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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antipina L. Yu., Tomilin F. N., Vysotski E. S., Ovchinnikov S. G.
Заглавие : A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin
Место публикации : J. Struct. Chem.: Springer, 2011. - Vol. 52, Is. 5. - P.870-875. - ISSN 0022-4766
Примечания : Cited References: 19. - The work was supported by RFBR (07-04-00930-a), the "Molecular and Cell Biology" Program of the Presidium of the Russian Academy of Sciences, and the Program of the Siberian Division of the Russian Academy of Sciences (project No. 2) within the implementation of the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2010" (P333 and P213).
Предметные рубрики: CALCIUM-DISCHARGED OBELIN
SEMIEMPIRICAL METHODS
1.7 ANGSTROM
OPTIMIZATION
PARAMETERS
MECHANISM
FLUORESCENCE
ELEMENTS
PROTEIN
EMITTER
Ключевые слова (''Своб.индексиров.''): coelenterazine--2-hydroperoxy-coelenterazine--obelia longissima--renilla muelleri
Аннотация: The Ca2+-regulated photoprotein obelin determines the luminescence of the marine hydroid Obelia longissima. Bioluminescence is initiated by calcium and appears as a result of the oxidative decarboxylation related to the coelenterazine substrate. The luciferase of the luminescent marine coral Renilla muelleri (RM) also uses coelenterazine as a substrate. However, three proteins are involved in the in vivo bioluminescence of these animals: luciferase, green fluorescent protein, and Ca2+-regulated coelenterazine-binding protein (CBP). In fact, CBP that contains one strongly bound coelenterazine molecule is the RM luciferase substrate in the in vivo bioluminescent reaction. Coelenterazine becomes available for oxygen and the reaction with luciferase only after binding CBP with calcium ions. Unlike Ca2+-regulated photoproteins, the coelenterazine molecule is not activated by oxygen in the CBP molecule. In this work, by means of quantum chemical methods the behavior of substrates in these proteins is analyzed. It is shown that coelenterazine can form different tautomers: CLZ(2H) and CLZ(7H). The formation of 2-hydroperoxy-coelenterazine is studied. According to the obtained data, these proteins use different forms of the substrates for the reaction. In obelin, the substrate is in the CLZ(2H) form that affords hydrogen peroxide. In RM, coelenterazine is in the CLZ(7H) form, and therefore, CBP is not activated by oxygen.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Efremov D. V., Mar'enko M. S., Val'kov V. V.
Заглавие : Superconductivity in repulsive fermi-systems at low density
Коллективы : RFBR [11-02-00741]
Место публикации : J. Supercond. Nov. Magn.: SPRINGER, 2013. - Vol. 26, Is. 9. - P.2809-2815. - ISSN 1557-1939, DOI 10.1007/s10948-013-2262-9
Примечания : Cited References: 57. - The authors acknowledge helpful discussions with A. V. Chubukov, A. S. Alexandrov, V. V. Kabanov, K. I. Kugel, Yu. V. Kopaev, N.M. Plakida, N.V. Prokof'ev, M. M. Korovushkin, M. A. Mitskan. M. Yu. K. work was supported by RFBR grant No. 11-02-00741.
Предметные рубрики: T-J MODEL
SUPERFLUID TRANSITION-TEMPERATURE
FRACTIONAL-STATISTICS
PHASE-SEPARATION
HUBBARD-MODEL
GAS
ENHANCEMENT
MECHANISM
EXCHANGE
PARTICLES
Ключевые слова (''Своб.индексиров.''): anomalous superconductivity--p-wave and d-wave pairings--kohn-luttinger mechanism--shubin-vonsovsky--hubbard and t-j models
Аннотация: In the large variety of models such as 3D and 2D Fermi-gas model with hard-core repulsion, 3D and 2D Hubbard model, and the Shubin-Vonsovsky model, we demonstrate the possibility of triplet p-wave pairing at low electron density. We show that the critical temperature of the p-wave pairing can be strongly increased in a spin-polarized case or in a two-band situation already at low density and reach experimentally feasible values of (1-5) K. We also discuss briefly d-wave pairing and high-T-C superconductivity with T-C similar to 100 K, which arises in the 2D t-J model in the range of parameters realistic for cuprates.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Efremov D. V., Mar'enko M. S., Val'kov V. V.
Заглавие : Kohn-Luttinger effect and anomalous pairing in repulsive Fermi-systems at low density : Review Article
Место публикации : Low Temp. Phys.: American Institute of Physics, 2012. - Vol. 38, Is. 9. - P.874-879. - ISSN 1063-777X, DOI 10.1063/1.4752091
Примечания : Cited References: 59. - We acknowledge helpful discussions with A. V. Chubukov, A. S. Alexandrov, V. V. Kabanov, K. I. Kugel, Yu. V. Kopaev, N. M. Plakida, and N. V. Prokof'ev. M. Yu. K's work was supported by RFBR Grant No 11-02-00741-a.
Предметные рубрики: T-J MODEL
SUPERFLUID TRANSITION-TEMPERATURE
2-BAND HUBBARD-MODEL
LOW ELECTRON-DENSITY
FRACTIONAL-STATISTICS
PHASE-SEPARATION
SUPERCONDUCTIVITY
GAS
ENHANCEMENT
MECHANISM
Ключевые слова (''Своб.индексиров.''): d-wave superconductivity--electron density--electron spin polarisation--high-temperature superconductors--hubbard model--superconducting transition temperature--t-j model--two-dimensional electron gas
Аннотация: We demonstrate the possibility of triplet p-wave pairing at low electron density a large number of models such as 3D and 2D Fermi-gas models with hard-core repulsion, 3D and 2D Hubbard models, and the Shubin-Vonsovsky model. The critical temperature for p-wave pairing can be considerably higher in the spin-polarized case or even in a two-band situation at low density and can reach experimentally observable values of 1–5 K. We also discuss briefly the d-wave pairing and high-Tc superconductivity with Tc ∼ 100 K which arise in the extended Hubbard model and in the generalized t-Jmodel when close to half-filling.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Ovchinnikova T. M., Dyad'kov P. G., Plotkin V. V., Litasov K. D.
Заглавие : Metallic layer in the Earth's lower mantle
Место публикации : JETP Letters. - 2012. - Vol. 96, Is. 2. - P.129-132. - ISSN 0021-3640, DOI 10.1134/S002136401214010X
Примечания : Cited References: 25. - We are thankful to Dr. V. I. Anisimov for discussions. This work was supported by the Presidium of the Russian Academy of Sciences (project no. 2.16); Siberian Branch, Russian Academy of Sciences (project nos. 96 and 97); and Russian Foundation for Basic Research (project no. 12-02-90410).
Предметные рубрики: ELECTRICAL-CONDUCTIVITY
MAGNESIOWUSTITE
MECHANISM
CORE
Аннотация: We predict the insulator-metal-insulator transitions for the temperature and pressure of the lower mantle with the metal layer thickness Delta h a parts per thousand 400 km at the depth of 1400-1800 km. The insulator-metal transition has the Mott-Hubbard origin, while the second transition from metal to insulator results from spin crossover of the Fe2+ ions from high spin S = 2 to low spin S = 0 state. The conductivity in the metal layer may attain 250 S/m. The depth profile of the conductivity is also suggested.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkov N. V., Rautskiy M. V., Eremin E. V., Patrin G. S., Kim P. D., Lee C. G.
Заглавие : Response of a manganite-based magnetic tunnel structure to microwave radiation
Место публикации : J. Phys. D. - 2012. - Vol. 45, Is. 25. - Ст.255301. - ISSN 0022-3727, DOI 10.1088/0022-3727/45/25/255301
Примечания : Cited References: 20. - This study was supported by the Russian Foundation for Basic Research, project no 11-02-00367-a; the Presidium of the Russian Academy of Sciences, program Fundamentals for Basic Research of Nanotechnology and Nanomaterials, project no 21.1; the Division of Physical Sciences of the Russian Academy of Sciences, program Spin-Dependent Effects in Solids and Spintronics, project no 2.4.4.1; the Siberian Branch of the Russian Academy of Sciences, integration projects nos 5 and 134; and the Federal target program Scientific and Pedagogical Personnel of Innovative Russia (State contract no NK-556P_15).
Предметные рубрики: IDENTICAL METALS
JUNCTIONS
RECTIFICATION
SPINTRONICS
MECHANISM
Аннотация: We demonstrate that a magnetic tunnel structure irradiated by microwaves can generate a typical voltage signal due to the rectification effect. We performed measurements in current-in-plane geometry when a current flows parallel to the interfaces in the structure. The value of the microwave-induced voltage strongly depends on the bias current and can be driven by a magnetic field. The rectification effect is discussed both in classical terms of nonlinearity of the current-voltage characteristics and within the mechanism involving the interplay between the spin-polarized current and the magnetization dynamics in the magnetic tunnel structure.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Val'kov V. V., Mitskan V. A., Korovushkin M. M.
Заглавие : The Kohn-Luttinger superconductivity in idealized doped graphene
Коллективы : Program of the Division of Physical Sciences of the Russian Academy of Sciences [11.3.1]; Russian Foundation for Basic Research [14-02-00058, 14-02-31237]; Council of the President of the Russian Federation [MK-526.2013.2]; Dynasty Foundation
Место публикации : Solid State Commun.: PERGAMON-ELSEVIER SCIENCE LTD, 2014. - Vol. 188. - P.61-66. - ISSN 0038-1098, DOI 10.1016/j.ssc.2014.03.001. - ISSN 1879-2766
Примечания : Cited References: 31. - This work was supported by the Program of the Division of Physical Sciences of the Russian Academy of Sciences (Project 11.3.1), and the Russian Foundation for Basic Research (Projects 14-02-00058 and 14-02-31237). One of the authors (M.M.K.) acknowledges the support of the Council of the President of the Russian Federation (Project MK-526.2013.2), and the Dynasty Foundation.
Предметные рубрики: REPULSIVE INTERACTIONS
HUBBARD-MODEL
SUPERFLUIDITY
INSTABILITY
MECHANISM
DENSITY
SYSTEMS
Ключевые слова (''Своб.индексиров.''): graphene--superconductivity
Аннотация: Idealized graphene monolayer is considered neglecting the van der Waals potential of the substrate and the role of the nonmagnetic impurities. The effect of the long-range Coulomb repulsion in an ensemble of Dirac fermions on the formation of the superconducting pairing in a monolayer is studied in the framework of the Kohn-Luttinger mechanism. The electronic structure of graphene is described in the strong coupling Wannier representation on the hexagonal lattice. We use the Shubin-Vonsowsky model which takes into account the intra- and intersite Coulomb repulsions of electrons. The Cooper instability is established by solving the Bethe-Salpeter integral equation, in which the role of the effective interaction is played by the renormalized scattering amplitude. The renormalized amplitude contains the Kohn-Luttinger polarization contributions up to and including the second-order terms in the Coulomb repulsion. We construct the superconductive phase diagram for the idealized graphene monolayer and show that the Kohn-Luttinger renormalizations and the intersite Coulomb repulsion significantly affect the interplay between the superconducting phases with f-, d+id-, and p+ip-wave symmetries of the order parameter. (C) 2014 Elsevier Ltd. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Misjul S. V., Flerov I. N., Laptash N. M.
Заглавие : Reconstructive phase transition in (NH4)3TiF7 accompanied by the ordering of TiF6 octahedra
Место публикации : Acta Crystallogr. B: Wiley-Blackwell, 2014. - Vol. 70. - P.924-931. - ISSN 0108-7681, DOI 10.1107/S2052520614021192. - ISSN 1600-5740
Примечания : This study was supported by Russian Fund of Basic Research, project No. 12-02-00056 a
Предметные рубрики: CRYSTAL-STRUCTURE
NEUTRON-DIFFRACTION
POWDER DIFFRACTION
FLUORIDES
DISORDER
MECHANISM
PATHWAYS
COMPLEX
LI3THF7
ALPHA
Ключевые слова (''Своб.индексиров.''): reconstructive phase transition--ammonium heptafluorotitanate--order-disorder transition
Аннотация: An unusual phase transition P4/mnc →Pa3 has been detected after cooling the (NH4)3TiF7 compound. Some TiF6 octahedra, which are disordered in the room-temperature tetragonal structure, become ordered in the low-temperature cubic phase due to the disappearance of the fourfold axis. Other TiF6 octahedra undergo large rotations resulting in huge displacements of the F atoms by 1.5-1.8 Å that implies a reconstructive phase transition. It was supposed that phases P4/mbm and Pm3m could be a high-temperature phase and a parent phase, respectively, in (NH4)3TiF7. Therefore, the sequence of phase transitions can be written as Pm3m → P4/bm → P4/mnc → Pa3. The interrelation between (NH4)3TiF7, (NH4)3GeF7 and (NH4)3PbF7 is found, which allows us to suppose phase transitions in relative compounds.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Alieva R. R., Tomilin F. N., Kuzubov A. A., Ovchinnikov S. G., Kudryasheva N. S.
Заглавие : Ultraviolet fluorescence of coelenteramide and coelenteramide-containing fluorescent proteins. Experimental and theoretical study
Место публикации : J. Photochem. Photobiol. B Biol.: Elsevier, 2016. - Vol. 162. - P.318-323. - ISSN 10111344 (ISSN), DOI 10.1016/j.jphotobiol.2016.07.004
Примечания : Cited References: 49. - This work was supported by the state budget allocated to the fundamental research at the Russian Academy of Sciences (project No 01201351504); the Russian Foundation for Basic Research, Grant No 15-43-04377-sibir; and Russian president's grant NSh-7559.2016.2.
Предметные рубрики: DENSITY-FUNCTIONAL THEORY
ELECTRON-EXCITED-STATES
PHOTOPROTEIN OBELIN
DISCHARGED-OBELIN
LIGHT-EMITTERS
BIOLUMINESCENCE
AEQUORIN
LUMINESCENCE
MECHANISM
CHEMILUMINESCENCE
Ключевые слова (''Своб.индексиров.''): coelenteramide--fluorescent protein--discharged photoproteins--obelin--aequorin--fluorescence--excitation energy--fluorescence--b3lyp
Аннотация: Coelenteramide-containing fluorescent proteins are products of bioluminescent reactions of marine coelenterates. They are called ‘discharged photoproteins’. Their light-induced fluorescence spectra are variable, depending considerably on external conditions. Current work studies a dependence of light-induced fluorescence spectra of discharged photoproteins obelin, aequorin, and clytin on excitation energy. It was demonstrated that photoexcitation to the upper electron-excited states (260–300 nm) of the discharged photoproteins initiates a fluorescence peak in the near UV region, in addition to the blue-green emission. To characterize the UV fluorescence, the light-induced fluorescence spectra of coelenteramide (CLM), fluorophore of the discharged photoproteins, were studied in methanol solution. Similar to photoproteins, the CLM spectra depended on photoexcitation energy; the additional peak (330 nm) in the near UV region was observed in CLM fluorescence at higher excitation energy (260–300 nm). Quantum chemical calculations by time depending method with B3LYP/cc-pVDZ showed that the conjugated pyrazine-phenolic fragment and benzene moiety of CLM molecule are responsible for the additional UV fluorescence peak. Quantum yields of CLM fluorescence in methanol were 0.028 ± 0.005 at 270–340 nm photoexcitation. A conclusion was made that the UV emission of CLM might contribute to the UV fluorescence of the discharged photoproteins. The study develops knowledge on internal energy transfer in biological structures – complexes of proteins with low-weight aromatic molecules. © 2016 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Fedorov D. A., Kuzubov A. A., Avramov P. V., Nishimura Y., Irle S., Witek H. A.
Заглавие : Relative Isomer Abundance of Fullerenes and Carbon Nanotubes Correlates with Kinetic Stability
Разночтения заглавия :авие SCOPUS: Relative isomer abundance of fullerenes and carbon nanotubes correlates with kinetic stability
Место публикации : Phys. Rev. Lett.: AMER PHYSICAL SOC, 2011. - Vol. 107, Is. 17. - Ст.175506. - ISSN 0031-9007, DOI 10.1103/PhysRevLett.107.175506
Примечания : Cited References: 29. - S. I, P. V. A, and A. S. F gratefully acknowledge generous hospitality during their visits to Krasnoyarsk (S. I) and Fukui Institute for Fundamental Chemistry in Kyoto and Nagoya University (P. V. A and A. S. F) under support of the joint JSPS-RFBR travel grant 09-02-92107. This work was partially supported by National Science Council (grants NSC96-2113-M009-022-MY3 and NSC96-2113-M009-011-MY3) and Ministry of Education of Taiwan (MOE-ATU project), as well as by the JAEA Research fellowship (P. V. A). We thank the Institute of Computer Modeling (Siberian Division of RAS) and the Joint Supercomputer Center RAS for opportunity to use cluster computers for performing all calculations.
Предметные рубрики: CHEMICAL MOLECULAR-DYNAMICS
C-60
BUCKMINSTERFULLERENE
MECHANISM
ROAD
Ключевые слова (''Своб.индексиров.''): carbon nanostructures--kinetic factors--kinetic stability--thermal vibration--carbon nanotubes--fullerenes--isomers--kinetics
Аннотация: A methodology to evaluate the kinetic stability of carbon nanostructures is presented based on the assumption of the independent and random nature of thermal vibrations. The kinetic stability is directly correlated to the cleavage probability for the weakest bond of a given nanostructure. The application of the presented method to fullerenes and carbon nanotubes yields clear correlation to their experimentally observed relative isomer abundances. The general and simple formulation of the method ensures its applicability to other nanostructures for which formation is controlled by kinetic factors.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bogdanov E. V., Vasil'ev A. D., Flerov I. N., Laptash N. M.
Заглавие : Effect of cation substitution in fluorine-oxygen molybdates (NH4)(2-x) A (x) MoO2F4
Разночтения заглавия :авие SCOPUS: Effect of cation substitution in fluorine-oxygen molybdates (NH4)2 - xAxMoO2F4
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 2. - P303-308. - ISSN 1063-7834, DOI 10.1134/S1063783411020065
Примечания : Cited References: 11. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (project no. NSh-1011.2008.2).
Предметные рубрики: PHASE-TRANSITIONS
CRYSTALS
(NH4)(2)WO2F4
DIFFRACTION
OXYFLUORIDE
MECHANISM
DISORDER
Аннотация: Thermophysical and structural studies of (NH4)(2 - x) A (x) MoO2F4 (A = Cs, Rb, K) solid solutions of oxyfluorides have been performed. The character of the influence of cation substitutions on the stability of the initial phase (space group Cmcm) and on the mechanism of phase transitions has been elucidated.
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