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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volova T. G., Zhila N. O., Shishatskaya E. I., Mironov P. V., Vasil'ev A. D., Sukovatyi A. G., Sinskey A. J.
Заглавие : The physicochemical properties of polyhydroxyalkanoates with different chemical structures
Место публикации : Polym. Sci. Ser. A: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 55, Is. 7. - P.427-437. - 11. - ISSN 0965-545X, DOI 10.1134/S0965545X13070080
Примечания : Cited References: 41
Предметные рубрики: MICROBIAL SYNTHESIS
RALSTONIA-EUTROPHA
COMAMONAS-ACIDOVORANS
AEROMONAS-HYDROPHILA
POLY(3-HYDROXYBUTYRATE-CO-4-HYDROXYBUTYRATE)
BIOSYNTHESIS
COPOLYMERS
POLY(3-HYDROXYBUTYRATE-CO-3-HYDROXYHEXANOATE)
POLYMERS
Аннотация: A set of polyhydroxyalkanoates are synthesized, and a comparative study of their physicochemical properties is performed. The molecular masses and polydispersities of polyhydroxyalkanoates are found to be independent of their chemical structures. It is shown that the temperature characteristics and degrees of crystallinity of polyhydroxyalkanoates are affected by the chemical compositions of the monomers and their quantitative contents in the polymers. The incorporation of 4-hydroxybutyrate, 3-hydroxyvalerate, and 3-hydroxyhexanoate units into the chain of poly(3-hydroxybutyrate) decreases its melting point and thermal degradation temperature relative to these parameters of a homogeneous poly(3-hydroxybutyrate) sample (175 +/- 5A degrees C and 275 +/- 5A degrees C, respectively). The higher the content of the second monomer units in the poly(3-hydroxybutirate) chain, the greater the changes. The degrees of crystallinity of polyhydroxyalkanoate copolymers are generally lower than that of poly(3-hydroxybutyrate) (75 +/- 5%). The effect on the ratio of the amorphous and crystalline phases of the copolymer samples becomes more pronounced in the series 3-hydroxy-valerate-3-hydroxyhexanoate-4-hydroxybutyrate. The prepared samples exhibit different properties ranging from rigid thermoplastic materials to engineering elastomers.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V., Sidorenko M. Y., Dmitrushkov M. S.
Заглавие : Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2·2Н2О and the complexes M(HTBA)2(H2O)2 (M = Ni, Co, Fe)
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2014. - Vol. 70. - P.71-76. - ISSN 0277-5387, DOI 10.1016/j.poly.2013.12.021
Примечания : Cited References: 32
Предметные рубрики: 2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
COLLECTION
POLYMERS
Ключевые слова (''Своб.индексиров.''): 2-thiobarbiturate complexes--3d elements--ir spectra--structure--synthesis--thermal stability
Аннотация: Four new compounds, the discrete complex [Ni(H2O) 6](HTBA)2 .2H2O (1) and the polymers Ni(H2O)2(HTBA-O,S)2 (2), Co(H 2O)2(HTBA-O,S)2 (3) and Fe(H2O) 2(HTBA-O,S)2 (4) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), have been synthesized and structurally characterized. The structure of 1 has been solved by X-ray single-crystal diffraction analysis. The Ni(H2O) 6 2+ cation has an almost ideal octahedral geometry, and there is no coordination of Ni(II) by HTBA- in 1. Complexes 2-4 have been characterized by powder XRD, TG-DSC and FT-IR. In the isostructural polymers 2-4, the metals are six-coordinated, and the octahedrons are connected by μ2-O,S bridging ligands. Each of the M(II) ions is surrounded by two water molecules, two O-coordinated HTBA- ions and two S-coordinated HTBA- ions, with all pairs being in trans-positions. Hydrogen bonding and π-π interactions play an important role for the construction of the supramolecular 3D structures of 2-4. The formation of the complexes has been evidenced by infrared spectroscopy. The thermal decomposition of 2-4 under oxidative conditions has been divided into three major stages: dehydration, oxidative degradation of the organic moiety and transformation of the inorganic residue. © 2013 Elsevier Ltd. All rights reserved.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Samoilo A. S., Atuchin V. V.
Заглавие : Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 6. - P.957-965. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2016.1149168
Примечания : Cited References: 42. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
THIOBARBITURIC ACID
THERMAL-PROPERTIES
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
NETWORKS
POLYMERS
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkaline earth metals--coordination compound--x-ray diffraction--thermal analysis
Аннотация: Two new isostructural complexes, [Ca(H2O)2(μ2-Detba-O,O′)2]n (1) and [Sr(H2O)2(μ2-Detba-O,O′)2]n (2) (HDetba = 1,3-diethyl-2-thiobarbituric acid), were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC, FT-IR, and emission spectroscopy. The single-crystal X-ray diffraction data revealed that 1 and 2 are polymeric where M2+ (M = Ca, Sr) is a six-coordinate octahedral binding four Detba− ions and two water molecules. The octahedra are linked through bridging Detba− ions forming a 2-D layer. Two intermolecular hydrogen bonds O–H…S in the crystal form a 3-D net. The comparison of M(Detba)2 and M(Htba)2 (H2tba = 2-thiobarbituric acid) structures showed that the coordination number of metals in M(Detba)2 does not exceed six and there are no π–π interactions, unlike compounds with Htba−; Detba− ions are only bridges in HDetba coordination compounds. Thermal decomposition of 1 and 2 includes dehydration, which mainly ends at 200 °C, and organic ligand oxidation at 300–350 °C with a release of CO2, SO2, H2O, NH3, and isocyanate. Upon excitation at 220 nm, 1 and 2 exhibit an intense emission maximum at 557 nm.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Krasnov, Pavel O., Visotin M. A., Tomilin F. N., Polyutov, Sergey P.
Заглавие : Thermoelectric and Plasmonic Properties of Metal Nanoparticles Linked by Conductive Molecular Bridges
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [16-13-00060]; Ministry of Science and High Education of the Russian Federation; FSRZ-2020-0008 (plasmonic properties)
Место публикации : Phys. Status Solidi B. - 2020. - Vol. 257, Is. 12. - Ст.2000249. - ISSN 0370-1972, DOI 10.1002/pssb.202000249. - ISSN 1521-3951(eISSN)
Примечания : Cited References: 53. - This study was supported by the Russian Science Foundation, project no. 16-13-00060 (thermoelectric properties), and by the Ministry of Science and High Education of the Russian Federation, project no. FSRZ-2020-0008 (plasmonic properties)
Предметные рубрики: POLYMERS
ARRAYS
RANGE
Аннотация: Thermoelectric and plasmonic properties of systems comprising small golden nanoparticles (NPs) linked by narrow conductive polymer bridges are studied using the original hybrid quantum-classical model. The bridges are considered here to be either conjugated polyacetylene, polypyrrole, or polythiophene chain molecules terminated by thiol groups. The parameters required for the model are obtained using density functional theory and density functional tight-binding simulations. Charge-transfer plasmons in the considered dumbbell structures are found to possess frequency in the infrared region for all considered molecular linkers. The appearance of plasmon vibrations and the existence of charge flow through the conductive molecule, with manifestation of quantum properties, are confirmed using frequency-dependent polarizability calculations implemented in the coupled perturbed Kohn-Sham method. To study the thermoelectric properties of the 1D periodical systems, a universal equation for the Seebeck coefficient is derived. The phonon part of the thermal conductivity for the periodical -NP-S-C8H8- system is calculated by the classical molecular dynamics. The thermoelectric figure of meritZTis calculated by considering the electrical quantum conductivity of the systems in the ballistic regime. It is shown that forAu309nanoparticles connected by polyacetylene, polypyrrole, or polythiophene chains atT = 300 K, the ZTvalue is {0.08;0.45;0.40}, respectively.
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