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    Machine learning methods in assessing the effect of mixture composition on the physical and mechanical characteristics of road concrete / I. G. Endzhievskaya, A. S. Endzhievskiy, M. A. Galkin, M. S. Molokeev // J. Build. Eng. - 2023. - Vol. 76. - Ст. 107248, DOI 10.1016/j.jobe.2023.107248. - Cited References: 17. - The work was carried out within the framework of the Strategic Academic Leadership Program "Priority-2030" for the Siberian Federal University. The research in field of Machine Learning application was supported by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3) . - ISSN 2352-7102
   Перевод заглавия: Методы машинного обучения в оценке влияния состава смеси на физико-механические характеристики дорожного бетона
Кл.слова (ненормированные):
Concrete optimization -- Random forest -- Decision tree -- Machine learning -- Сement concrete roads
Аннотация: Current manuscript presents a study on the use of 48 experimental data points containing parameters of concrete production technological process and its properties, such as strength, density, and bending strength. It was revealed that temporal characteristics, specifically - compressive strength at the age of 3, 7, 28 days, R3, R7, and R28, are significantly correlated with each other, indicating that only one characteristic, such as R28 or Rfl 28, is sufficient for prediction. The absence of multiple correlations between parameters and properties suggests that linear regression analysis may not be accurate. Therefore, the use of Machine Learning is optimal; specifically Random Forest method is preferable due to ease of use and minimum hyperparameters for tuning. Low prediction errors (?1–11%) for 30% of the test data, as determined by the cross-validation method, confirm a relationship between the experimental parameters and the concrete properties. The most important parameters for achieving high values of compressive and bending strengths, R28 and Rfl 28, were identified, namely: air-entraining additives, granite crushed stone consisting of a mixture of fractions 5–20 mm, crushed stone derived from gravel of high strength grains of large fractions 10–20 mm. To obtain explanatory model, another Machine Learning method, that was used, called Decision Tree. The model showed that a high amount of crushed stone 10–20 mm from gravel, more than 212 (kg per 1 m3 of concrete mix), leads to a higher number of strong grains with smooth, rounded surface, thereby, reducing the bending strength of concrete. However, a large concentration of crushed stone mix fractions of 5–20 mm from granite, more than 537 (kg per 1 m3 of concrete mix), leads to the maximum roughness, which makes a significant contribution to the increased strength of concrete due to the adhesion of the matrix and aggregates to each other.

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Держатели документа:
Siberian Federal University, Svobodny Ave., 79, Krasnoyarsk, 660041, Russia
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Tyumen, 625003, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics SB RAS, Krasnoyarsk, 660036, Russia

Доп.точки доступа:
Endzhievskaya, I. G.; Endzhievskiy, A. S.; Galkin, M. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич
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Nanoparticle shape optimization for Tamm-plasmon-polariton-based organic solar cells in the visible spectral range / R. G. Bikbaev, S. Y. Vetrov, I. V. Timofeev, V. F. Shabanov // Photonics. - 2022. - Vol. 9, Is. 11. - Ст. 786, DOI 10.3390/photonics9110786. - Cited References: 28. - The reported study was funded by a grant of the President of the Russian Federation №MK-46.2021.1.2 . - ISSN 2304-6732
Кл.слова (ненормированные):
photonic crystal -- Tamm plasmon polariton -- organic solar cell
Аннотация: The effect of the shape of the nanoparticles and the polarization of incident light on the surface current density and the efficiency of an organic solar cell based on the Tamm plasmon polariton is investigated. In the cases of both elongated and flattened nanoparticles, it is shown that the efficiency of such a solar cell is increased when the electric field vector is parallel to the largest axis of the spheroid.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Vetrov, S. Y.; Timofeev, I. V.; Тимофеев, Иван Владимирович; Shabanov, V. F.; Шабанов, Василий Филиппович
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    Su, Binbin.
    Mn2+-Based narrow-band green-emitting Cs3MnBr5 phosphor and the performance optimization by Zn2+ alloying / B. B. Su, M. S. Molokeev, Z. G. Xia // J. Mater. Chem. C. - 2019. - Vol. 7, Is. 36. - P. 11220-11226, DOI 10.1039/c9tc04127c. - Cited References: 24. - The present work was supported by the National Natural Science Foundations of China (Grant No. 51722202, 51972118 and 51572023), Natural Science Foundations of Beijing (2172036) and the Guangdong Provincial Science & Technology Project (no. 2018A050506004). . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Узкополосный зеленый люминофор Cs3MnBr5 на основе Mn2+ и оптимизация рабочих характеристик путем легирования Zn2+

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
THERMAL-STABILITY
BACKLIGHT
EMISSION
Аннотация: To discover new narrow-band green-emitting phosphors is a challenge for backlighting light-emitting diodes (LEDs) used in liquid crystal displays (LCDs). The synthesis and optical properties of Cs3MnBr5 are demonstrated herein. The intrinsic Mn2+ luminescence without concentration quenching leads to intense green emission at 520 nm with narrow full width at half maximum of 42 nm and high photoluminescence quantum yield (PLQY) of 49% under the excitation at 460 nm. When a small amount of Zn2+ is introduced into Cs3MnBr5, the luminescence intensity decreases slightly. However, the thermal stability of Cs3MnBr5 is improved from 82% to 87% with the intensity values at 423 K compared to that at 298 K. The white LED device fabricated using Cs3Mn0.96Zn0.04Br5 (green) and K2SiF6:Mn4+ (red) phosphors with a blue LED chip exhibit a high luminous efficiency (107.76 lm W-1) and wide color gamut (101% National Television System Committee standard (NTSC) in Commission Internationale de L'Eclairage (CIE) 1931 color space), demonstrating its potential application in wide color gamut LCD backlights.

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Держатели документа:
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangzhou 510641, Guangdong, Peoples R China.
South China Univ Technol, Inst Opt Commun Mat, Guangzhou 510641, Guangdong, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Zhiguo
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    Bulgakov, E. N.
    Q-factor optimization in dielectric oligomers / E. N. Bulgakov, D. N. Maksimov // Phys. Rev. A. - 2019. - Vol. 100, Is. 3. - Ст. 033830, DOI 10.1103/PhysRevA.100.033830. - Cited References: 43. - This work was supported by the Ministry of Higher Education and Science of the Russian Federation (State Contract No. 3.1845.2017/4.6). . - ISSN 2469-9926. - ISSN 2469-9934
   Перевод заглавия: Оптимизация добротности в диэлектрических олигомерах

РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
FOURIER MODAL METHOD
   PHOTONIC CRYSTAL
   BOUND-STATES
   ENHANCEMENT
Аннотация: In this paper we propose an optimization procedure for quality-factor (Q-factor) enhancement in dielectric oligomers. The oligomers are introduced as linear periodic chains of dielectric elements the individual Q factors of which are optimized via multipolar conversion in an avoided crossing of two resonant eigenfrequencies. It is demonstrated that when such dielectric elements are assembled into an infinite periodic array the coupling between individual resonances gives rise to an in-Γ optical bound state in the continuum (BIC) unprotected by symmetry. By setting up the oligomers of finite numbers of dielectric elements we observe high quality resonances which occur as traces of the infinite array band structure. The resulting high quality resonances exhibit light localization spots of a few squared wavelengths with Q factors Q ˃10 4. The localization is provided by similarity of the field pattern to that of the BIC with the losses at the edges of the array suppressed due to an almost flat BIC host band. The scaling law of the Q factor against the dielectric permittivity is derived.

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Держатели документа:
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr KSC SB, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Maksimov, D. N.; Максимов, Дмитрий Николаевич; Булгаков, Евгений Николаевич; Ministry of Higher Education and Science of the Russian FederationMinistry of Education and Science, Russian Federation [3.1845.2017/4.6]
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Thermoelectric properties and cost optimization of spark plasma sintered n-type Si0.9Ge0.1 - Mg2Si nanocomposites / A. Usenko [et al.] // Scripta Mater. - 2018. - Vol. 146. - P. 295-299, DOI 10.1016/j.scriptamat.2017.12.019. - Cited References: 28. - This work was supported by Russian Science Foundation (project No. 16-13-00060). Part of the work (structural characterization of the samples) was carried out with financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST “MISiS”. Partial support by Act 211 Government of the Russian Federation, contract # 02.A03.21.0011, is also acknowledged. . - ISSN 1359-6462
Кл.слова (ненормированные):
Cost optimization -- Lattice thermal conductivity -- Magnesium silicides -- Spark plasma -- Thermo-Electric materials -- Thermoelectric figure of merit -- Thermoelectric performance -- Thermoelectric properties
Аннотация: We report on thermoelectric properties of low Ge content n-type Si0.9Ge0.1–Mg2Si nanocomposite. Introduction of the Mg2Si phase into a SiGe matrix resulted in a dramatic drop of the lattice thermal conductivity beyond the previously reported lowest limit for SiGe alloys due to intensification of phonon scattering on SiGe–Mg2Si grain boundaries. For a sample doped with 1 at.% of Mg2Si, the peak value of thermoelectric figure of merit ZT reached ~ 0.8 at 800 °C. Sintered nanocomposites still exhibit high thermoelectric performance while being almost two times cheaper than Si0.8Ge0.2.

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Держатели документа:
National University of Science and Technology “MISiS”, Moscow, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
National Research South Ural State University, Chelyabinsk, Russian Federation

Доп.точки доступа:
Usenko, A.; Moskovskikh, D.; Korotitskiy, A.; Gorshenkov, M.; Zakharova, E.; Fedorov, A. S.; Федоров, Александр Семенович; Parkhomenko, Y.; Khovaylo, V.
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Optimization of steel-surface hardening by carbon nanostructures followed by treatment with hIgh-intensity energy sources / G. S. Bocharov [et al.] // J. Surf. Invest. - 2018. - Vol. 12, Is. 1. - P. 27-32, DOI 10.1134/S102745101801007X. - Cited References: 14. - This study was supported by the Russian Science Foundation, project no. 16-19-10027. . - ISSN 1027-4510
Кл.слова (ненормированные):
metal surface hardening -- carbon nanomaterials -- laser irradiation -- electron-beam treatment -- microhardness
Аннотация: The effect whereby a steel surface is modified by its covering with a nanocarbon material followed by fast electron- or laser-beam irradiation is studied. The initial material is low-carbon steel. Soot produced via the thermal sputtering of graphite electrodes in an electric arc with the subsequent extraction of fullerenes is used as the nanocarbon coating. Due to the fact that nanocarbon-coated samples are irradiated with a 60-keV electron beam, the material microhardness enhances considerably. The dependence between the microhardness and the irradiation energy is nonmonotonic and reaches its maximum (about 600 ± 20 HV) under the condition that the electron-irradiation energy is 460 J/cm2 and the intensity is 1.53 kW/cm2. This corresponds to a fourfold increase in the microhardness. Electron-beam irradiation of the treated surface is accompanied by a 1.5–2-fold decrease in the friction coefficient. Experimental results are compared with data obtained under laser irradiation of the nanocarbon-coated steel surface.

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Публикация на русском языке Оптимизация упрочнения стальной поверхности углеродными наноструктурами с последующей обработкой высокоинтенсивными источниками [Текст] / Г. С. Бочаров [и др.] // Поверхность. - 2018. - № 1. - С. 33-39

Держатели документа:
National Research University “Moscow Power Engineering Institute”, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Bocharov, G. S.; Eletskii, A. V.; Zakharenkov, A. V.; Zilova, O. S.; Sliva, A. P.; Terentyev, E. V.; Fedorovich, S. D.; Churilov, G. N.; Чурилов, Григорий Николаевич
}
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Optimization of photothermal methods for laser hyperthermia of malignant cells using bioconjugates of gold nanoparticles / V. S. Gerasimov [et al.] // Colloid J. - 2016. - Vol. 78, Is. 4. - P. 435-442, DOI 10.1134/S1061933X16040050. - Cited References: 33. - This work was supported by the Ministry of Education and Science of the Russian Federation (contract no. 14.607.21.0104 RFMEFI60714X0104) (Section 3) and the State Assignment of the Ministry of Education and Science of the Russian Federation for Siberian Federal University (contract no. 1792) (Section 2). The numerical calculations were performed using the MVS-1000 M cluster at the Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences. . - ISSN 1061-933X

РУБ Chemistry, Physical
Рубрики:
THERMAL THERAPY
   PLASMONIC NANOPARTICLES
   OPTICAL-PROPERTIES
   TUMOR-CELLS
   CARCINOMA
   CLUSTERS
   CANCER
Аннотация: Selective action of laser radiation on membranes of malignant cells has been studied in different regimes using conjugates of gold nanoparticles with oligonucleotides by the example of DNA aptamers. Under the conditions of a contact between a bioconjugate and a cell surface and the development of substantial and rapidly relaxing temperature gradients near a nanoparticle, the membranes of malignant cells alone are efficiently damaged due to the local hyperthermia of a cellular membrane. It has been shown that employment of pulsed instead of continuous wave laser radiation provides the localization of the damaging action, which does not involve healthy cells. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Оптимизация фототермических методов лазерной гипертермии злокачественных клеток с применением биоконъюгатов золотых наночастиц [Текст] / В. С. Герасимов [и др.] // Коллоид. журн. : Наука, 2016. - Т. 78 № 4. - С. 417–425

Держатели документа:
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, Russian Federation
Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/44, Krasnoyarsk, Russian Federation
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, Russian Federation
Reshetnev State Siberian State Aerospace University, pr. Gazety “Krasnoyarskii rabochii” 31, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Gerasimov, V. S.; Герасимов, Валерий Сергеевич; Ershov, A. E.; Ершов, Александр Евгеньевич; Karpov, S. V.; Карпов, Сергей Васильевич; Polyutov, S. P.; Semina, P. N.; Семина, Полина Николаевна
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Magnetic nanoparticles in borate glasses: Identification and sizing / I. S. Edelman [et al.] // International Conference on Optimization of Electrical and Electronic Equipment (OPTIM 2014) : IEEE Computer Society, 2014. - P. 95-104, DOI 10.1109/OPTIM.2014.6850939. - Cited References: 60 . - ISBN 978-1-4799-5183-3
Рубрики:
Engineering, Electrical and Electronic
Кл.слова (ненормированные):
SUPERPARAMAGNETIC RESONANCE -- FERROMAGNETIC-RESONANCE -- FERRITE NANOPARTICLES -- OXIDE NANOPARTICLES -- FARADAY-ROTATION -- CERAMICS -- IRON -- CRYSTALLIZATION -- ANISOTROPY -- PARTICLES
Аннотация: Heat treatment of borate glasses co-doped with low contents of iron and larger radius elements: Dy, Tb, Gd, Ho, Er, Y and Bi results in formation of magnetic nanoparticles, radically changing their physical properties. Transmission electron microscopy and synchrotron radiation-based techniques: XRD, EXAFS, XANES and SAXS, show a broad distribution of nanoparticle sizes with characteristic depending on the treatment regime; a crystalline structure of these nanoparticles is detected in heat treated samples. Magnetic circular dichroism (MCD) studies of samples subjected to heat treatment as well as of maghemite, magnetite and iron garnet allow to unambiguously assigning the nanoparticle structure to maghemite. Different features observed in the MCD spectra are related to different electron transitions in Fe3+ ions gathered in the nanoparticles. Variable-temperature electron magnetic resonance (EMR) studies confirm the formation of magnetic nanoparticles and the identification of their nature. Computer simulations of the EMR spectra corroborate the broad distribution of nanoparticle sizes found by 'direct' techniques. © 2014 IEEE.

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Доп.точки доступа:
Edelman, I. S.; Эдельман, Ирина Самсоновна; Ivanova, O. S.; Иванова, Оксана Станиславовна; Zubavichus, Y.; Trofimova, N. N.; Zaikovskiy, V. I.; Artemenko, A.; Curely, J.; Kliava, J.; Russian Foundation for Basic Research; Russian Foundation for Basic Research; International Conference on Optimization of Electrical and Electronic Equipmen (22 May - 24 May 2014 ; Bran, Romania)
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Zobov, V. E.
On time-optimal NMR control of states of qutrits represented by quadrupole nuclei with the spin I=1 / V. E. Zobov, V. P. Shauro // J. Exp. Theor. Phys. - 2011. - Vol. 113, Is. 2. - P. 181-191, DOI 10.1134/S1063776111060094. - Cited References: 48. - This work was supported by the Russian Foundation for Basic Research (project no. 09-07-00138) and the Dynasty Foundation. . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
QUANTUM COMPUTATION
   MAGNETIC-RESONANCE
   ALGORITHMS
   ELEMENTS
   PULSES
   DESIGN
   QUDITS
   GATES
Кл.слова (ненормированные):
Logical operators -- Nuclear spins -- Numerical optimizations -- Optimality -- Physical parameters -- Quadrupole nuclei -- Qutrits -- Radio frequencies -- RF pulse -- Three level systems -- Time dependence -- Time-optimal -- Computer control systems -- Computer simulation -- Fourier transforms -- Optimization -- Quantum computers -- Resonance -- Nuclear quadrupole resonance
Аннотация: Elementary logical operators (selective rotation, Fourier transform, controllable phase shift, and SUM gate) are considered for a quantum computer based on three-level systems (qutrits) represented by nuclear spins I = 1 under nuclear magnetic resonance conditions. The computer simulation of the realization of these operators by means of simple and composite selective radiofrequency (RF) pulses and optimized RF pulses is performed. The time dependence of the amplitude of last pulses is found by numerical optimization at different durations. Two variants are proposed for realization of a two-qutrit SUM gate by using one-qutrit or two-qutrit optimized RF pulses. The calculated time dependences of realization errors were used to study the time optimality of different methods for obtaining gates, proposed earlier and in this paper. The advantages and disadvantages of each of the methods are evaluated for different values of physical parameters.

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Держатели документа:
[Zobov, V. E.
Shauro, V. P.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Shauro, V. P.; Шауро, Виталий Павлович; Зобов, Владимир Евгеньевич
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10.

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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