A STUDY OF STRUCTURAL FEATURES AND CHARGE CARRIER MOBILITY IN TETRAFLUORO-SUBSTITUTED COBALT PHTHALOCYANINE FILMS

Journal of Structural Chemistry - We present a comparative study of structural features and charge carrier mobilities in the films of cobalt phthalocyanine with F-substituents in peripheral...     

STRUCTURE AND THERMAL PROPERTIES OF VOLATILE MIXED-LIGAND MAGNESIUM COMPLEXES: EFFECT OF TERT-BUTYL AND PHENYL SUBSTITUTES IN A FLUORINATED β-DIKETONATE

Journal of Structural Chemistry - Structures of volatile mixed-ligand complexes of magnesium with N,N,N′,N′-tetramethylethylenediamine (tmeda) and fluorinated β-diketonate ligands...     

Feature selection for OPLS discriminant analysis of cancer tissue lipidomics data

The mass spectrometry‐based molecular profiling can be used for better differentiation between normal and cancer tissues and for the detection of neoplastic transformation, which is of great importance for diagnostics of a pathology, prognosis of its evolution trend, and development of a treatment strategy. The aim of the present study is the evaluation of tissue classification approaches based on various data sets derived from the molecular profile of the organic solvent extracts of a tissue. A set of possibilities are considered for the orthogonal projections to latent structures discriminant analysis: all mass spectrometric peaks over 300 counts threshold, subset of peaks selected by ranking with support vector machine algorithm, peaks selected by random forest algorithm, peaks with the statistically significant difference of the intensity determined by the Mann‐Whitney U test, peaks identified as lipids, and both identified and significantly different peaks. The best predictive potential is obtained for OPLS‐DA model built on nonpolar glycerolipids (Q² = 0.64, area under curve [AUC] = 0.95); the second one is OPLS‐DA model with lipid peaks selected by random forest algorithm (Q² = 0.58, AUC = 0.87). Moreover, models based on particular molecular classes are more preferable from biological point of view, resulting in new explanatory mechanisms of pathophysiology and providing a pathway analysis. Another promising features for OPLS‐DA modeling are phosphatidylethanolamines (Q² = 0.48, AUC = 0.86).     

Observation of subterahertz monochromatic transition radiation from a grating

Transition radiation appearing when a charged particle crosses the interface between two media with different dielectric constants, e.g., a metal–vacuum interface, has been well studied in a wide spectral range. However, primarily, radiation from smooth interfaces has been studied. Transition radiation from conducting gratings (grating transition radiation) is experimentally studied and theoretically analyzed in this work. In this case, it is possible to obtain monochromatic radiation with a tunable frequency depending on the rotation angle of the grating with respect to the electron momentum. Coherent grating transition radiation can be efficiently used as a source of terahertz radiation based on the use of a compact electron accelerator with an energy below 10 MeV and a bunch duration of ≤1 ps.     

SYNTHESIS AND STRUCTURE OF SALTS OF THE N,N′,N″-TRIS(4-(PHENYLDIAZENYL)PHENYL) IMIDOSULFITE ANION – AN ORGANIC ANALOGUE OF $$\mathbf{SO}_{\mathbf{3}}^{\mathbf{2}-}$$

Journal of Structural Chemistry - Reduction of 4,4′-bis-(phenyl azo)-diphenyl thiodiimide S(=N–C6H4–N=N–C6H5)2 (1) in tetrahydrofuran (ТHF) with potassium-intercalated...     

Unexpected results of the reactions of manganese and vanadium β-diketiminate halide complexes with Na[HBEt3]

The reaction of [(^Menacnac^Dipp)Mn(μ-Cl)]₂(2) (^Menacnac^Dipp = HC(C(Me)NDipp)₂; Dipp = 2,6-Prⁱ₂C₆H₃) with sodium triethylborohydride in a toluene—THF mixture afforded the complex [(^Menacnac^Dipp)Mn(μ-H)₂BEt₂(THF)] (3). The reaction of 2 with Na[HBEt₃] in toluene under THF-free conditions gave a mixture of products. The set and the ratio of these products in the resulting crystalline mixture were established by quantitative powder X-ray diffraction analysis: [(^Menacnac^Dipp)Mn(μ-H)]₂(1), [(^Menacnac^Dipp)?Mn(μ-H)₂BEt₂] (4), and unreacted compound 2 in the ratio of 15:4:1 and traces of an unknown crystalline phase. The reaction of [(^Menacnac^Dipp)VCl₂] (5) with Na[HBEt₃] yielded the compound [(^Menacnac^Dipp)V(μ-H)(μ,κ^1:1?C:C′?C₂H₄)BEt₂] (6) containing the unusual ligand [HBEt₂(CH₂CH₂)]^2?. The vanadium analog of compound 3, [(^Menacnac^Dipp)V(μ-H)₂BEt₂(THF)] (7), was isolated in one experiment. Besides. a small amount of the complex [(^Menacnac^Dipp)V(μ-H)BEt₃(THF)] (8) was detected in the mixture of crystalline products. The structures of compounds 3, 4, 6, 7, and 8 were determined by single-crystal X-ray diffraction.

     

Asymptotic method for solving problems with radial laminar jets of immiscible liquids

Two problems involving radial laminar jets of immiscible liquids are considered: a free radial slit jet and a jet on a rotating disk. An asymptotic method of solution is proposed that makes it possible to determine the flow parameters far from the source. The difference between these flows and those of homogeneous liquids is demonstrated.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 3, pp. 192–28, May–June, 1980.     

PHENYL-2-BENZOTHIAZOLE-BASED α-AMINOPHOSPHINES: SYNTHESIS,CRYSTAL STRUCTURE,AND PHOTOPHYSICAL PROPERTIES

Journal of Structural Chemistry - Condensation reactions of diphenylphosphine, 2-(benzo[d]thiazol-2-yl)aniline (NH2-pbt) and a series of aldehydes RC(O)H (R = phenyl, 2-furanyl...     

STRUCTURES AND THERMAL PROPERTIES OF SILVER(I) β-DIKETONATES WITH BULKY TERMINAL SUBSTITUENTS

Journal of Structural Chemistry - Silver β-diketonates [Ag(RC(O)CHC(O)R′)]∞ with bulky terminal substituents are synthesized and characterized: R = C(OCH3)(CH3)2,...