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Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Physica status solidi B - Basic Solid State Physics. - 2009. - Т. 246, № 11-12. - P. 2598-2601, DOI 10.1002/pssb.200982285 . - ISSN 0370-1972. - ISSN 1521-3951

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Держатели документа:
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Krasnoyarsk Railway Transport Institute
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Sadreev, A. F.; Садреев, Алмаз Фаттахович
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
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Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects / P. V. Artyushenko [et al.] // J. Struct. Chem. - 2016. - Vol. 57, Is. 2. - P. 287-293, DOI 10.1134/S0022476616020074. - Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132. . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
Monochamus-galloprovincialis coleoptera
   Density-functional theories
   Beetle Ips-typographus
   Pine sawyer beetle
   Aggregation pheromone
   Cerambycidae
   Attraction
   Components
   Attack
   Set
Кл.слова (ненормированные):
atomic and electronic structure -- functional density methods -- absorption -- spectra -- excited states -- xylophages -- pheromones
Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.

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Публикация на русском языке Влияние атомной и электронной структуры молекул феромонов на эффективность коммуникации насекомых-ксилофагов [Текст] / П. В. Артюшенко [и др.] // Журн. структ. химии. - 2016. - Т. 57 № 2. - С. 304-310

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, KSC Presidium, Int Res Ctr Studies Extreme States Organism, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Sukachev Inst Forest, Krasnoyarsk, Russia.

Доп.точки доступа:
Artyushenko, P. V.; Артюшенко, Полина Владимировна; Tomilin, F. N.; Томилин, Феликс Николаевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Tsikalova, P. E.; Ovchinnikova, T. M.; Soukhovolsky, V. G.; RFBR [13-04-00375, 16-04-00132]
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    Anisotropic thermal expansion and electronic structure of LiInSe2 / V. V. Atuchin, L. I. Isaenko, S. I. Lobanov [et al.] // Molecules. - 2022. - Vol. 27, Is. 16. - Ст. 5078, DOI 10.3390/molecules27165078. - 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 . - ISSN 1420-3049
   Перевод заглавия: Тепловое расширение и электронная структура LiInSe2
Кл.слова (ненормированные):
LiInSe2 -- crystal growth -- thermal expansion -- band structure -- XPS -- DFT
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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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, 630073, Russian Federation
R&D Center "Advanced Electronic Technologies", Tomsk State University, Tomsk, 634034, Russian Federation
Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport UniversityKhabarovsk 680021, Russian Federation
Australian Science and Technology Organisation (ANSTO), Lucas Heights, Australia
Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China
University of the Chinese Academy of SciencesBeijing 100049, China

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Lobanov, S. I.; Goloshumova, A. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, Z.; Zhang, X.; Jiang, X.; Lin, Z.
}
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Aver'yanov, E. M.
Change in the polarizability of MBBA molecules upon the nematic-isotropic liquid transition and physical consequences / E. M. Aver'yanov // Phys. Solid State. - 2013. - Vol. 55, Is. 10. - P. 2136-2141, DOI 10.1134/S106378341310003X . - ISSN 1063-7834
Аннотация: The Lorentz tensor components Lj and the polarizability tensor components ?j of 4-methoxyben-zylidene-4?-butylaniline (MBBA) liquid crystal molecules in nematic and isotropic phases have been determined experimentally. The quadratic dependences of the mean value ?(S) and anisotropy ??(S) of the polarizability in the nematic phase on the orientational order parameter S of molecules have been established. Within the phenomenological approach, the dependences ?(S) and ??(S) have been derived, and their features for MBBA and other known objects have been interpreted. The relation of the dependences ?(S) and ??(S) to the features of the nematic-isotropic liquid phase transition has been found. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Изменение поляризуемости молекул МВВА при переходе нематик-изотропная жидкость и физические следствия / Е. М. Аверьянов // Физика твердого тела. - 2013. - Т. 55, вып. 10. - С. 2020-2025

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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Aver'yanov, E. M.
Change in the polarizability of molecules at the phase transitions isotropic liquid -nematic - smectic-A - crystal-B in liquid crystal 4О.8 / E. M. Aver'yanov // 14th Eur. Conf. Liq. Cryst. (ECLC) : conf. programme / чл. нац. орг. и прогр. ком. V. Ya. Zyryanov. - 2017. - Ст. P3. - Библиогр.: . - Poster

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Zyryanov, V. Ya. \чл. нац. орг. и прогр. ком.\; Зырянов, Виктор Яковлевич; Аверьянов, Евгений Михайлович; European Conference on Liquid Crystals(14 ; 2017 ; June ; 25-30 ; Moscow); Московский государственный университет им. М.В. Ломоносова
}
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Aver'yanov, E. M.
Change in the spectrum of the polarizability density of molecules at the smectic-A - crystal-B phase transition / E. M. Aver'yanov // 14th Eur. Conf. Liq. Cryst. (ECLC) : conf. programme / чл. нац. орг. и прогр. ком. V. Ya. Zyryanov. - 2017. - Ст. P4. - Библиогр.: . - Poster

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Материалы конференции

Доп.точки доступа:
Zyryanov, V. Ya. \чл. нац. орг. и прогр. ком.\; Зырянов, Виктор Яковлевич; Аверьянов, Евгений Михайлович; European Conference on Liquid Crystals(14 ; 2017 ; June ; 25-30 ; Moscow); Московский государственный университет им. М.В. Ломоносова
}
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Averyanov, E. M.
Character of the N-D-D-h(0,d) phase transition in diskotic liquid crystals / E. M. Averyanov // JETP Letters. - 1996. - Vol. 63, Is. 1. - P. 33-37, DOI 10.1134/1.566959. - Cited References: 20 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULES
   CONSTANTS
   SPLAY
   BEND
Аннотация: The first experimental data on the orientational ordering of a diskotic reentrant nematic N-D are presented. The data show that the phase transition N-D-D-h(0,D-d) is a strong first-order transition with a large jump Delta S similar or equal to 0.2 in the orientational order parameter S of the molecules. This indicates an anomalously strong coupling between the columnar and orientational ordering of the molecules and explains the absence of fluctuational divergence of the elastic moduli K-11 and K-22 in the nematic phase near this transition. (C) 1996 American Institute of Physics.

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Aver'yanov, E. M.
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Characterizing aptamer interaction with the oncolytic virus VV-GMCSF-Lact / M. A. Dymova, D. O. Malysheva, V. K. Popova [et al.] // Molecules. - 2024. - Vol. 29, Is. 4. - Ст. 848, DOI 10.3390/molecules29040848. - 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) . - ISSN 1420-3049
Кл.слова (ненормированные):
aptamer -- oncolytic virus -- glioma -- dynamic light scattering -- microscale thermophoresis
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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Держатели документа:
Institute of Chemical Biology and Fundamental Medicine, Siberian Branch of the Russian Academy of Sciences, Lavrentiev av. 8, 630090 Novosibirsk, Russia
Department of Natural Sciences, Novosibirsk State University, Pirogova str. 1, 630090 Novosibirsk, Russia
State Research Center of Virology and Biotechnology “Vector”, 630559 Koltsovo, Russia
Laboratory for Biomolecular and Medical Technologies, Krasnoyarsk State Medical University Named after Prof. V.F. Voyno-Yasenetsky, Partizana Zheleznyaka str. 1, 660022 Krasnoyarsk, Russia
Federal Research Center KSC SB RAS, 50 Akademgorodok, 660036 Krasnoyarsk, Russia
Kirensky Institute of Physics, 50/38 Akademgorodok, 660012 Krasnoyarsk, Russia

Доп.точки доступа:
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.; Томилин, Феликс Николаевич; Kichkailo, A. S.; Richter, V. A.; Kuligina, E. V.
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10.

Contribution of the multiplicity fluctuation in the temperature dependence of phonon spectra of rare-earth cobaltites / Y. S. Orlov, A. E. Sokolov, V. A. Dudnikov [et al.] // Molecules. - 2020. - Vol. 25, Is. 18. - Ст. 4316, DOI 10.3390/molecules25184316. - 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” . - ISSN 1420-3049
Кл.слова (ненормированные):
Rare-earth cobalt oxides -- Multiplicity fluctuations -- Phonon spectra
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Shulga, K. V.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Shestakov, N. P.; Шестаков, Николай Петрович; Vysotin, M. A.; Высотин, Максим Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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