Онтологическое описание киберфизических систем на производстве Индустрии 4.0

Предлагается схема организации взаимодействия компонентов киберфизических систем на производстве на основе онтологий. Рассматривается производственное предприятие Индустрии 4.0 типа умная фабрика. Основное внимание в статье уделено взаимодействию цифровых двойников оборудования и цифровых двойников технологических процессов с реальным оборудованием предприятия

IN VIVO and IN VITRO 27AI NMR studies of aluminium(III) chelates of triazacyclononane polycarboxylate ligands

The metallic radioisotope of a known radiopharmaceutical chelate, 67Ga(NOTA) (NOTA=1,4,7-triazacyclonane-1,4,7-triacetic acid), used for tumor detection, was substituted by the chemically similar but non radioactive aluminum ion. Our aim was to detect and evaluate the in vivo behavior of the chelate. For this purpose, Al(NOTA) and the related chelate Al(NODASA) (NODASA=1,4,7-triazacyclononane-1-succinic acid-4,7-diacetic acid) were studied using in vitro and in vivo 27Al NMR spectroscopy in rats. Both chelates showed high stability towards acid catalyzed dissociation and their 27Al NMR resonances are characteristic of highly symmetrical species, with chemical shifts within the range for octahedral or pseudo-octahedral geometries. The thermodynamic stability constant of the novel chelate Al(NODASA) was estimated using 27Al NMR. The obtained value suggested that the chelate does not undergo in vivo demetalation by transferrin. The in vivo spectroscopic studies and the analysis of blood and urine samples for Al(III) concentrations indicated that the chelates remain intact under physiological conditions and that they are mainly eliminated from the body through the kidneys.Swiss National Science Foundation. NOVARTIS

Functionalised 2,2 `-bipyridine ligands for the preparation of metallostars; X-ray structures of free ligands and preparation of copper(I) and silver(I) complexes

2,2-Bipyridine ligands bearing functionalised aryl substituents have been prepared with the aim of subsequent functionalisation and the preparation of multinuclear metallostars. The key intermediates are compounds containing 4-methoxyphenyl substituents which may be converted to 4-hydroxyphenyl substituted ligands. Copper(I) and silver(I) complexes of 4,4`-di(methoxyphenyl)-6,6`-dimethyl-2,2`-bipyridine have been prepared and structurally characterised as have the ligands 4,4`-di(methoxypheny1)-6,6`-dimethyl-2,2`-bipyridine and 4,4`-di(methoxyphenyl)-2,2`-bipyridine

Programmed assembly of heteromultinuclear complexes using 4 `-diphenylphosphino-2,2 `: 6 `,2 ``-terpyridine

The complex [Ru(tpy)(1)](2+) (tpy = 2,2`:6`,2``-terpyridine; 1 = 4`-diphenylphosphino-2,2`:6`,2``-terpyridine) was prepared and reacted with trans-[PdCl2(NCMe)(2)] to give trans-[PdCl2(mu-1)Ru(tpy)(2)](4+) in high yield. With trans-[PtCl2(NCPh)(2)], Ru(tpy)(l)](2+) reacts to yield trans-[PtCl2(mu-1)Ru(tpy)(2)](4+) which isomerizes in acetone solution; equilibrium is reached after approximate to 10 days at room temperature with a 1:19 trans:cis-isomer ratio. The reaction of trans-[PtCl2(NCPh)(2)] with ligand 1 gives cis-[PtCl2(l)(2)l]. The single crystal structures of cis-[PtCl2(1)(2)]. H2O and cis-[PtCl2(1)(2)]. CH2Cl2. 1.6C(5)H(12) are described and significant differences in structure are observed dependent upon whether the solvate molecules are able to enter into hydrogen bonding interactions with the complex

Efficient syntheses of 4 `-(2-thienyl)- and 4 `-(3-thienyl)-2,2 `: 6 `, 2 ``-terpyridine: preparation and characterization of Fe(II), Ru(II), Os(II) and Co(II) complexes

Efficient and convenient methods for the preparation of thienyl-substituted 2,2`:6`,2``-terpyridines are reported. The formation and characterization of Fe(II), Ru(II), Os(II) and Co(II) complexes containing the isomeric ligands 4`-(2-thienyl)-2,2`:6`,2``-terpyridine (1) and 4-(3-thienyl)-2,2`:6`,2``-terpyridine (3) are described. The crystal structure of 3 is reported. During studies of possible routes to ligands 1 and 3, the reactions of thiophene-2-carbaldehyde or thiophene-3-carbaldehyde with 2-acetylpyridine under basic conditions led to 3-(2-thienyl)-1,5-bis(2-pyridyl)-2-(2-pyridylcarbonyl)cyclohexane-1,5-di ol or 3-(3-thienyl)-1,5-bis(2-pyridyl)-2-(2-pyridylcarbonyl)cyclohexane-1,5-di ol, respectively. These compounds have been fully characterized and their crystal structures have been determined. (C) 2003 Elsevier Ltd. All rights reserved

Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2 `: 6 `,2 ``-terpyridines

Two enantiomeric pairs of chiral terpy ligands (I and II; III and IV) bearing enantiopure bornyloxy substituents at the 6-position were prepared in high yield, stereoretentive reactions from (1R)-endo- or (1S)-endo- borneol; compounds I, II and III were structurally characterised. Dinuclear double helicates were formed upon reaction with copper(I) salts, but solvent-dependent and reversible formation of mononuclear or dinuclear double-helical complexes was observed with silver(I) salts. The double helicates are formed with good to excellent diastereoselectivity for helical chirality. With these 6-substituted ligands, double helicates can exist as head-to-head (HH) or head-to-tail (HT) isomers; in solution, the HT isomers are favored, although solid state interactions can overcome this preference

Chiral Bidentate (Phosphinophenyl)benzoxazine Ligands in Asymmetric Catalysis

The new chiral bidentate (phosphinoaryl)benzoxazine ligands 2 were applied in asymmetric catalysis. Rhodium and copper complexes catalyzed the hydrosilylation of acetophenone and [4+2] cycloadditions with moderate enantioselectivity. Iridium complexes were used to hyrogenate di-, tri-, and tetrasubstituted alkenes, giving products with moderate to high enantiomer excesses. Enantioselective allylic substitution and Heck reactions catalyzed by [(phosphinoaryl)benzoxazine]palladium complexes occurred with high enantioselectivities. The results were similar to those obtained with the corresponding dihydro(phosphinoaryl)oxazole ligands. Comparison of the structures of (diphenylallyl)(benzoxazine)palladium and (diphenylallyl)(dihydrooxazole)palladium complexes showed that the coordination geometries and the chiral environments of the metal centers are very similar, which explains why the enantioselectivities induced by the two ligand classes are in the same range