A.E. Favorsky Irkutsk Institute of Chemistry, 1 Favorsky Street, Irkutsk 664033, Russia
Laboratory of Crystal Physics, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk 660036, Russia
Institute of Engineering Physics and Radio Electronic, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lazareva, N. F.
}
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Zobov, V. E.
On the decoherence in large NMR quantum registers / V. E. Zobov, A. A. Lundin // Proceedings of the International Conference "Micro- and Nanoelectronics – 2023" : Book of abstracts. - 2023. - Ст. q2-06. - P. 83. - Cited References: 7

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS
Semenov Institute of Chemical Physics, Russian Academy of Science

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич; "Micro- and nanoelectronics – 2023", International Conference(2023 ; окт. ; 2-6 ; Москва / Звенигород, Россия)
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    Synthesis of six-membered Si-containing heterocycles based on acetoacetanilide / A. Soldatenko, I. Sterkhova, M. Molokeev [et al.] // J. Organomet. Chem. - 2023. - Vol. 997. - Ст. 122777, DOI 10.1016/j.jorganchem.2023.122777. - Cited References: 43 . - ISSN 0022-328X. - ISSN 1872-8561
   Перевод заглавия: Синтез шестичленных Si-содержащих гетероциклов на основе ацетоацетанилида
Кл.слова (ненормированные):
Acetoacetanilide -- Diorganyldichlorosilanes -- NMR -- Si-containing heterocycles -- X-ray
Аннотация: The interaction of acetoacetanilide with diorganyldichlorosilanes Me2SiCl2, MePhSiCl2 and Ph2SiCl2 led to the formation previously unknown polyfunctional six-membered Si-containing heterocycles. Their structure was characterized by NMR, IR and X-ray crystallography.

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Держатели документа:
A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Division of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics,Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Engineering Physics and Radioelectronic, Siberian Federal University, 660041 Krasnoyarsk, Russia

Доп.точки доступа:
Soldatenko, A.; Sterkhova, I.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Albanov, A.; Zolotov, A.; Lazareva, N.
}
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Dynamics of asphaltene aggregates under high-pressure CO2 revealed by pulsed-field gradient NMR / E. V. Morozov, S. N. Trukhan, I. V. Kozhevnikov [et al.] // Energy & Fuels. - 2023. - Vol. 37, Is. 22. - P. 17215-17226, DOI 10.1021/acs.energyfuels.3c02862. - Cited References: 90. - The present research was performed with the financial support of the Russian Science Foundation (project no. 21-13-00171, http://rscf.ru/project/21-13-00171/) using the equipment of the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 0887-0624. - ISSN 1520-5029
Аннотация: The work demonstrates the results of the first experimental PFG NMR study in situ of the complex phase behavior of asphaltenes in the presence of high-pressure CO2. To perform the experiments, a series of sealed, thick-walled quartz capillaries were prepared with a mixture of CO2 and asphaltenes dissolved either in chloroform or benzene at different initial concentrations. Then, the temperature dependence of the diffusion coefficients of the asphaltene aggregates was measured for each sample after the mixture reached its equilibrium state, at which, in accordance with the solubility limit, only part of the initial asphaltenes remained dissolved. Despite quite low residual asphaltene concentrations in solution, experimental data clearly demonstrated the presence of aggregated structures (up to 70–80 wt %) attributed solely to nanoaggregates, with no signs of the presence of macroaggregates in the samples. Temperature dependencies of aggregate diffusivity clearly showed that the scenario, according to which the evolution of the asphaltene aggregates will develop, strongly depends on the initial asphaltene concentration, mass fraction of CO2 loaded into the system, and chemical nature of the solvent used. In particular, the most diluted asphaltene solution, expected to be the most resistive to the aggregation processes in a high-pressure CO2 environment, revealed the most pronounced aggregation-dependent translational dynamics as compared to those with a moderate initial asphaltene concentration. Contrarily, the concentrated asphaltene solution may not show drastic aggregation processes if the mass fraction of the CO2 loaded will not appear to be so high. Finally, the experimental results provide evidence that the temperature-triggered structural transformation of asphaltene aggregates due to the noncovalent bond breakup is not hindered under high-pressure CO2, but instead becomes more emphasized. The results obtained shed new light on asphaltene aggregate dynamics and brought new knowledge about the fundamental behavior of asphaltene in high-pressure CO2 conditions.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Federal Research Center “Krasnoyarsk Science Center of Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50/24, Krasnoyarsk 660036, Russia
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Science Center of Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50/38, Krasnoyarsk 660036, Russia
Federal Research Center “Krasnoyarsk Science Center of Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50, Krasnoyarsk 660036, Russia
Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Ak. Lavrentieva 5, Novosibirsk 630090, Russia

Доп.точки доступа:
Morozov, E. V.; Морозов, Евгений Владимирович; Trukhan, Sergey N.; Kozhevnikov, Ivan V.; Peterson, Ivan V.; Martyanov, Oleg N.
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    Nuclear magnetic resonance study of ice-based composite materials reinforced with nanodisperse aluminum oxide fibers / E. V. Morozov, A. S. Voronin, S. V. Kniga, V. M. Buznik // Inorg. Mater. Appl. Res. - 2022. - Vol. 13, Is. 1. - P. 217-224, DOI 10.1134/S2075113322010270. - Cited References: 21. - This work was performed within the scope of state contract no. 0287-2021-0012 of the Institute of Chemistry and Chemical Technology (Siberian Branch, Russian Academy of Sciences) in the part of developing the MRI methods for studying composite materials; also the work was supported by the Russian Science Foundation (project no. 18-1300392) in the part of the study of the processes of water crystallization and ice melting in ice-based composite materials . - ISSN 2075-1133. - ISSN 2075-115X
Рубрики:
SELF-DIFFUSION
   WATER
Кл.слова (ненормированные):
ice composite materials -- reinforcing -- freezing -- melting -- NMR spectroscopy -- magnetic resonance imaging
Аннотация: Pulsed-field gradient NMR spectroscopy and magnetic resonance imaging methods were used to investigate water suspensions of nanosized fibers of aluminum oxide and ice composite materials based on these fibers. Introduction of the nanofibers was shown to have no noticeable structural effect in the suspensions in the Al2O3 concentration range of 1-10 wt %. High content of the filler was found to change the morphology and texture of the ice matrix in the composites remarkably: it becomes more homogeneous and acquires a higher degree of continuity; the melting front does not visualize internal melting zones or integrity defects in the composite. At the same time, addition of the nanofibers to the ice composites weakly influences the quantitative dynamics of the heat transfer, which is manifested in close values of the propagation speeds of the freezing/melting front in the samples at similar temperatures.

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Публикация на русском языке Исследование ледовых композиционных материалов, армированных нанодисперсными волокнами оксида алюминия, методами ядерного магнитного резонанса [Текст] / Е. В. Морозов, А. С. Воронин, С. В. Книга, В. М. Бузник // Материаловедение. - 2021. - № 8. - С. 9-18

Держатели документа:
Russian Acad Sci, Krasnoyarsk Sci Ctr, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Krasnoyarsk Sci Ctr, Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
All Russian Sci Res Inst Aviat Mat, Moscow 105005, Russia.
Tomsk State Univ, Tomsk 634050, Russia.

Доп.точки доступа:
Morozov, E. V.; Морозов, Евгений Владимирович; Voronin, A. S.; Kniga, S., V; Buznik, V. M.; Institute of Chemistry and Chemical Technology (Siberian Branch, Russian Academy of Sciences) [0287-2021-0012]; Russian Science FoundationRussian Science Foundation (RSF) [18-1300392]
}
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Zobov, V. E.
Multiple-quantum NMR spectroscopy and quantum information spreading control in the spin systems of solids / V. E. Zobov, A. A. Lundin // J. Exp. Theor. Phys. - 2022. - Vol. 135, Is. 5. - P. 752-761, DOI 10.1134/S1063776122110139. - Cited References: 49. - This work was supported within the State assignment of the Ministry of Science and Higher Education of the Russian Federation (registration number 1021051201992-1) . - ISSN 1063-7761. - ISSN 1090-6509
Аннотация: Multiple-quantum (MQ) solid-state NMR spectroscopy allows the growth of multiple-spin correlations and, thus, the spreading of quantum information in the object under study to be observed. Recently, in [11] it was proposed to control this process through a controlled perturbation added to the effective Hamiltonian that causes degradation of correlated spin clusters with a rate determined by the number of spins K in a cluster. However, this perturbation can also lead to degradation whose rate is determined by the coherence order M. In this paper, to investigate the influence of a small added perturbation, we used an expansion into orthogonal operators that allowed the cluster size distribution to be taken into account. In our calculations we realized a simple model with known amplitudes of the expansion into a complete set of orthogonal operators in the absence of a perturbation. We performed numerical calculations of the “preparation time” dependences of the MQ spectra, their second moments, and the coherence orders at which the MQ spectra decrease by a factor of e as well as the average correlated spin cluster sizes K¯. The coherence-order-dependent contribution to the degradation is shown to change the shape of the MQ spectrum. In particular, as the preparation time increases, the MQ spectrum can be stabilized, while the growth of K¯ is retained. Due to the change in the shape of the MQ spectrum, the relations of its characteristics to the number K¯ change compared to those for the Gaussian function (traditionally used to process the experiments). These changes should be taken into account when studying the spreading of quantum information through MQ spectroscopy.

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Публикация на русском языке Зобов, Владимир Евгеньевич. Многоквантовая ЯМР-спектроскопия и управление распространением квантовой информации в спиновых системах твердых тел [Текст] / В. Е. Зобов, А. А. Лундин // Журн. эксперим. и теор. физ. - 2022. - Т. 162 Вып. 5. - С. 778-789

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia
Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 117977, Moscow, Russia

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич
}
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10.

    N,N-bis(silylmethyl)anilines: Synthesis and structure / N. Lazareva, B. Gostevskii, A. Albanov [et al.] // J. Organomet. Chem. - 2022. - Vol. 976. - Ст. 122438, DOI 10.1016/j.jorganchem.2022.122438. - Cited References: 65 . - ISSN 0022-328X
   Перевод заглавия: N,N-бис(силилметил)анилины: синтез и структура
Кл.слова (ненормированные):
N,N-bis(silylmethyl)anilines -- N,N-bis(silatranylmethyl)aniline -- Alkylation -- X-ray -- NMR -- Solvates
Аннотация: The novel N,N-bis(silylmethyl)anilines PhN(CH2SiX3)2 were obtained by the reaction of N-(silylmethyl)anilines PhNHCH2SiX3 with chloromethylsilanes ClCH2SiX3 (SiX3 = SiMe3, Si(OMe)3). Their ammonium salts were prepared by the alkylation of N,N-bis(silylmethyl)anilines with MeI. The transetherification of N,N-bis[(trimethoxysilyl)methyl]aniline with triethanolamine led to the formation of N,N-bis(silatranylmethyl)aniline Ph[CH2Si(OCH2CH2)3N]2. Its molecular structure was determined by single crystal X-ray diffraction. It has been found that two solvates having slightly different molecular structures Ph[CH2Si(OCH2CH2)3N]2•MeCN and 3Ph[CH2Si(OCH2CH2)3N]2•3.24 MeCN were formed as result of the recrystallization of N,N-bis(silatranylmethyl)aniline from MeCN. The geometrical parameters of silatranyl groups Si(OCH2CH2)3N in these solvates are closely and the lengths of dative bonds N→Si lie between 2.164(3) Å and 2.168(3) Å in the typical range for silatranyl groups. In crystals of these solvates there are a big voids which vary in size and shape.

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Держатели документа:
A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky st., Irkutsk, 664033, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Lazareva, N.; Gostevskii, B.; Albanov, A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vashchenko, A.
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11.

Modification of polycaproamide composites based on 1H,1H,13H-rihydroperfluorotridecan-1-ol and montmorillonite / S. V. Kudashev, A. A. Kondrasenko, A. N. Maiulev [et al.] // Fibre Chem. - 2022. - Vol. 53, Is. 5. - P. 291-295, DOI 10.1007/s10692-022-10287-5. - Cited References: 24 . - ISSN 0015-0541
Кл.слова (ненормированные):
Decomposition -- Nuclear magnetic resonance spectroscopy -- Macromolecular chain -- Macroradicals -- NMR-spectroscopy -- Organoclays -- Paramagnetic centers -- Polycaproamides -- Polymer composite -- Possible mechanisms -- Stabilizing effects -- X ray structure analysis -- Clay minerals
Аннотация: Modification of polycaproamide by 1H,1H,13H-trihydroperfluorotridecan-1-ol immobilized on montmorillonite produced an F-containing polymer composite. The structure of the resulting composite was investigated using x-ray structure analysis and solid-state 19F NMR spectroscopy. The polymorphous composition of this heterochain polymer was shown to reorganize to enhance its thermal stability and diminish its flammability. Possible mechanisms for the stabilizing effect of the used modifier that were related to the involvement of organo-clay paramagnetic centers in the binding of macroradicals formed during thermal decomposition of macromolecular chains were discussed.

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Держатели документа:
Volgograd State Technical University, Volgograd, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Sebryakovskii Filial, Volgograd State Technical University, Volgograd Region, Mikhailovka, Russian Federation
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
I. M. Sechenov First Moscow State Medical University (Sechenov University), Moscow, Russian Federation

Доп.точки доступа:
Kudashev, S. V.; Kondrasenko, A. A.; Кондрасенко, Александр Александрович; Maiulev, A. N.; Мацулев, Александр Николаевич; Babkin, V. A.; Belousova, V. S.; Andreev, D. S.; Zheltobryukhov, V. F.; Kuznetsova, N. V.
}
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12.

"Smart" nanoscalpel for microsurgery of glial tumors of the human brain / S. S. Zamay, A. A. Narodov, R. G. Galeev [et al.] // Sib. Med. Rev. - 2022. - Is. 5. - P. 109-110 ; Сиб. мед. обозрение, DOI 10.20333/25000136-2022-5-109-110. - Cited References: 2. - This research was funded by the Regional State Autonomous Institution "Krasnoyarsk Regional Fund for Support of Scientific and Scientific and Technical Activities", Competition of scientific, technical and innovative projects in the interests of the first world-class climate scientific and educational center "Yenisei Siberia", grant “Carrying out applied research and development aimed at creating technologies for the production of nanoscalpels based on magnetic nanodisks for microsurgery of glial brain tumors” № 2022060108781 and with the support of a partner company JSC «NPP «Radiosviaz» . - ISSN 1819-9496
Кл.слова (ненормированные):
aptamers -- glial tumor -- NMR tomography -- «smart» nanoscalpel -- nanodiscs -- magnetomechanical therapy
Аннотация: We studied the effectiveness of magnetomechanical therapy in the treatment of brain glial tumors using magnetic nanodiscs functionalized with DNA aptamers to human brain tumor glial cells. Materials and methods. The formation of a model of human glioblastoma was carried out by intracranial injection of tumor cells of glioblastoma obtained from a patient with glioblastoma. Antitumor therapy was carried out using nanodiscs modified with the Gli233 aptamer. The growth of the glial tumor was monitored using NMR tomography. Results and discussion. Therapy of a glial tumor during 4 sessions of magnetomechanical therapy using a "smart" nanoscalpel in MF (10Hz, 100Oe) led to a significant reduction in its size, while glial tumors in mice that were treated with nanodiscs modified with nonspecific aptamers continued to increase in size. Conclusion. Microsurgery using three-layer magnetic nanodisks with a quasi-dipole structure (Au/Ni/Au) modified with the specific for glial cells Gli233 aptamer (“smart” nanoscalpel) is effective for the treatment of human glial tumors in the brain.

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Держатели документа:
Federal Research Center "Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences", Krasnoyarsk, 660036, Russian Federation
Prof. V. F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk, 660022, Russian Federation
JSC «NPP «Radiosviaz», Krasnoyarsk, 660021, Russian Federation
V.P. Astafiev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation
L.V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Zamay, S. S.; Narodov, A. A.; Galeev, R. G.; Prokopenko, V. S.; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Borus, A. A.; Борус, Андрей Андреевич; Zabluda, V. N.; Заблуда, Владимир Николаевич; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Baron, F. A.; Барон, Филипп Алексеевич; Garifullin, V. F.; Masyugin, A. N.; Zelenov, F. V.; Grek, D. S.; Voronkovskii, I. I.; Gorbushin, A.; Kolovskaya, O. S.; Lukyanenko, K. A.; Nikolaeva, E. D.; Luzan, N. A.; Kichkailo, A. S.

}
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13.

Zobov, V. E.
Multiple-quantum NMR spectral intensity profiles under decoherence effects / V. E. Zobov, A. A. Lundin // Modern Development of Magnetic Resonance : abstracts int. conf. / ed. Salikhov K. M. - Kazan, 2022. - P. 19. - Библиогр.: 4

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk
Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow

Доп.точки доступа:
Salikhov K. M. \ed.\; Lundin, A. A.; Зобов, Владимир Евгеньевич; "Modern Development of Magnetic Resonance", International conference(2022; 3-7 Oct. ; Kazan)
}
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14.

Morozov, E. V.
From components to phase-dependent dynamics of diffusivity in wax solutions subjected to fluid-solid phase transition: Insights from Pulsed Field Gradient NMR / E. V. Morozov, P. V. Nizovtseva, O. N. Martyanov // Energy Fuels. - 2022. - Vol. 36, Is. 24. - P. 14696-14709, DOI 10.1021/acs.energyfuels.2c02943. - Cited References: 76. - The present research was performed with the financial support of the Russian Science Foundation (project no. 21-13-00171, http://rscf.ru/project/21-13-00171/) . - ISSN 0887-0624. - ISSN 1520-5029
Кл.слова (ненормированные):
Concentration ranges -- Crystal networks -- Diffusion components -- Fluid-solid phase transition -- N-dodecane -- Phase dependent -- Pulsed field gradient NMR -- Supplementary information -- Wax appearance temperature -- Wax crystals
Аннотация: The evolution of solvent and solute diffusivity during fluid-solid phase transition was studied in model wax in n-dodecane solutions in a wide concentration range. Studied systems were characterized using viscosity measurements to provide supplementary information related to wax precipitation onset, while diffusion coefficients of n-dodecane and paraffin molecules were quantified using Pulsed Field Gradient (PFG) NMR. It was revealed that above the wax appearance temperature (WAT), the Hayduk-Minhas equation adequately predicts the solute and solvent diffusivity. At lower temperatures (below the WAT), three distinct diffusive components appear, which no longer originate from individual molecular components but correspond to a liquid phase differing in terms of association to the wax crystal network. These diffusion components were concluded to contain dodecane and the residual dissolved wax; the major components among them correspond to fluid, which relatively freely diffuses between the wax microcrystals and experiences the hindrance due to the wax gel network, and the minor components correspond to the fluid closely associated with the wax crystals. Unlike at high temperatures, the Hayduk-Minhas equation was found to be unable to predict adequately the diffusivity below the WAT. Using Singh's approach, the aspect ratio of wax crystals was calculated for different temperatures and concentrations and its complex nonlinear behavior was observed. It turned out that none of the models available differentiate the fluids with respect to the wax crystal network that leaves out of modeling the diffusion components with reduced mobility. The results indicate that the intuitive paradigm of component-dependent dynamics of solvent and solute diffusivity should be changed to phase-dependent dynamics once the system turns into wax gel since the diffusion of separate components becomes the diffusion of separate phases. This understanding shows a new route to improving the wax deposition modeling, which will facilitate an increase of effectiveness of the remedial strategies in the petroleum industry.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsky Rabochy Ave. 31, Krasnoyarsk, 660037, Russian Federation
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Ak. Lavrentieva 5, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Nizovtseva, P. V.; Martyanov, O. N.; Морозов, Евгений Владимирович
}
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15.

    Zobov, V. E.
    On the control of the spread of quantum information in multiple quantum NMR spectroscopy of solids / V. E. Zobov, A. A. Lundin // Proceedings of the International Conference "Micro- and Nanoelectronics – 2021". ICMNE – 2021 : book of abstracts : Oct. 4-8, 2021, Moscow - Zvenigorod, Russia. - 2021. - Ст. q3-02. - P. 149. - Cited References: 5
   Перевод заглавия: О контроле распространением квантовой информации в многоквантовой ЯМР спектроскопии твердых тел

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Доп.точки доступа:
Lundin, A. A.; Лундин, Андрей Арнольдович; Зобов, Владимир Евгеньевич; "Micro- and Nano-Electronics", International Conference(2021 ; Oct. ; Zvenigorod); "Микро- и наноэлектроника", международная конференция(2021 ; окт. ; Звенигород); Квантовая информатика, симпозиум(2021 ; окт. ; Звенигород)Российская академия наук; Физико-технологический институт имени К.А. Валиева РАН
}
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16.

Lundin, A. A.
Solid-state NMR free induction decay, simulated by the system of classical magnetic moments and quantum correlations / A. A. Lundin, V. E. Zobov // Russ. J. Phys. Chem. B. - 2021. - Vol. 15, Is. 5. - P. 839-847, DOI 10.1134/S1990793121050079. - Cited References: 34. - This study was carried out as part of state assignment 0082-2019-0001 (registration number AAAA-A19-119012890064-7) . - ISSN 1990-7931. - ISSN 1990-7923

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
HIGH-TEMPERATURE DYNAMICS
   HEISENBERG-MODEL
   SPIN SIMULATIONS
   SHAPE
Кл.слова (ненормированные):
spin -- paramagnetic -- quantum technology -- spin dynamics -- quantum computing
Аннотация: In the past decade, nuclear magnetic resonance (NMR) has been actively used to study the basic principles of quantum computers. It is assumed that quantum correlations play a significant role in their performance. They exist at both low and high temperatures. At the same time, the time correlation functions of nuclear spin systems of solids determine the observed signals in traditional NMR implementations. The separation of such signals into quantum and classical components has not previously been carried out and will be performed in this study for the most important of the correlational functions observed in magnetic resonance: the free induction decay (FID).

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Публикация на русском языке Лундин, Андрей Арнольдович. Сигнал свободной прецессии ЯМР твердого тела, его моделирование посредством системы классических магнитных моментов и квантовые корреляции [Текст] / А. А. Лундин, В. Е. Зобов // Химич. физика. - 2021. - Т. 40 № 9. - С. 41-49

Держатели документа:
Russian Acad Sci, Semenov Fed Res Ctr Chem Phys, Moscow, Russia.
Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Kirensky Inst Phys,Fed Res Ctr, Krasnoyarsk, Russia.

Доп.точки доступа:
Zobov, V. E.; Зобов, Владимир Евгеньевич; [AAAA-A19-119012890064-7]
}
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17.

    Polymorphs of Rb3ScF6: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study / A. Rakhmatullin, M. S. Molokeev, G. King [et al.] // Inorg. Chem. - 2021. - Vol. 60, Is. 8. - P. 6016-6026, DOI 10.1021/acs.inorgchem.1c00485. - Cited References: 43. - For DFT calculations, we thank the “Centre de Calcul Scientifique en region Centre” (Orléans, France). We acknowledge the Interface, Confinement, Materials and Nanostructures (Orléans, France) for access to their transmission electron microscope. Financial support from the IR-RMN-THC Fr3050 CNRS for conducting the research is gratefully acknowledged. This study was also financially supported by VEGA-2/0060/18 and ITMS project (code 313021T081, Research & Innovation Operational Programme funded by the ERDF). We thank also Dr. F. Vivet, Dr. F. Fayon, and Dr. D. Massiot for useful discussions . - ISSN 0020-1669
   Перевод заглавия: Полиморфы Rb3ScF6: рентгеновская дифракция и нейтронная дифракция, ЯМР и расчет функциональной теории плотности
Аннотация: The crystal structures of three polymorphs of Rb3ScF6 have been determined through a combination of synchrotron, laboratory X-ray, and neutron powder diffraction, electron diffraction, and multinuclear high-field solid-state NMR studies. The room temperature (RT; α) and medium-temperature (β) structures are tetragonal, with space groups I41/a (Z = 80) and I4/m (Z = 10) and lattice parameters a = 20.2561(4) Å, c = 36.5160(0) Å and a = 14.4093(2) Å, c = 9.2015(1) Å at RT and 187 °C, respectively. The high-temperature (γ) structure is cubic space group Fm3̅m (Z = 4) with a = 9.1944(1) Å at 250 °C. The temperatures of the phase transitions were measured at 141 and 201 °C. The three α, β, and γ Rb3ScF6 phases are isostructural with the α, β, and δ forms of the potassium cryolite. Detailed structural characterizations were performed by density functional theory as well as NMR. In the case of the β polymorph, the dynamic rotations of the ScF6 octahedra of both Sc crystallographic sites have been detailed.

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Conditions Extremes et Materiaux: Haute Temperature et Irradiation, CEMHTI, UPR 3079, CNRS, Universite Orleans, Orleans, 45071, France
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Material and Chemical Sciences, Canadian Light Source, 44 Innovation Boulevard, Saskatoon, SK S7N 2V3, Canada
Department of Rare Metals and Nanomaterials, Institute of Physics and Technology, Ural Federal University, 19 Mira strasse, Ekaterinburg, 620002, Russian Federation
Institut Laue-Langevin, Grenoble 9F-38042, France
Department of Technology of Mechanical Engineering and Instrument Making, Votkinsk Branch, Kalashnikov Izhevsk State Technical University, 1 Shuvalova Strasse, Votkinsk, 427000, Russian Federation
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, 84536, Slovakia
Centre of Excellence for Advanced Materials Application, CEMEA, Slovak Academy of Sciences, Dubravska cesta 5807/9, Bratislava, 84511, Slovakia

Доп.точки доступа:
Rakhmatullin, A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; King, G.; Polovov, I. B.; Maksimtsev, K. V.; Chesneau, E.; Suard, E.; Bakirov, R.; Simko, F.; Bessada, C.; Allix, M.
}
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18.

    Zobov, V. E.
    Effect of degradation processes caused by a small perturbation on the growth of the average cluster size of correlated spins in multiple quantum NMR spectroscopy of solids / V. E. Zobov, A. A. Lundin // Appl. Magn. Reson. - 2021. - Vol. 52. Is. 7. - P. 879–892, DOI 10.1007/s00723-021-01342-1. - Cited References: 33. - The study is funded by the Ministry of Science and Higher Education of the Russian Federation in the framework of the State assignment, State registration number AAAA-A19-119012890064-7 . - ISSN 0937-9347
   Перевод заглавия: Влияние процессов деградации, вызванных малым возмущением, на рост среднего размера кластера коррелированных спинов в многоквантовой ЯМР спектроскопии твердых тел
Кл.слова (ненормированные):
Nuclear magnetic resonance spectroscopy -- Average size -- Cluster sizes -- Degradation process -- Multiple quantum NMR spectroscopy -- Orthogonal operators -- Over-complete -- Small perturbations -- Velocity ratio -- Cluster analysis
Аннотация: Multiple quantum (MQ) NMR spectroscopy of solids allows one to observe the growth and decay of multispin correlations. As a rule, the average size of the cluster of correlated spins is extracted from the width of the MQ spectrum. In the present article, the size distribution of such clusters is explored. To obtain the above distribution, the solutions for the amplitudes of the decomposition over complete sets of orthogonal operators for the two different models were used. By means of these models, we have taken into account the dependence of cluster degradation (the degradation of a cluster means, e.g., destruction of correlations in cluster or loss of particles in it) through two positions. The first one defines by the cluster size while the second one depends on the MQ coherence order of the cluster. It is shown that in dependence of the relation the rates of these degradation processes, the width of the MQ spectrum carries different information. If the first process is faster that the second one, then the width of the MQ spectrum is still determined by the average cluster size. When the velocity ratio becomes inverse, the width of the MQ spectrum takes on a smaller value, which is a consequence of the faster degradation of the MQ spectrum components with large orders of coherence.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, 117977, Russian Federation

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич
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19.

    Zobov, V. E.
    Reversible and Irreversible propagation of quantum information and its manifestation in multiple-quantum NMR spectra in solids / V. E. Zobov, A. A. Lundin // J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 2. - P. 273-279, DOI 10.1134/S1063776120060096. - Cited References: 33. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the State Task 0082-2019-0001 (State Registration Number AAAA-A19-119012890064-7) . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
DYNAMICS
   LOCALIZATION
   SIMULATIONS
   COHERENCES
Аннотация: On the basis of the earlier developed statistical theory of the growth of the effective size of correlated clusters (the number of correlated spins), an expression for the shape of the multiple-quantum (MQ) NMR spectrum is obtained that takes into account the loss of coherence in a spin system due, for example, to the controlled intervention of the experimenter. It is shown that the scrambling and decoherence processes in the MQ spectrum of the multiparticle system of a solid are not separated, unlike the corresponding spectra of some large isolated molecules [27] in a solution. The relations obtained allow one to extract the necessary information about the above processes (scrambling and decoherence) from the dependence of the MQ spectra on experimental parameters.

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Публикация на русском языке Зобов, Владимир Евгеньевич. Обратимое и необратимое распространение квантовой информации и проявление его в спектрах многоквантового ЯМР в твердом теле [Текст] / В. Е. Зобов, А. А. Лундин // Журн. эксперим. и теор. физ. - 2020. - Т. 158 Вып. 2. - С. 300-308

Держатели документа:
RAS, Fed Res Ctr, Kirensky Inst Phys, KSC,SB, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Semenov Inst Chem Phys, Moscow 117977, Russia.

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич; Ministry of Science and Higher Education of the Russian Federation [0082-2019-0001, AAAA-A19-119012890064-7]
}
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20.

Chemistry of vinylidene complexes. XXV. Synthesis and reactions of binuclear µ-vinylidene RePt complexes containing phosphite ligands. Spectroscopic, structural and electrochemical study / O. S. Chudin, V. V. Verpekin, A. A. Kondrasenko [et al.] // Inorg. Chim. Acta. - 2020. - Vol. 505. - Ст. 119463, DOI 10.1016/j.ica.2020.119463. - Cited References: 56. - This work was conducted within the framework of the budget project AAAA-A17-117021310221-7 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS . - ISSN 0020-1693
Кл.слова (ненормированные):
Vinylidene complexes -- Rhenium -- Platinum -- NMR -- X-ray diffraction -- Redox properties
Аннотация: Reactions of Cp(CO)2ReCCHPh with Pt[P(OR)3]4 (R = Pri, Et, Ph) gave binuclear μ-vinylidene complexes Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2. Treatment of the previously synthesized Cp(CO)2Re(μ-CCHPh)Pt(PPh3)2 with triisopropylphosphite or triethylphosphite resulted in a stepwise substitution of PPh3 ligands, leading to the disubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2 and monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri or Et) species, while no triphenylphosphine ligand substitution in the reaction with P(OPh)3 occurs at all. The monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri, Et, Ph) species were also obtained by reacting Cp(CO)2ReCCHPh with mixed-ligand complexes Pt(PPh3)3L (L = P(OPri)3, P(OEt)3, P(OPh)3). Reactions of Cp(CO)2RePt(μ-CCHPh)LL′ (L = L′ = P(OPri)3, P(OEt)3, P(OPh)3; L = P(OPri)3, P(OEt)3, P(OPh)3, L′ = PPh3) with Co2(CO)9 yield tricarbonyl vinylidene species Cp(CO)2RePt(μ-CCHPh)[P(OR)3](CO) (R = Pri, Et, Ph). The obtained compounds were characterized by IR and 1H, 13C, 31P NMR spectroscopy. The molecular structures of Cp(CO)2RePt(μ-CCHPh)[P(OPri)3]2, Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](PPh3) and Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](CO) were determined by X-ray diffraction study. The redox properties of the new complexes and their reactions of chemical oxidation were studied.

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Держатели документа:
Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-24, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Prospect, 79, Krasnoyarsk, 660041, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Acad. Lavrentiev Ave., 3, Novosibirsk, 630090, Russian Federation
Novosibirsk State University, 2 Pirogova Str., Novosibirsk, 630090, Russian Federation
Institute of Physics SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Chudin, O. S.; Verpekin, V. V.; Kondrasenko, A. A.; Burmakina, G. V.; Piryazev, D. A.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Pavlenko, N. I.; Zimonin, D. V.; Rubaylo, A. I.
}
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