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    2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties / N. N. Golovnev [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 157
   Перевод заглавия: 2-тиобарбитуровые комплексы Ca(II): синтез, кристаллическая структура и термические свойства
Кл.слова (ненормированные):
calcium -- 2-thiobarbituric acid -- crystal structure -- thermal decomposition -- IR spectroscopy

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereschagin, S. N.; Верещагин, С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
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    A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: Synthesis, crystal structure and luminescence properties / H. Liu [et al.] // RSC Adv. - 2016. - Vol. 6, Is. 29. - P. 24577-24583, DOI 10.1039/c5ra23348h. - Cited References: 33. - We gratefully acknowledge the financial support by the National Natural Science Foundations of China (Grant no. 41172053), the Fundamental Research Funds for the Central Universities (Grant no. 2652013043), and Science and Technology Innovation Fund of the China University of Geosciences (Beijing). . - ISSN 2046-2069
   Перевод заглавия: Новый однофазный люминофор Ca9La(PO4)5(SiO4)F2:Dy3+, излучающий белый свет: синтез, кристаллическая структура и люминесцентные свойства

РУБ Chemistry, Multidisciplinary
Рубрики:
Energy-transfer
   Diodes
   LEDs
   Emission
   Ions
   Excitation
   Ce3+
   Eu2+
   Ln
Аннотация: A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+ was prepared through traditional high-temperature solid state technology. The crystal structures of Ca9La(PO4)5(SiO4)F2 with or without Dy3+ ions were refined by the Rietveld method. The diffuse reflection spectra, excitation spectra, emission spectra, and decay times were characterized to investigate the photoluminescence properties for application in white light-emitting diodes. The results showed that the Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could efficiently assimilate n-UV light and emit blue (∼485 nm) and yellow light (∼580 nm), originating from the f-f transitions of Dy3+. The critical Dy3+ quenching concentration (QC) was determined to be about 15 mol%, and the corresponding QC mechanism was verified to be the dipole-dipole interaction. Additionally, the emission colors of all samples were located close to the ideal white light region, and the optimal chromaticity coordinates and correlated color temperature (CCT) were determined to be (x = 0.338, y = 0.336) and 5262 K. All the above results indicate that the as-prepared Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could serve as a promising candidate for white-light n-UV-LEDs. © The Royal Society of Chemistry 2016.

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Держатели документа:
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing, China
Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Liu, H.; Liao, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Guo, Q.; Zhang, Y.; Mei, L.
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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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    Astakhov, A. M.
    Crystal and molecular structure of a co-crystal of 5-nitrimino-1,4H-1,2,4-triazole with dimethyl sulfoxide / A. M. Astakhov, A. D. Vasiliev // Crystallogr. Rep. - 2022. - Vol. 67, Is. 7. - P. 1146-1151, DOI 10.1134/S1063774522070409. - Cited References: 16 . - ISSN 1063-7745. - ISSN 1562-689X
   Перевод заглавия: Кристаллическая и молекулярная структура ко-кристалла 5-нитримино-1,4H-1,2,4-триазола с диметил сульфоксидом
Аннотация: The structure of the labile co-crystal of 5-nitrimino-1,4Н-1,2,4-triazole with dimethyl sulfoxide was determined by X-ray diffraction. It was established that the molecule, previously known as 3(5)-nitra-mino-1,2,4-triazole, has a nitrimine structure. The geometric parameters of the molecules are similar to those of other nitrimino-1,2,4-triazoles. Intermolecular interactions in the co-crystal are considered. An explanation is provided for the lability of the co-crystal.

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Держатели документа:
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, 660049 Russia
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036 Russia
Siberian Federal University, Krasnoyarsk, 660041 Russia

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич
}
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    Astakhov, A. M.
    X-Ray structure of the complex of 5-nitrimino-1,4H-1,2,4-triazole and DMSO / A. M. Astakhov, A. D. Vasiliev // New Trends in Res. of Energetic Mater. : Proceedings. - 2013. - P. 466-473
   Перевод заглавия: Структура комплекса 5-нитримино-1,4Н-1,2,4-триазола и DMSO

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Seminar on New Trends in Research of Energetic Materials (16 ; 2013 ; Apr. ; 10-12 ; Pardubice, Czech Republic)
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    Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties / L. A. Solovyov [et al.] // J. Coord. Chem. - 2017. - Vol. 70, Is. 12. - P. 1984-1993, DOI 10.1080/00958972.2017.1319943. - Cited References: 21 . - ISSN 0095-8972
   Перевод заглавия: Бис(μ3-барбитурат-O,O,O')-(μ2-аква)-аква-бария(II): Кристаллическая структура, спектроскопические и термические свойства
Кл.слова (ненормированные):
Barbituric acid -- barium -- coordination compound -- X-ray diffraction -- infrared spectroscopy -- thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.

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Institute of Chemistry and Chemical Technology, SB RAS, FRC “Krasnoyarsk Science Center SB RAS”, Krasnoyarsk, Russian Federation
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Solovyov, L. A.; Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.
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    Borodina, A. O.
    Highly anisotropic phases in the cOpT films: synthesis, magnetic properties / A. O. Borodina, V. S. Zhigalov, T. V. Strekaleva // Молодежь. Общество. Современная наука, техника и инновации. - 2017. - № 16. - P. 271-274
   Перевод заглавия: Высокоанизотропные фазы в системе пленок cOpT: синтез, магнитные свойства
Кл.слова (ненормированные):
solid-phase synthesis -- Film samples -- Perpendicular anisotropy -- magnetic properties -- crystal structure -- твердофазный синтез -- плёночные образцы -- перпендикулярная анизотропия -- магнитные свойства -- кристаллическая структура
Аннотация: The original Co(001)/Pt(111) film structure has been obtained by consequent thermal deposition of Co layer with a cubic crystal lattice and Pt(111) from the target sprayed using a magnetron sputtering technique on a single crystal substrate of MgO(001) in the vacuum of 10 -6 Torr. In the experiments we have used thesamples with the atomic ratio: 1Сo:3Pt and1Сo:1Pt; totalthickness is about300 nm. The X-ray diffraction analysis has shown that in two-layer structures with the atomic ratio of reagents 1/3, at temperatures of annealing T = 500 and 850 ?С in the interlayer chemical interaction, phases of epitaxial cubic compounds CoPt 3 (L1 2 ) are formed. The annealingof the samestructures with1/1 ratio leads to the formationof the second phaseCoPt(L1 0 )withtetragonal distortion. The newly formedL1 0 CoPtphasegrowsepitaxiallyon the base of the pre-synthesized L1 2 CoPt 3 phasewith the sameorientation relationship. The peculiarity of the films withatomic ratio Co / Pt = 1/1at T =850°Cis the presence of“perpendicular” anisotropy due tothe exchange interactionof twoformed ordered phasesCoPt (111) and CoPt 3 (111).
Исходные плёночные структуры получены последовательным термическим осаждением слоя Со с кубической кристаллической решеткой и Pt(111) из мишени, распыляемой с использованием методики магнетронного распыления на монокристаллическую подложку MgO(001) в вакууме 10 -6 торр. В экспериментах использовались образцы с 1Со:3Pt и 1Со:1Pt атомным отношением общей толщиной порядка 300 нм. Рентгеноструктурные исследования показали, что в двухслойных структурах с атомным соотношением реагентов 1/3, при температурах отжига при Т = 500 и 850 о С в результате межслойного химического взаимодействия формируются фазы эпитаксиального кубического соединения CoPt 3 (L1 2 ). Отжиги этих же структур с соотношением 1/1 приводят к формированию второй фазы СoPt (L1 0 ) с тетрагональным искажением. Вновь сформированная L1 0 CoPt фаза растет эпитаксиально на базе предварительно синтезированной L1 2 CoPt 3 фазе с тем же ориентационном соотношением. Особенностями пленки с атомным соотношением Co/Pt = 1/1 при Т = 850 о С является наличие «перпендикулярной» анизотропии, обусловленной обменным взаимодействием двух сформированных упорядоченных фаз CoPt(111) и CoPt 3 (111).

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences
Reshetnev Siberian State Aerospace University

Доп.точки доступа:
Zhigalov, V. S.; Жигалов, Виктор Степанович; Strekaleva, T. V.; Стрекалева Т.В.; Бородина А. О.
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    Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4 : Yb3+/Ho3+ phosphors / M. Guan [et al.] // RSC Adv. - 2015. - Vol. 5, Is. 73. - P. 59403-59407, DOI 10.1039/c5ra08467a. - Cited References:25. - This present work was supported by the National Natural Science Foundations of China (Grant no. 51202226), the Fundamental Research Funds for the Central Universities (Grant no. 2652014125, 2652013128, 2652013043), and the Research Fund for the Doctoral Program of Higher Education of China (Grant no. 20130022110006). . - ISSN 2046-2069
   Перевод заглавия: Структура зависящая от Ca/Sr соотношения и люминесценция с апконверсией в люминофоре (Ca1-xSrx)In2O4: Yb3+/Ho3+

РУБ Chemistry, Multidisciplinary
Рубрики:
CO-DOPED CAIN2O4
   ENERGY-TRANSFER
   PHOTOLUMINESCENCE
   EMISSION
   SRIN2O4
Аннотация: Up-conversion (UC) phosphors of (Ca1-xSrx)In2O4 : Yb3+/Ho3+ (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0) were prepared. Based on the crystal structure evolution of these series solid solution samples, which were characterized by Rietveld refinement, the variation of UC luminescent properties was discussed in detail. Sr and Ca occupied one position and Yb/Ho dissolved in the In ion site in the (Ca1-xSrx)In2O4 lattice. With increasing Sr substituting Ca atoms, the cell parameters and cell volumes of these samples increased linearly, and distortions of (Ca/Sr)O-8 polyhedron were formed. The distortions on crystal structures showed a negative relation with UC luminescent intensities in these series phosphors.

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Держатели документа:
China Univ Geosci, Natl Lab Mineral Mat, Beijing Key Lab Mat Utilizat Nonmetall Minerals &, Sch Mat Sci & Technol, Beijing 100083, Peoples R China.
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Univ Auckland, Dept Chem & Mat Engn, Auckland 1142, New Zealand.

Доп.точки доступа:
Guan, Ming; Zheng, Hong; Huang, Zhaohui; Ma, Bin; Molokeev, M. S.; Молокеев, Максим Сергеевич; Huang, Saifang; Mei, Lefu
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    Co-substitution in Ca1−xYxAl12−xMgxO19 phosphors: local structure evolution, photoluminescence tuning and application for plant growth LEDs / Y. Zheng [et al.] // J. Mater. Chem. C. - 2018. - Vol. 6, Is. 15. - P. 4217-4224, DOI 10.1039/c8tc00165k. - Cited References: 47. - The present work was supported by the National Natural Science Foundation of China (Grant No. 21671070), the Project for Construction of High-level University in Guangdong Province, and the Teamwork Projects funded by the Guangdong Natural Science Foundation (Grant No. S2013030012842), and the Guangzhou Science & Technology Projects (No. 201704030086, 201605030005), and the reported study was funded by the RFBR according to the research project 17-52-53031. Special Funds for the Cultivation of Guangdong College Students’ Scientific and Technological Innovation (‘‘Climbing Program’’ Special Funds) were granted for Dr Yinjian Zheng. . - ISSN 2050-7534
   Перевод заглавия: Созамещение в Ca1−xYxAl12−xMgxO19 люминофорах: локальная структура, настройка фотолюминесценции и применение светодиодов для роста растений
Кл.слова (ненормированные):
CO substitution -- Crystal structure transformation -- High temperature solid-state reaction -- Lighting systems -- Local structure -- Luminescence measurements -- Structural refinement -- Tunable luminescences
Аннотация: Herein, Mn4+-activated Ca1-xYxAl12-xMgxO19 (x = 0-0.50) solid solutions were prepared using a conventional high-temperature solid-state reaction. Crystal structure transformation via chemical co-substitution of Y3+/Mg2+ for Ca2+/Al3+ was investigated in detail. The optical properties of Ca1-xYxAl12-xMgxO19 (x = 0-0.50) have been reported for the first time using a combination of techniques including structural refinement and luminescence measurements. Co-doping of Mg and Y cations within the CaAl12O19 host in a controlled manner resulted in the as-prepared samples with red/far-red ratio-tunable luminescence properties. The emission bands well-matched with the absorption band of phytochrome. Interestingly, enhanced Mn4+ luminescence can be obtained upon the addition of Mg2+ and Y3+. Unexpectedly, the quantum yields exhibit a slight change when x is in the range from 0.05 to 0.40; this indicates that these solid solutions have significant potential as lighting systems for plant growth.

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Guangdong Provincial Engineering Technology Research Center for Optical Agricultural, College of Materials and Energy, South China Agricultural University, Guangzhou, China
School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Zheng, Y.; Zhang, H.; Xia, Z.; Liu, Y.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lei, B.
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10.

    Complex of Ca(II) with ceftriaxone: Synthesis, structure, spectral and antibacterial properties / G. V. Novikova, D. I. Tsyplenkova, A. A. Kuzubov [и др.] // J. Sib. Fed. Univ. Chem. - 2021. - Vol. 14, Is. 3. - P. 290-301 ; Журн. СФУ. Химия, DOI 10.17516/1998-2836-0238. - Cited References: 39. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-43-240007 . - ISSN 1998-2836. - ISSN 2313-6049
   Перевод заглавия: Комплекс Ca(II) с цефтриаксоном: синтез, структура, спектральные и антибактериальные свойства

РУБ Chemistry, Multidisciplinary
Рубрики:
BASIS-SETS
   ALGORITHM
   1ST-ROW
   CALCIUM
Кл.слова (ненормированные):
ceftriaxone -- calcium -- DFT -- IR spectroscopy -- luminescence properties -- antibacterial screening -- цефтриаксон -- кальций -- теория функционала плотности -- ИК-спектроскопия -- люминесцентные свойства -- антибактериальный скрининг
Аннотация: The calcium complex of ceftriaxone was synthesized and characterized by elemental, atomic-emission analysis, TGA, IR spectroscopy and density functional theory calculations. The luminescence and antibacterial properties of the ceftriaxone disodium and calcium complex wcrc investigated. Ca(II) complex was obtained in a crystalline form, cell parameters of the compound were determined. Ceftriaxone was coordinated to the calcium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and the oxygens of the lactam carbonyl and carboxylate groups. The complex of Ca(II) with ceftriaxone was screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa, and the results were compared with the activity of ceftriaxone disodium salt.
Кальциевый комплекс цефтриаксона был синтезирован и охарактеризован с помощью элементного, атомно-эмиссионного анализа, ТГА, ИК‑спектроскопии и расчетов теории функционала плотности. Исследованы люминесцентные и антибактериальные свойства динатриевой соли цефтриаксона и комплекса цефтриаксона с кальцием. Комплекс Ca(II) получен в кристаллическом виде, определены параметры кристаллической решетки соединения. Цефтриаксон координировался к иону кальция через атом кислорода триазинового цикла в 6-м положении, атом азота аминогруппы тиазольного кольца и атомами кислорода карбонильной и карбоксилатной групп. Комплекс Са(II) с цефтриаксоном обладает антибактериальной активностью против Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa, полученные результаты сравнивали с активностью динатриевой соли цефтриаксона.

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Держатели документа:
Siberian Fed Univ, Sch Nonferrous Met & Mat Sci, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, LV Kirensky Inst Phys SB RAS, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Sci Res Inst Med Problems North, Krasnoyarsk, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Inst Chem & Chem Technol SB RAS, Krasnoyarsk, Russia.

Доп.точки доступа:
Novikova, Galina, V; Tsyplenkova, Darya, I; Kuzubov, A. A.; Кузубов, Александр Александрович; Kolenchukova, Oksana A.; Samoilo, Alexander S.; Vorobyev, Sergey A.; RFBR, Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [20-43-240007]

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