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Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Slyusarenko N. V., Krylov A. S., Timofeeva M. V., Shipilovskikh S. A., Slyusareva E. A.
Заглавие : Luminescent studies of flexible [DUT-8 (Zn)] metal-organic frameworks
Колич.характеристики :6 с
Коллективы : International Conference on Pulsed Lasers and Laser Applications
Место публикации : Proc. SPIE. - 2023. - Vol. 12920: XVI International Conference on Pulsed Lasers and Laser Applications (10-15 September 2023, Tomsk, Russian Federation). - Ст.1292014. - , DOI 10.1117/12.3005774
Примечания : Cited References: 10. - The reported study was funded by RFBR and DFG, project 21-52-12018
Аннотация: An approach to the study of the porous structure of metal-organic frameworks (MOF) using guest luminescent molecules with specially selected spectral characteristics as acceptors of electronic excitation energy was suggested. If such molecules are adsorbed in MOF pores with sizes comparable to the Förster radius, Förster resonance energy transfer (FRET) from photoexcited linkers occurs. In this case quenching of luminescence of the linker can serve as analytical signals indicating open pore structure of the MOF. The developed approach was demonstrated by the example of DUT-8(Zn) MOF and Coumarin 1 as guest molecules by time-resolved luminescence methods.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Stolyar S. V., Bayukov O. A., Balaev D. A., Ladygina V. P., Yaroslavtsev R. N., Knyazev Yu. V., Balasoiu M., Kolenchukova O. A., Iskhakov R. S.
Заглавие : Ferrihydrite nanoparticles produced by Klebsiella oxytoca: Structure and properties dependence on the cultivation time
Место публикации : Adv. Powder Technol. - 2022. - Vol. 33, Is. 8. - Ст.103692. - ISSN 09218831 (ISSN), DOI 10.1016/j.apt.2022.103692
Примечания : Cited References: 59. - This work was supported by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects No. 20-416-242907
Аннотация: Ferrihydrite nanoparticles were synthesized using Klebsiella oxytoca microorganisms under various cultivation conditions. The cultivation of bacteria was carried out under various lighting conditions, and the duration of cultivation varied from 3 to 56 days. Biogenic ferrihydrite nanoparticles were studied by Mössbauer spectroscopy, magnetometry, and small-angle X-ray scattering. The process of formation of ferrihydrite nanoparticles and the states arising during the cultivation of microorganisms have been investigated. The results of Mössbauer spectroscopy showed that, depending on the time of cultivation, three different states of ferrihydrite can be realized. States differ both in the ratio of defective and non-defective positions, and the size of the particle. Experimental results indicate that ferrihydrite nanoparticles are a system of variable composition and pass through several structural (or morphological) states during the cultivation of microorganisms. A model of the structure of ferrihydrite nanoparticles is proposed, which consists in the presence of an antiferromagnetic dense core with a high Néel temperature and a friable shell with a significantly lower temperature of magnetic ordering.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tomilin F. N., Rogova A. V., Burakova L. P., Tchaikovskaya O. N., Avramov P. V., Fedorov D. G., Vysotski E. S.
Заглавие : Unusual shift in the visible absorption spectrum of an active ctenophore photoprotein elucidated by time-dependent density functional theory
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [20-04-00085]; NSFCNational Natural Science Foundation of China (NSFC) [19-54-53004]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [0721-2020-0033]
Место публикации : Photochem. Photobiol. Sci. - 2021. - Vol. 20, Is. 4. - P.559-570. - ISSN 1474-905X, DOI 10.1007/s43630-021-00039-5. - ISSN 1474-9092(eISSN)
Примечания : Cited References: 61. - The ab initio quantum chemical calculations were funded by RFBR and NSFC as the research project No. 19-54-53004 and RFBR research project No. 20-04-00085. The development of structural atomistic model of berovin without calcium ions generated by the I-TASSER server was funded by project 0721-2020-0033 of the Russian Ministry of Science and Education
Аннотация: Active hydromedusan and ctenophore Ca2+-regulated photoproteins form complexes consisting of apoprotein and strongly non-covalently bound 2-hydroperoxycoelenterazine (an oxygenated intermediate of coelenterazine). Whereas the absorption maximum of hydromedusan photoproteins is at 460–470 nm, ctenophore photoproteins absorb at 437 nm. Finding out a physical reason for this blue shift is the main objective of this work, and, to achieve it, the whole structure of the protein–substrate complex was optimized using a linear scaling quantum–mechanical method. Electronic excitations pertinent to the spectra of the 2-hydroperoxy adduct of coelenterazine were simulated with time-dependent density functional theory. The dihedral angle of 60° of the 6-(p-hydroxy)-phenyl group relative to the imidazopyrazinone core of 2-hydroperoxycoelenterazine molecule was found to be the key factor determining the absorption of ctenophore photoproteins at 437 nm. The residues relevant to binding of the substrate and its adopting the particular rotation were also identified.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Visotin M. A., Gerasimov V. S., Polyutov S. P., Avramov P. A.
Заглавие : Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers
Место публикации : J. Chem. Phys. - 2021. - Vol. 154, Is. 8. - Ст.012009. - ISSN 00219606 (ISSN), DOI 10.1063/5.0040128
Примечания : Cited References: 41. - This study was supported by the Russian Science Foundation, Project No. 18-13-00363
Аннотация: Charge transfer plasmons (CTPs) that occur in different topology and dimensionality arrays of metallic nanoparticles (NPs) linked by narrow molecular bridges are studied. The occurrence of CTPs in such arrays is related to the ballistic motion of electrons in thin linkers with the conductivity that is purely imaginary, in contrast to the case of conventional CTPs, where metallic NPs are linked by thick bridges with the real optical conductivity caused by carrier scattering. An original hybrid model for describing the CTPs with such linkers has been further developed. For different NP arrays, either a general analytical expression or a numerical solution has been obtained for the CTP frequencies. It has been shown that the CTP frequencies lie in the IR spectral range and depend on both the linker conductivity and the system geometry. It is found that the electron currents of plasmon oscillations correspond to minor charge displacements of only few electrons. It has been established that the interaction of the CTPs with an external electromagnetic field strongly depends on the symmetry of the electron currents in the linkers, which, in turn, are fully governed by the symmetry of the investigated system. The extended model and the analytical expressions for the CTPs frequencies have been compared with the conventional finite difference time domain simulations. It is argued that applications of this novel type of plasmon may have wide ramifications in the area of chemical sensing.
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Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Rogova A. V., Gerasimova M. A., Tomilin F. N., Slyusareva E. A.
Заглавие : Quantum chemical study of the spectral characteristics of fluorescein dyes bound to chitosan
Коллективы : International Conference on Pulsed Lasers and Laser Applications
Место публикации : Proc. SPIE: SPIE, 2021. - Vol. 12086: 15th International Conference on Pulsed Lasers and Laser Applications (12 - 17 September 2021, Tomsk, Russia) Conference code: 176103. - Ст.120861V. - , DOI 10.1117/12.2613980
Примечания : Cited References: 17. - This study was supported by the Russian Foundation for Basic Research, project no. 19-02-00450-а and by the Ministry of Science and High Education of Russian Federation, project no. FSRZ-2020-0008
Аннотация: Recently, there has been an increased interest in natural polysaccharides, in particular, chitosan, which are widely used in medicine and industry. Chitosan labeled with fluorescein dyes acquires additional optical properties that can be used in sensing and delivery systems. Mechanism of binding of a polymer to a label largely determines the field of its possible applications. The quantum chemical calculation using the B3LYP/aug-cc-pVDZ theory level has been made in order to contribute to the understanding of intermolecular interactions. The geometry of fluorescein, eosin Y, and erythrosin B in the dianionic, monoanionic, and neutral quinoid forms interacting with chitosan has been optimized and the absorption spectra have been calculated using the time-dependent density functional theory taking into account the solvent. The comparison of the calculated absorption spectra with the experimental data has shown a major role of the electrostatic mechanism in binding of anionic dyes to the protonated chitosan groups.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gel'mukhanov F., Odelius M., Polyutov S. P., Fohlisch A., Kimberg V.
Заглавие : Dynamics of resonant x-ray and Auger scattering
Место публикации : Rev. Mod. Phys. - 2021. - Vol. 93, Is. 3. - Ст.035001. - ISSN 00346861 (ISSN), DOI 10.1103/RevModPhys.93.035001
Примечания : Cited References: 467. - The reported study was funded by the Russian Foundation for Basic Research (RFBR) (Project No. 19-29-12015) and partly supported by the Ministry of Science and Higher Education of the Russian Federation (Project No. FSRZ-2020-0008). M. O. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under Marie Skłodowska-Curie Grant Agreement No. 860553, the Carl Tryggers Foundation (Contract No. CTS18:285), and the Swedish Energy Agency (Contract No. 2017-006797). Funding is acknowledged from the European Research Council through ERC-ADG-2014 (Advanced Investigator Grant No. 669531 EDAX) at the University of Potsdam within the Horizon 2020 EU Framework Programme for Research and Innovation. Support from the Helmholtz Association, in particular, the Helmholtz Virtual Institute 419 “Dynamic Pathways in Multidimensional Landscapes” and the Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, is acknowledged. Support from the Swedish Research Council (Grants No. 2019-03470 and No. 2015-03781) is also acknowledged
Аннотация: An overview of both experimental and theoretical results in the field of resonant scattering of tunable soft and hard x-ray radiation is presented, with a main focus on the closely related processes of resonant inelastic x-ray scattering (RIXS) and resonant Auger scattering (RAS). The review starts with an overview of fundamental dynamical aspects of RIXS illustrated for different systems. A detailed analysis of case studies with increasing complexity, considering both gas-phase and condensed matter (liquids and solids) applications, is given. In the review, the most important achievements in investigations of coupled electron-nuclear dynamics and structural aspects in studies of liquids and solids over the last two decades are outlined. To give a perspective on the insights from RIXS and RAS, the x-ray results are discussed against the background of complementary experimental techniques like vibrational infrared absorption and Raman spectroscopy, as well as small-angle x-ray and neutron scattering. Finally, recent achievements in time-resolved studies based on x-ray free-electron lasers are described.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Kharkov A. M., Filipson G. Y.
Заглавие : Magnetic capacitance in variable-valence manganese sulfides
Место публикации : Phys. Status Solidi B. - 2020. - Vol. 257, Is. 5. - Ст.1900637. - ISSN 03701972 (ISSN), DOI 10.1002/pssb.201900637
Примечания : Cited References: 12. - This study was supported by the Russian Foundation for Basic Research No. 18-32-00079 mol_a. The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science No. 18-42-240001 r_a
Аннотация: The permittivity of TmxMn1–xS (0 < x < 0.15) solid solutions is measured in the frequency range of 102–106 Hz at temperatures of 300–500 K in magnetic fields of up to 12 kOe. The migration and relaxation conductivity contributions to the electric polarization are established. The relaxation time and activation energy are calculated using the Debye model. A decrease in the capacitance and relaxation time in a magnetic field is observed. The electron polarization relaxation channel provided by recombination of the electron–hole pairs is found using the infrared spectroscopy investigations.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shi, Xin, Wu, Yong, Wang, Jian Guo, Kimberg V., Zhang, Song Bin
Заглавие : X-ray transient absorption spectroscopy by an ultrashort x-ray-laser pulse in a continuous-wave IR field
Место публикации : Phys. Rev. A. - 2020. - Vol. 101, Is. 2. - Ст.023401. - ISSN 2469-9926, DOI 10.1103/PhysRevA.101.023401. - ISSN 2469-9934(eISSN)
Примечания : Cited References: 56. - Grants from the National Basic Research Program of China (Grant No. 2017YFA0403200), National Natural Science Foundation of China (Grants No. 11604197, No. 11934004, and No. 11974230), the Science Challenge Program of China (Grants No. TZ2018005 and No. TZ2016005), and the Organization Department of CCCPC are acknowledged. V.K. acknowledges financial support from Swedish Research Council within the State Contract of the Ministry of Education and Science of the Russian Federation for Siberian Federal University for Scientific Research in 2017-2019 (Project No. 3.2662.2017)
Предметные рубрики: MOLECULAR NITROGEN
TIME
DYNAMICS
PHASE
SPECTRA
DECAY
Аннотация: X-ray transient absorption spectra (XTAS) of molecules are theoretically investigated in a femtosecond x-ray pump and continuous-wave (cw) infrared (IR)-control scenario. The scheme is exemplified by a CO molecule resonantly pumped into carbon and oxygen core-excited 1s→π∗ states by a weak femtosecond x-ray pulse, while dynamic Stark shifts are induced by the cw IR-control radiation. As a result, significant shoulder structures appear in XTAS showing strong dependence on the phase of IR radiation relative to the envelope of the x-ray pulse. Due to a significant difference in the frequencies of the two pulses, the present XTAS scheme provides much clear interpretation of the dynamic Stark effects as compared to the attosecond UV transient absorption scenario. Within the suggested two-level model, where the total spectrum is decomposed as incoherent superposition of contributions from different vibrational excitations weighted by the Franck-Condon Factors, all spectral structures can be well identified and interpreted in a good agreement with the full-scale molecular simulations. Well-characterized XTAS in the proposed IR-control scheme can be applied for fine phase synchronization between IR and x-ray pulses, highly demanded in modern experiments on x-ray free-electron lasers.
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Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Ershov A. E., Bikbaev R. G., Rasskazov I. L., Gerasimov V. S., Timofeev I. V., Polyutov S. P., Karpov S. V.
Заглавие : Collective resonances in hybrid photonic-plasmonic nanostructures
Коллективы : International Conference on Metamaterials and Nanophotonics
Место публикации : J. Phys.: Conf. Ser. - 2020. - Vol. 1461, Is. 1. - Ст.012046. - DOI 10.1088/1742-6596/1461/1/012046
Примечания : Cited References: 11. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (Grant No. 18-42-240013); A.E. thanks the grant of the President of Russian Federation (agreement 075-15-2019-676)
Аннотация: We present the theoretical model to predict the spectral position of Rayleigh anomalies emerged in hybrid system consisting of periodic array of plasmonic nanodisks embeded into the middle of defect layer of 1D photonic crystal (PhC). The spectral positions of these new emerged Rayleigh anomalies agree well with the results of exact simulations with Finite-Difference Time-Domain (FDTD) method.
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10.

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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