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Вид документа : Статья из журнала
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Автор(ы) : Dymova M. A., Malysheva D. O., Popova V. K., Dmitrienko E. V., Endutkin A. V., Drokov D. V., Mukhanov V. S., Byvakina A. A., Kochneva G. V., Artyushenko P. V., Shchugoreva I. A., Rogova A. V., Tomilin F. N., Kichkailo A. S., Richter V. A., Kuligina E. V.
Заглавие : Characterizing aptamer interaction with the oncolytic virus VV-GMCSF-Lact
Колич.характеристики :14 с
Место публикации : Molecules. - 2024. - Vol. 29, Is. 4. - Ст.848. - ISSN 14203049 (eISSN), DOI 10.3390/molecules29040848
Примечания : Cited References: 46. - This study was supported by the Russian Science Foundation grant No. 22-64-00041, available online: https://rscf.ru/en/project/22-64-00041/ (accessed on 6 February 2024). This work was supported by the Russian state-funded project for ICBFM SB RAS (grant number 121030200173-6)
Аннотация: Aptamers are currently being investigated for their potential to improve virotherapy. They offer several advantages, including the ability to prevent the aggregation of viral particles, enhance target specificity, and protect against the neutralizing effects of antibodies. The purpose of this study was to comprehensively investigate an aptamer capable of enhancing virotherapy. This involved characterizing the previously selected aptamer for vaccinia virus (VACV), evaluating the aggregation and molecular interaction of the optimized aptamers with the recombinant oncolytic virus VV-GMCSF-Lact, and estimating their immunoshielding properties in the presence of human blood serum. We chose one optimized aptamer, NV14t_56, with the highest affinity to the virus from the pool of several truncated aptamers and built its 3D model. The NV14t_56 remained stable in human blood serum for 1 h and bound to VV-GMCSF-Lact in the micromolar range (Kd ≈ 0.35 μM). Based on dynamic light scattering data, it has been demonstrated that aptamers surround viral particles and inhibit aggregate formation. In the presence of serum, the hydrodynamic diameter (by intensity) of the aptamer–virus complex did not change. Microscale thermophoresis (MST) experiments showed that NV14t_56 binds with virus (EC50 = 1.487 × 109 PFU/mL). The analysis of the amplitudes of MST curves reveals that the components of the serum bind to the aptamer–virus complex without disrupting it. In vitro experiments demonstrated the efficacy of VV-GMCSF-Lact in conjunction with the aptamer when exposed to human blood serum in the absence of neutralizing antibodies (Nabs). Thus, NV14t_56 has the ability to inhibit virus aggregation, allowing VV-GMCSF-Lact to maintain its effectiveness throughout the storage period and subsequent use. When employing aptamers as protective agents for oncolytic viruses, the presence of neutralizing antibodies should be taken into account.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Плотность поляризуемости и ориентационный порядок молекул (мономеров) в одноосной молекулярной (полимерной) пленке
Колич.характеристики :10 с
Место публикации : Жидк. крист. и их практич. использ. - 2024. - Т. 24, № 2. - С. 54-63. - ISSN 19913966 (ISSN), DOI 10.18083/LCAppl.2024.2.54; Liq. Cryst. Appl. - ISSN 24999644 (eISSN)
Примечания : Библиогр.: 14
Аннотация: Для адекватных представлений о природе спектральных и оптических свойств одноосных молекулярных (полимерных) пленок необходимы данные об энергетической структуре молекул (мономерных звеньев полимерной цепи – мономеров) и дальнем ориентационном порядке дипольных моментов mq электронных/колебательных переходов. Этот порядок характеризуется параметрами порядка Uq моментов mq относительно оптической оси n пленки. До сих пор опосредованными источниками таких данных служили компоненты nj(ω), kj(ω) показателей преломления Nj(ω) = nj(ω) – ikj(ω) или компоненты ε(1,2)j(ω) диэлектрических проницаемостей εj(ω) = ε1j(ω) – iε2j(ω) пленки для поляризаций световой волны вдоль (j = ||) и нормально (j = ⊥) оси n. Непосредственная информация об энергетической структуре молекул (мономеров) и параметрах Uq содержится в компонентах γ(1,2)j(ω) средних по ансамблю поляризуемостей γj(ω) = γ1j(ω) – iγ2j(ω) молекул (мономеров). В настоящей работе для получения этой информации используются компоненты P(1,2)j(ω) плотностей поляризуемости Pj(ω) = [εj(ω) – 1]/fj(ω) = 4pNγj(ω) = P1j(ω) – iP2j(ω). Здесь fj(ω) = 1 + Lj[εj(ω) – 1] – компоненты тензора локального поля световой волны в пленке; компоненты тензора Лорентца Lj определяются с использованием зависимостей nj(ω) в области прозрачности пленки; N – число молекул (мономеров) в единице объема пленки. Развиты методы определения параметров Uq для молекулярных переходов с использованием зависимостей P(1,2)j(ω) в пределах изолированных полос поглощения, отвечающих данным переходам. Эти методы подтверждены для одноосных пленок сопряженного полимера F8BT с преимущественной ориентацией макромолекул в плоскости пленки XY, оптической осью n||Z и известными зависимостями nj(ω), kj(ω) в областях прозрачности и низкочастотного электронного поглощения. Установлены спектрально-инвариантные соотношения, связывающие функции P(1,2)j(ω) и ε(1,2)j(ω).In order to gain an adequate understanding about the nature of spectral and optical properties of uniaxial molecular (polymer) films, the data about the energy structure of molecules (monomers) and the long-range orientation order of dipole moments mq of electronic/vibrational transitions are needed. This order is characterized by the order parameters Uq of moments mq with respect to the optical axis n of the film. Until now, components nj(ω), kj(ω) of refractive indices Nj(ω) = nj(ω) – ikj(ω) or components ε(1,2)j(ω) of dielectric constants εj(ω) = ε1j(ω) – iε2j(ω) of the film for the light-wave polarizations along (j = ||) and across (j = ⊥) the axis n had been used as indirect sources of such data. The direct information about the energy structure of molecules (monomers) and parameters Uq is contained in the components γ(1,2)j(ω) of ensemble-averaged polarizabilities γj(ω) = γ1j(ω) – iγ2j(ω) of molecules (monomers). In this work, components P(1,2)j(ω) of polarizabilities densities Pj(ω) = [εj(ω) – 1]/fj(ω) = 4pNγj(ω) = P1j(ω) – iP2j(ω) are used for receiving such information. Here, fj(ω) = 1 + Lj[εj(ω) – 1] are the local-field tensor components for the light wave in the film; the Lorentz-tensor components Lj are obtained using the dependences nj(ω) in the transparency region of the film; N is the number of molecules (monomers) per unit volume of the film. Methods for determining parameters Uq for molecular transitions were developed using the dependences P(1,2)j(ω) within the isolated absorption bands corresponding to the transitions. The methods were confirmed for the uniaxial films of the conjugated polymer F8BT with the preferred orientation of macromolecules in the film plane XY with the optical axis n||Z and the known dependences nj(ω), kj(ω) in the transparency and low-frequency electronic absorption ranges. The spectral-invariant correlations connecting functions P(1,2)j(ω) and ε(1,2)j(ω) were established.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman V., Atuchin V. V., Bazarov B. G., Aleksandrovsky A. S., Eremin E. V., Krylov A. S., Kuratieva N., Bazarova J. G., Maximov N., Molokeev M. S., Oreshonkov A. S., Pervukhina N., Shestakov N. P.
Заглавие : Structural, spectroscopic, electric and magnetic properties of new trigonal K5FeHf(MoO4)6 orthomolybdate
Место публикации : Molecules. - 2023. - Vol. 28, Is. 4. - Ст.1629. - ISSN 14203049 (eISSN), DOI 10.3390/molecules28041629
Примечания : Cited References: 82. - This work was supported by the state order of BINM SB RAS (0273-2021-0008), IIC (121031700318-8), ISP (FWGW-2022-0006) and the Russian Science Foundation (21-19-00046). The research was granted by the Government of the Russian Federation (075-15-2022-1132)
Аннотация: A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 was performed using density functional theory calculations, group theory, Raman and infrared spectroscopy. The vibrational spectra are dominated by vibrations of the MoO4 tetrahedra, while the lattice modes are observed in a low-wavenumber part of the spectra. The experimental gap in the phonon spectra between 450 and 700 cm−1 is in a good agreement with the simulated phonon density of the states. K5FeHf(MoO4)6 is a paramagnetic down to 4.2 K. The negative Curie–Weiss temperature of −6.7 K indicates dominant antiferromagnetic interactions in the compound. The direct and indirect optical bandgaps of K5FeHf(MoO4)6 are 2.97 and 3.21 eV, respectively. The K5FeHf(MoO4)6 bandgap narrowing, with respect to the variety of known molybdates and the ab initio calculations, is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.
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Вид документа : Статья из журнала
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Автор(ы) : Tomilin F. N., Artyushenko P. V., Shchugoreva I. A., Rogova A. V., Vnukova N. G., Churilov G. N., Shestakov N. P., Tchaikovskaya O. N., Ovchinnikov S. G., Avramov P. V.
Заглавие : Structure and vibrational spectroscopy of C82 fullerenol valent isomers: An experimental and theoretical joint study
Место публикации : Molecules. - 2023. - Vol. 28, Is. 4. - Ст.1569. - ISSN 14203049 (eISSN), DOI 10.3390/molecules28041569
Примечания : Cited References: 57. - Synthesis and spectroscopic study of the Gd@C82OxHy complexes were supported by the Ministry of Science and Higher Education of the Russian Federation under project FWES-2022-0005. Molecular design of the fullerene derivatives was supported by the National Research Foundation of the Republic of Korea, grant NRF 2021R1A2C1010455. DFTB3 electronic structure calculations were supported by Project FSWM-2020-0033 of the Russian Ministry of Science and Education
Аннотация: Gd@C82OxHy endohedral complexes for advanced biomedical applications (computer tomography, cancer treatment, etc.) were synthesized using high-frequency arc plasma discharge through a mixture of graphite and Gd2O3 oxide. The Gd@C82 endohedral complex was isolated by high-efficiency liquid chromatography and consequently oxidized with the formation of a family of Gd endohedral fullerenols with gross formula Gd@C82O8(OH)20. Fourier-transformed infrared (FTIR) spectroscopy was used to study the structure and spectroscopic properties of the complexes in combination with the DFTB3 electronic structure calculations and infrared spectra simulations. It was shown that the main IR spectral features are formed by a fullerenole C82 cage that allows one to consider the force constants at the DFTB3 level of theory without consideration of gadolinium endohedral ions inside the carbon cage. Based on the comparison of experimental FTIR and theoretical DFTB3 IR spectra, it was found that oxidation of the C82 cage causes the formation of Gd@C82O28H20, with a breakdown of the integrity of the parent C82 cage with the formation of pores between neighboring carbonyl and carboxyl groups. The Gd@C82O6(OOH)2(OH)18 endohedral complex with epoxy, carbonyl and carboxyl groups was considered the most reliable fullerenole structural model.
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Вид документа : Статья из журнала
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Автор(ы) : Kostikov D. A., Krakhalev M. N., Prishchepa O. O., Zyryanov V. Ya.
Заглавие : Electrically induced structural transformations of a chiral nematic under tangential-conical boundary conditions
Колич.характеристики :10 с
Место публикации : Molecules. - 2023. - Vol. 28, Is. 23. - Ст.7842. - ISSN 14203049 (eISSN), DOI 10.3390/molecules28237842
Примечания : Cited References: 30
Аннотация: In this study, structural transformations induced by an electric field in the chiral nematic under tangential-conical boundary conditions have been considered. The composition influence of the orienting polymer films on the director tilt angles, the formation of orientational structures in the LC layer, as well as the electro-optical response and relaxation processes have been studied. It has been shown that the poly(tert-butyl methacrylate) concentration change in the orienting polymer mixture allows for smoothly controlling the director tilt angle without fixing its azimuthal orientation rigidly.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Atuchin V. V., Molokeev M. S., Sedykh A. E., Khritokhin N. A., Aleksandrovsky A. S., Oreshonkov A. S., Shestakov N. P., Adichtchev S. V., Pugachev A. M., Sal’nikova E. I., Andreev O. V., Razumkova I. A., Muller-Buschbaum K.
Заглавие : Exploration of the crystal structure and thermal and spectroscopic properties of monoclinic praseodymium sulfate Pr2(SO4)3
Место публикации : Molecules. - 2022. - Vol. 27, Is. 13. - Ст.3966. - ISSN 14203049 (ISSN), DOI 10.3390/molecules27133966
Примечания : Cited References: 95. - This research was funded by the Russian Science Foundation (project 21-19-00046, in part of conceptualization). Some parts of the experiments were performed in the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”
Аннотация: Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr2(SO4)3 is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) Å3 (T = 150 °C). The thermal expansion of Pr2(SO4)3 is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr2(SO4)3 is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr2(SO4)3·8H2O was studied as well. The vibrational properties of Pr2(SO4)3 were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr2(SO4)3 was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr3+ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr2(SO4)3 belongs to the 3P0 → 3F2 transition at 640 nm.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Erratum: «Комплексные показатели преломления и ориентационный порядок молекул в органических пленках с вакуумным напылением» [Жидк. крист. и их практич. использ. 2021, Т. 21, № 2, С. 82–91. DOI: 10.18083/LCAppl.2021.2.82]
Место публикации : Жидк. крист. и их практич. использ. - 2022. - Т. 22, № 2. - С. 85-85. - ISSN 19913966 (ISSN), DOI 10.18083/LCAppl.2022.2.85; Liq. Cryst. Appl.; Zidk. Krist. Prakt. Ispol'z.
Аннотация: На стр. 84 в формулах (7) – (9) и двух строках перед формулами (12) следует 3hjaj3 заменить на hj3aj3. Эти опечатки не влияют на остальное содержание статьи.On the page 84, in the equations (7) – (9) and two lines before equations (12), the expression 3hjaj3 should be changed by hj3aj3. These misprints do not influence on the rest contents of the article.
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Вид документа : Статья из журнала
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Автор(ы) : Atuchin V. V., Isaenko L. I., Lobanov S. I., Goloshumova A. A., Molokeev M. S., Zhang Z., Zhang X., Jiang X., Lin Z.
Заглавие : Anisotropic thermal expansion and electronic structure of LiInSe2
Место публикации : Molecules. - 2022. - Vol. 27, Is. 16. - Ст.5078. - ISSN 14203049 (ISSN), DOI 10.3390/molecules27165078
Примечания : Cited References: 65. - This work was partly supported by the Ministry of Education and Science of the Russian Federation (grant FSUS-2020-0036), state assignment of IGM SB RAS (preliminary crystal charge composition analysis), Russian Science Foundation (grants #19-12-00085-P, crystal growth, and 21-19-00046, conceptualization), National Scientific Foundations of China (Grants 51702330, 11974360 and 51872297), the Young Elite Scientist Sponsorship Program by CAST (YESS), and the CAS Project for Young Scientists in Basic Research (Grants YSBR-024) and the Government of the Russian Federation (075-15-2022-1132). The XPS measurements were carried out at the Surface Analysis Laboratory of the University of New South Wales, Sydney, Australia
Аннотация: Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman–Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5–6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303–703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK−1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Комплексные показатели преломления и ориентационный порядок молекул в органических пленках с вакуумным напылением
Место публикации : Жидк. кристаллы и их практич. использ. - 2021. - Т. 21, № 2. - С. 82-91. - ISSN 19913966 (ISSN), DOI 10.18083/LCAppl.2021.2.82; Liq. Cryst. Appl.
Примечания : Библиогр.: 16
Аннотация: Рассмотрены компоненты nj(ω), kj(ω) комплексного показателя преломления Nj(ω) = nj(ω) + ikj(ω) одноосной молекулярной пленки в области изолированной полосы поглощения света с поляризацией вдоль (j = ||) и нормально (j = ⊥) оптической оси пленки. В пределах данной полосы установлена связь экстремальных значений njmax, njmin, kjmax с фоновыми значениями nbj и параметром ориентационного порядка S дипольных моментов молекулярных переходов Установлена связь экстремальных значений njmax, njmin, kjmax в пределах данной полосы с фоновыми значениями nbj и параметром S. Развит метод определения S с использованием значений njmax, njmin, kjmax при учете анизотропии компонент fbj = 1 + Lj(nbj2 – 1) тензора локального поля и компонент Lj тензора Лорентца. Этот метод использован при определении S для ряда молекулярных пленок, полученных вакуумным напылением, и пленок сопряженных полимеров с известными зависимостями nj(ω), kj(ω) в области низкочастотного электронного поглощения. Экспериментальные значения Lj получены с использованием зависимостей nj(ω) в области прозрачности пленок. Выяснена связь величин Lj и S с размерами, анизотропией и химической структурой молекул.The components nj(ω), kj(ω) of the complex refractive index Nj(ω) = nj(ω) + ikj(ω) of an uniaxial molecular film in the region of an isolated absorption band of light with polarization along (j = ||) and across (j = ⊥) the optical axis of the film were considered. Within the band, the connection of the extreme values njmax, njmin, kjmax with the background values nbj and the orientation order parameter S of the dipole moments of molecular transitions was established. A method to determine S using the values of njmax, njmin, kjmax and accounting the anisotropy of the local-field-tensor components fbj = 1 + Lj(nbj2 – 1) and the Lorentz-tensor components Lj has been developed. The method was applied to determine S for a number of molecular vacuum-deposited films. It was also used for the films of conjugated polymers with the known dependences nj(ω), kj(ω) in the low-frequency electron absorption region. The experimental values of Lj were determined using the dependences nj(ω) in the transparency region of the films. The connection of Lj and S values with dimensions, anisotropy and chemical structure of molecules was clarified.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lim, Chang-Sung, Aleksandrovsky A. S., Molokeev M. S., Oreshonkov A. S., Atuchin V. V.
Заглавие : Structural and spectroscopic effects of Li+ substitution for Na+ in LixNa1-xCaGd0.5Ho0.05Yb0.45(MoO4)3 scheelite-type upconversion phosphors
Место публикации : Molecules. - 2021. - Vol. 26, Is. 23. - Ст.7357. - ISSN 1420-3049 (eISSN), DOI 10.3390/molecules26237357
Примечания : Cited References: 77. - This study was supported by the Research Program through the Campus Research Foundation funded by Hanseo University in 2021 (211Yunghap06)
Аннотация: A set of new triple molybdates, LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45, was successfully manufactured by the microwave-accompanied sol–gel-based process (MAS). Yellow molybdate phosphors LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45 with variation of the LixNa1-x (x = 0, 0.05, 0.1, 0.2, 0.3) ratio under constant doping amounts of Ho3+ = 0.05 and Yb3+ = 0.45 were obtained, and the effect of Li+ on their spectroscopic features was investigated. The crystal structures of LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45 (x = 0, 0.05, 0.1, 0.2, 0.3) at room temperature were determined in space group I41/a by Rietveld analysis. Pure NaCaGd0.5Ho0.05Yb0.45(MoO4)3 has a scheelite-type structure with cell parameters a = 5.2077 (2) and c = 11.3657 (5) Å, V = 308.24 (3) Å3, Z = 4. In Li-doped samples, big cation sites are occupied by a mixture of (Li,Na,Gd,Ho,Yb) ions, and this provides a linear cell volume decrease with increasing Li doping level. The evaluated upconversion (UC) behavior and Raman spectroscopic results of the phosphors are discussed in detail. Under excitation at 980 nm, the phosphors provide yellow color emission based on the 5S2/5F4 → 5I8 green emission and the 5F5 → 5I8 red emission. The incorporated Li+ ions gave rise to local symmetry distortion (LSD) around the cations in the substituted crystalline structure by the Ho3+ and Yb3+ ions, and they further affected the UC transition probabilities in triple molybdates LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45. The complex UC intensity dependence on the Li content is explained by the specificity of unit cell distortion in a disordered large ion system within the scheelite crystal structure. The Raman spectra of LixNa1-xCaGd0.5(MoO4)3 doped with Ho3+ and Yb3+ ions were totally superimposed with the luminescence signal of Ho3+ ions in the range of Mo–O stretching vibrations, and increasing the Li+ content resulted in a change in the Ho3+ multiplet intensity. The individual chromaticity points (ICP) for the LiNaCaGd(MoO4)3:Ho3+,Yb3+ phosphors correspond to the equal-energy point in the standard CIE (Commission Internationale de L’Eclairage) coordinates.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Sokolov A. Е., Dudnikov V. A., Shulga K. V., Volochaev M. N., Zharkov S. M., Shestakov N. P., Vysotin M. A., Ovchinnikov S. G.
Заглавие : Contribution of the multiplicity fluctuation in the temperature dependence of phonon spectra of rare-earth cobaltites
Место публикации : Molecules. - 2020. - Vol. 25, Is. 18. - Ст.4316. - ISSN 14203049 (ISSN), DOI 10.3390/molecules25184316
Примечания : Cited References: 34. - This work was supported by the Russian Science Foundation grant 18-02-00022. The scanning electron microscopy investigations were conducted in the SFU Joint Scientific Center, supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation. The other research was carried out at the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS”
Аннотация: We have studied, both experimentally and theoretically, the unusual temperature dependence of the phonon spectra in NdCoO3, SmCoO3 and GdCoO3, where the Co3+ ion is in the low-spin (LS) ground state, and at the finite temperature, the high-spin (HS) term has a nonzero concentration nHS due to multiplicity fluctuations. We measured the absorption spectra in polycrystalline and nanostructured samples in the temperature range 3–550 K and found a quite strong breathing mode softening that cannot be explained by standard lattice anharmonicity. We showed that the anharmonicity in the electron–phonon interaction is responsible for this red shift proportional to the nHS concentration.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu, Yan Rong, Wu, Yong, Wang, Jian Guo, Vendrell, Oriol, Kimberg V., Zhang, Song Bin
Заглавие : Electron-rotation coupling in diatomics under strong-field excitation
Место публикации : Phys. Rev. A. - 2020. - Vol. 102, Is. 3. - Ст.033114. - ISSN 2469-9926, DOI 10.1103/PhysRevA.102.033114. - ISSN 2469-9934(eISSN)
Примечания : Cited References: 78. - S.B.Z. thanks H. D. Meyer for his helpful instructions of Wigner-DVR in MCTDH. Grants from the National Basic Research Program of China (2017YFA0403200), NSFC (No. 11604197, No. 11974230, and No. 11934004), the Science Challenge Program of China (TZ2018005 and TZ2016005) are acknowledged. V.K. acknowledges financial support from Swedish Research Council (VR) and the Ministry of Science and High Education of Russian Federation, Project No. FSRZ2020-0008.
Предметные рубрики: REAL-TIME OBSERVATION
DYNAMICS
LASER
ULTRAFAST
MOLECULES
Аннотация: he photoexcitation and photodissociation of diatomic molecules by intense pulse lasers has been the subject of extensive investigations over the past decades. However, the usually employed theoretical framework neglects the coupling between the molecular rotational angular momentum (R) and the angular momentum of the electrons projected onto the molecular axis Ω=Λ+Σ, which results in the known Λ-doubling phenomenon in high-resolution electronic spectra of diatomic molecules. While neglecting this coupling is an excellent approximation in the weak-field or perturbative regime owing to the large mass difference between the rotating atoms and the electrons, the approximation breaks down for intense laser pulses because of the repeated Rabi cycling of the electronic transitions, which can have a significant effect on the rotational degrees of freedom of the molecule. By correcting the transition dipole matrix elements and introducing angular basis sets based on Wigner D functions, the conventional theoretical treatment is generalized to a universal description valid for both the weak- and strong-field regimes. The theoretical treatment developed here is applied to the ∣1Σ› to ∣1Π› transitions in diatomic systems. Our results reveal that, for field intensities resulting in about one Rabi cycling for extreme ultraviolet or x-ray transitions, the theoretical predictions by the conventional theoretical frame need to be corrected when considering observables such as the molecular alignment and the angular distribution of the photofragments.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gardymova, Anna P., Krakhalev M. N., Zyryanov V. Ya.
Заглавие : Optical textures and orientational structures in cholesteric droplets with conical boundary conditions
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [18-72-10036]
Место публикации : Molecules. - 2020. - Vol. 25, Is. 7. - Ст.1740. - ISSN 1420-3049(eISSN), DOI 10.3390/molecules25071740
Примечания : Cited References: 53. - The authors are grateful for the financial support by the Russian Science Foundation (grant No. 18-72-10036).
Предметные рубрики: DISPERSED LIQUID-CRYSTALS
CHIRAL NEMATIC DROPLETS
IONIC MODIFICATION
Аннотация: Cholesteric droplets dispersed in polymer with conical boundary conditions have been studied. The director configurations are identified by the polarising microscopy technique. The axisymmetric twisted axial-bipolar configuration with the surface circular defect at the droplet’s equator is formed at the relative chirality parameter N0≤2.9 . The intermediate director configuration with the deformed circular defect is realised at 2.9N03.95 , and the layer-like structure with the twisted surface defect loop is observed at N0≥3.95 . The cholesteric layers in the layer-like structure are slightly distorted although the cholesteric helix is untwisted.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko, Yu. G., Sal'nikova E. I., Basova S. A., Molokeev M. S., Krylov A. S., Aleksandrovsky A. S., Oreshonkov A. S., Atuchin V. V., Volkova S. S., Khritokhin N. A., Andreev O. V.
Заглавие : Synthesis of samarium oxysulfate Sm2O2SO4 in the high-temperature oxidation reaction and its structural, thermal and luminescent properties
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-02-00754, 18-32-20011]; Russian Science FoundationRussian Science Foundation (RSF) [19-42-02003]
Место публикации : Molecules. - 2020. - Vol. 25, Is. 6. - Ст.1330. - ISSN 1420-3049(eISSN), DOI 10.3390/molecules25061330
Примечания : Cited References: 56. - This research was funded by the Russian Foundation for Basic Research (Grants 18-02-00754, 18-32-20011) and Russian Science Foundation (project 19-42-02003).
Предметные рубрики: RARE-EARTH SULFATES
SPECTROSCOPIC PROPERTIES
OXYGEN-STORAGE
LN
LA
Аннотация: The oxidation process of samariumoxysulfide was studied in the temperature range of 500–1000 °C. Our DTA investigation allowed for establishing the main thermodynamic (∆Hºexp = −654.6 kJ/mol) and kinetic characteristics of the process (Ea = 244 kJ/mol, A = 2 × 1010). The enthalpy value of samarium oxysulfate (ΔHºf (Sm2O2SO4(monocl)) = −2294.0 kJ/mol) formation was calculated. The calculated process enthalpy value coincides with the value determined in the experiment. It was established that samarium oxysulfate crystallizes in the monoclinic symmetry class and its crystal structure belongs to space group C2/c with unit cell parameters a = 13.7442 (2), b = 4.20178 (4) and c = 8.16711 (8)Å, β = 107.224 (1)°, V = 450.498 (9)Å3, Z = 4. The main elements of the crystalline structure are obtained and the cation coordination environment is analyzed in detail. Vibrational spectroscopy methods confirmed the structural model adequacy. The Sm2O2SO4 luminescence spectra exhibit three main bands easily assignable to the transitions from 4G5/2 state to 6H5/2, 6H7/2, and 6H9/2 multiplets.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Solovyov, Leonid A., Vereshchagin, Sergey N., Gavrilkin, Sergey Yu., Tsvetkov, Alexey Yu., Velikanov D. A., Gorev M. V., Novikov, Sergey V., Ovchinnikov S. G.
Заглавие : Effect of multiplicity fluctuation in cobalt ions on crystal structure, magnetic and electrical properties of NdCoO3 and SmCoO3
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [18-02-00022]
Место публикации : Molecules. - 2020. - Vol. 25, Is. 6. - Ст.1301. - ISSN 1420-3049(eISSN), DOI 10.3390/molecules25061301
Примечания : Cited References: 56. - This work is supported by the Russian Science Foundation grant 18-02-00022.
Предметные рубрики: SPIN-STATE TRANSITIONS
CO3+ ION
CONDUCTIVITY
TEMPERATURE
BEHAVIOR
Аннотация: The structural, magnetic, electrical, and dilatation properties of the rare-earth NdCoO3 and SmCoO3 cobaltites were investigated. Their comparative analysis was carried out and the effect of multiplicity fluctuations on physical properties of the studied cobaltites was considered. Correlations between the spin state change of cobalt ions and the temperature dependence anomalies of the lattice parameters, magnetic susceptibility, volume thermal expansion coefficient, and electrical resistance have been revealed. A comparison of the results with well-studied GdCoO3 allows one to single out both the general tendencies inherent in all rare-earth cobaltites taking into account the lanthanide contraction and peculiar properties of the samples containing Nd and Sm.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Konkolovich A. V., Miskevich A. A., Krakhalev M. N., Prishchepa O. O., Shabanov A. V., Zyryanov V. Ya., Loiko V. A.
Заглавие : Model to describe light scattering by polymer film containing droplets with inhomogeneous anchoring of liquid crystal molecules at the polymer-droplet interface: asymmetry effect in the angular distribution of light
Коллективы : Belarusian Republican Foundation for Fundamental Research [F18RA-003]; Krasnoyarsk Regional Science Foundation [18-42-243006]
Место публикации : Liq. Cryst. - 2019. - Vol. 46, Is. 9. - P.1415-1427. - ISSN 0267-8292, DOI 10.1080/02678292.2019.1573331. - ISSN 1366-5855(eISSN)
Примечания : Cited References: 67. - The work was performed in the framework of an agreement on inter-academic cooperation between the National Academy of Sciences of Belarus and the SB RAS. It is supported by the Belarusian Republican Foundation for Fundamental Research (Project No. F18RA-003). MN Krakhalev thanks the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory and the Krasnoyarsk Regional Science Foundation (grant No. 18-42-243006).
Предметные рубрики: IONIC MODIFICATION
NEMATIC DROPLETS
COHERENT TRANSMITTANCE
Аннотация: A model to describe light scattering by polymer film containing of monolayer of liquid crystal droplets with inhomogeneous anchoring of liquid crystal molecules at the polymer-droplet interface is developed. It is based on the interference approximation of the wave scattering theory. The director field distribution in the droplet volume is determined by solving the free energy density minimization problem using the relaxation method. The spatial distribution of droplets in the layer is described by the hard disks model. The amplitude scattering matrices of individual droplets are found in the anomalous diffraction approximation. The algorithm for numerical analysis of the characteristics of light scattered in a polymer film containing droplets at homogeneous and inhomogeneous surface anchoring is described in terms of the partial filling factors of the monolayer film. Electrically controllable symmetry breaking effect of angular distribution of light scattered by films containing droplets with inhomogeneous anchoring at the polymer-droplet interface is described and experimentally confirmed.
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov A. S., Lukyanenko A. V., Smolyarova T. E., Shanidze L. V., Yakovlev I. A., Volkov N. V.
Заглавие : Silicon nanowire based biosensor for detection of organic molecules
Коллективы : Aptamers in Russia, international conference
Место публикации : Aptamers in Russia, international conference (1 ; 2019 ; Aug. 27-30 ; Krasnoyarsk). Molecular Therapy - Nucleic Acids: book of abstracts of the 1st Int. conf. "Aptamers in Russia 2019". - 2019. - Vol. 17, Suppl. 1. - P.4-5
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Температурные зависимости показателей преломления одноосных каламитных жидких кристаллов с высоким двупреломлением
Место публикации : Жидк. кристаллы и их практич. использ. - 2018. - Т. 18, № 2. - С. 53-63. - ISSN 1991-3966, DOI 10.18083/LCAppl.2018.2.53; Liq. Cryst. Appl.
Примечания : Библиогр.: 29
Предметные рубрики: PHASE-TRANSITION
ORIENTATIONAL ORDER
ISOTROPIC LIQUID
MOLECULES
Ключевые слова (''Своб.индексиров.''): жидкие кристаллы--температурные зависимости показателей преломления--liquid crystals--temperature dependences of the refractive indices
Аннотация: Температурные зависимости показателей преломления nj(t) и величин n(t) = (n|| + 2n⊥)/3, n(t) =ε-1/2, ε= (ε|| + 2ε⊥)/3, εj = nj2 для световых волн с поляризацией вдоль (j = ||) и нормально директору (j = ⊥) в одноосных каламитных жидких кристаллах (ЖК) исследованы в рамках микроскопического подхода с учетом анизотропии тензора локального поля fj(t) =1 + Lj(t)[εj(t)–1] и тензора Лорентца Lj(t). Показано, что известные отрицательные производные n(t)' = dn(t)/dt, n' и точка to минимума на зависимости n⊥(t) в каламитных ЖК отвечают малым и средним значениям двупреломления Δn = n|| – n⊥. Для ЖК с высокими величинами Δn и компонентами L⊥, превышающими пороговое значение L⊥e(nj), предсказаны два новых эффекта: положительные значения n', и наличие точки te максимума на зависимости n||(t). Для ряда нематиков с высокими значениями Δn определены компоненты Lj(t), подтверждено наличие предсказанных эффектов и условий их проявления, получены значения te и прослежена их связь с величиной Δn. Выяснены особенности перехода от ЖК с точкой to к ЖК с точкой te по мере роста Δn.The temperature dependences of the refractive indices nj(t) and the values n(t) = (n|| + 2n⊥)/3, n(t) =ε-1/2, ε= (ε|| + 2ε⊥)/3, εj = nj2 for the light waves polarized along (j = ||) and across (j = ⊥) the director in uniaxial calamitic liquid crystals (LCs) were studied within the microscopic approach with taking into account the anisotropy of the local-field tensor fj(t) =1 + Lj(t)[εj(t)–1] and the Lorentz tensor Lj(t). The known negative derivatives n(t)' = dn(t)/dt, n' and the point to of minimum at the dependence n⊥(t) for calamite LCs were shown to correspond to small and medium values of the birefringence Δn = n|| – n⊥. For LCs with high values of δn and components L⊥ exceeding the threshold value L⊥e two new effects were predicted: positive derivatives n', and the presence of the point te of maximum at the dependence n||(t). For a number of nematics with high values of Δn the components Lj(t) were determined, the presence of the predicted effects and the conditions for their manifestation were confirmed, the values te were obtained and their connection with the magnitude Δn were established. The features of the transition from LCs with point to to LCs with point c under gradual increase in Δn were cleared up.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Изменение плотности молекулярной поляризуемости и характер фазового перехода смектик А - кристалл В в жидком кристалле 2О.2С
Место публикации : Жидк. кристаллы и их практич. использ. - 2017. - Т. 17, Вып. 3. - С. 50-58. - ISSN 1991-3966, DOI 10.18083/LCAppl.2017.3.50; \b Liquid Crystals and their Application
Примечания : Библиогр.: 29. - Данная работа выполнена в рамках проекта 0356-2015-0412 Комплексной программы Сибирского отделения РАН № II.2П.
Ключевые слова (''Своб.индексиров.''): polarizability of mesogenic molecules--phase transitions in liquid crystals--intermolecular interactions--поляризуемость мезогенных молекул--фазовые переходы в жидких кристаллах--межмолекулярные взаимодействия
Аннотация: Компоненты плотности молекулярной поляризуемости (Gj = γj/v) для световых волн, поляризованных вдоль (j = ||) и поперек (j = ⊥ ) оптической оси одноосного жидкого кристалла, связаны с компонентами поляризуемости (γj) и объемом (v), приходящимся на молекулу в среде. В данной работе определены зависимости величин Gγ (компонент Gj, среднего значения Gm и анизотропии Gα) от температуры и длины световой волны (λ) в смектической А и кристаллической В фазах жидкого кристалла этил-п-(4-этоксибензилиденамино)циннамата. Для обеих фаз получены температурные зависимости эффективных длин волн λγ электронных переходов, определяющих дисперсию Gγ(λ) в видимой области. Установлена связь величин λγ с характеристиками реальных электронных переходов (длинами волн, силами осцилляторов и поляризацией) и параметром ориентационного порядка молекул (S). С использованием значений Gγ(T) и λγ(T) показано, что фазовый переход «смектик А – кристалл В» сопровождается слабым изменением S, снижением анизотропии поляризуемости молекул и изменением поляризации электронных переходов.Components of the molecular polarizability density (Gj = γj/v) for light waves polarized along (j = ||) and across (j = ⊥) the optical axis of uniaxial liquid crystal are related to the components of polarizability ( γj) and the volume per molecule in the medium (v). In this work, the dependences of Gr (components Gj, mean value Gm and anisotropy Ga) on temperature and light wavelength (λ) were determined for smectic A and crystal B phases of liquid crystalline ethyl-p-(4-etoxybenzylideneamino)cinnamate. The temperature dependences of the effective wavelengths ( λr) for electronic transitions which are responsible for dispersion Gr(λ) in the visible range were obtained in both phases. The relation between the values of λr and the characteristics of real electronic transitions (wavelengths, oscillator strengths and polarizations) and the orientational order parameter (S) of molecules was established. Using the values Gr and λr it was revealed that the smectic A - crystal B phase transition is accompanied by very small change of S, decrease in the anisotropy of molecular polarizability and change of the polarization of electronic transitions.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аверьянов, Евгений Михайлович
Заглавие : Изменение поляризуемости молекул при фазовых переходах изотропная жидкость – нематик – смектик A – кристалл B в жидком кристалле 4O.8
Место публикации : Жидк. кристаллы и их практич. использ. - 2017. - Т. 17, Вып. 2. - С. 6-13. - ISSN 19913966 (ISSN), DOI 10.18083/LCAppl.2017.2.6; \b Liquid Crystals and their Application
Примечания : Библиогр.: 24. - Данная работа выполнена в рамках проекта 0356-2015-0411 Комплексной программы Сибирского отделения РАН № II.2П.
Ключевые слова (''Своб.индексиров.''): поляризуемость мезогенных молекул--фазовые переходы в жидких кристаллах--конформация молекул--межмолекулярные взаимодействия--polarizability of mesogenic molecules--phase transitions in liquid crystals--molecular conformation--intermolecular interactions
Аннотация: Определены температурные зависимости параметров молекулярной поляризуемости (продольной и поперечной компонент, среднего значения и анизотропии) в нематической, смектической А и кристаллической В фазах жидкого кристалла 4-бутилоксибензилиден-4'-октиланилина. Для нематической фазы установлены предсказанные ранее нелинейные зависимости параметров поляризуемости от параметра ориентационного порядка молекул. Обнаружено влияние конденсации одномерной волны плотности при переходе нематик – смектик А и квазидвумерной кристаллизации слабо связанных слоев при переходе смектик А – кристалл В на изменение параметров поляризуемости. Установлена связь изменений поляризуемости в каждой фазе с изменением конформации ароматических остовов молекул и межмолекулярными взаимодействиями.The temperature dependences of molecular polarizability parameters (longitudinal and transverse components, mean value and anisotropy) were determined in nematic, smectic A and crystalline B phases of 4-butyloxybenzylidene-4'-octylaniline (4O.8) liquid crystal. For the nematic phase, the earlier predicted nonlinear dependences of polarizability parameters on the orientational order parameter were revealed. The influence of the one-dimensional density-wave condensation at the nematic - smectic A phase transition and the quasi-twodimensional crystallization of weekly-connected smectic layers at the smectic A - crystal B phase transition on polarizability parameters was discovered. It was established that the changes of polarizability parameters within each phase of the studied liquid crystal are connected either with the change in the conformation of the aromatic molecular cores or with intermolecular interactions.
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