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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // J. Struct. Chem. - 2011. - Vol. 52, Is. 5. - P. 870-875. - 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). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CALCIUM-DISCHARGED OBELIN
   SEMIEMPIRICAL METHODS
   1.7 ANGSTROM
   OPTIMIZATION
   PARAMETERS
   MECHANISM
   FLUORESCENCE
   ELEMENTS
   PROTEIN
   EMITTER
Кл.слова (ненормированные):
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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Biophys, Siberian Div, Krasnoyarsk, Russia
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Vysotski, E. S.; Высоцкий, Евгений Степанович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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    Modelling the passive microwave signature from land surfaces: A review of recent results and application to the L-band SMOS & SMAP soil moisture retrieval algorithms / J. -P. Wigneron [et al.] // Remote Sens. Environ. - 2017. - Vol. 192. - P. 238-262, DOI 10.1016/j.rse.2017.01.024. - Cited References: 187. - This research work was funded by CNES (Centre National d'Etudes Spatiales) through the Science TOSCA (Terre Océan Surfaces Continentales et Atmosphère) program. The authors wish to thank the three anonymous reviewers for their helpful comments and Sylvie Renaud (IMS) for fruitful discusions. . - ISSN 0034-4257
   Перевод заглавия: Моделирование пассивного микроволнового излучения с наземных поверхностей: обзор последних результатов и применение к алгоритмам восстановления влажности почвы космическими аппаратами SMOS и SMAP в L-диапазоне
Кл.слова (ненормированные):
Atmospheric temperature -- Climate models -- Moisture -- Moisture control -- Scanning antennas -- Soils -- Vegetation -- Experimental campaign -- Microwave brightness temperature -- Passive microwave signatures -- Semiempirical models -- Soil moisture retrievals -- Surface soil moisture -- Surface temperatures -- System configurations -- Soil moisture
Аннотация: Two passive microwave missions are currently operating at L-band to monitor surface soil moisture (SM) over continental surfaces. The SMOS sensor, based on an innovative interferometric technology enabling multi-angular signatures of surfaces to be measured, was launched in November 2009. The SMAP sensor, based on a large mesh reflector 6 m in diameter providing a conically scanning antenna beam with a surface incidence angle of 40°, was launched in January of 2015. Over the last decade, an intense scientific activity has focused on the development of the SM retrieval algorithms for the two missions. This activity has relied on many field (mainly tower-based) and airborne experimental campaigns, and since 2010–2011, on the SMOS and Aquarius space-borne L-band observations. It has relied too on the use of numerical, physical and semi-empirical models to simulate the microwave brightness temperature of natural scenes for a variety of scenarios in terms of system configurations (polarization, incidence angle) and soil, vegetation and climate conditions. Key components of the inversion models have been evaluated and new parameterizations of the effects of the surface temperature, soil roughness, soil permittivity, and vegetation extinction and scattering have been developed. Among others, global maps of select radiative transfer parameters have been estimated very recently. Based on this intense activity, improvements of the SMOS and SMAP SM inversion algorithms have been proposed. Some of them have already been implemented, whereas others are currently being investigated. In this paper, we present a review of the significant progress which has been made over the last decade in this field of research with a focus on L-band, and a discussion on possible applications to the SMOS and SMAP soil moisture retrieval approaches. © 2017 Elsevier Inc.

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Держатели документа:
ISPA, INRA Bordeaux, France
USDA, Beltsville, MD, United States
NASA/GSFC, Greenbelt, MD, United States
KULeuven, Heverlee, Belgium
ECMWF, Reading, United Kingdom
Monash University, Australia
University of Rome Tor Vergata, Italy
Kirenski Institute, Krasnoyarsk, Russian Federation
CESBIO, Universite de Toulouse, CNES/CNRS/IRD/UPS, Toulouse, France
Netherlands Space Office (NSO), The Hague, Netherlands
Mississippi State University, MS, United States
Gamma Remote Sensing and WSL-Birmensdorf, Switzerland
NASA/JPL, Pasadena, CA, United States
CARTEL, University of Sherbrooke, Canada
ESA ESRIN, Roma, Italy

Доп.точки доступа:
Wigneron, J. -P.; Jackson, T. J.; O'Neill, P.; De Lannoy, G.; de Rosnay, P.; Walker, J. P.; Ferrazzoli, P.; Mironov, V. L.; Миронов, Валерий Леонидович; Bircher, S.; Grant, J. P.; Kurum, M.; Schwank, M.; Munoz-Sabater, J.; Das, N.; Royer, A.; Al-Yaari, A.; Al Bitar, A.; Fernandez-Moran, R.; Lawrence, H.; Mialon, A.; Parrens, M.; Richaume, P.; Delwart, S.; Kerr, Y.
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    Atypical quantum confinement effect in silicon nanowires / P. B. Sorokin [et al.] // J. Phys. Chem. A. - 2008. - Vol. 112, Is. 40. - P9955-9964, DOI 10.1021/jp805069b. - Cited Reference Count: 25. - Гранты: This work was in part partially supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) as well as by Russian Fund of Basic Researches (grant 08-02-01096) (L.A.C.). P.V.A. acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute for Fundamental Chemistry. The geometry of all presented structures was visualized by ChemCraft software.SUP25/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations. - Финансирующая организация: Japan Science and Technology Agency (JST); Russian Fund of Basic Researches [08-02-01096] . - OCT 9. - ISSN 1089-5639
Рубрики:
ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SI
   DENSITY
   WIRES
   EXCHANGE
   ATOMS
   DOTS
Кл.слова (ненормированные):
Electric wire -- Energy gap -- Gallium alloys -- Mathematical models -- Nanostructured materials -- Nanostructures -- Nanowires -- Quantum confinement -- Quantum electronics -- Semiconductor quantum dots -- Silicon -- Ami methods -- Band gaps -- Blue shifts -- Dinger equations -- Linear junctions -- Monotonic decreases -- Quantum confinement effects -- Quantum dots -- Semiempirical -- Silicon nanowires -- System sizes -- Theoretical models -- Nanocrystalline silicon -- nanowire -- quantum dot -- silicon -- article -- chemistry -- electron -- quantum theory -- Electrons -- Nanowires -- Quantum Dots -- Quantum Theory -- Silicon
Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue shift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
RAS, N M Emanuel Inst Biochem Phys, Moscow 119334, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Sorokin, P. B.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; Chernozatonskii, L.A.; Fedorov, D.G.
}
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