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81.
Structural Chemistry - The current work is focused on in silico modeling of COX-1 inhibitors with enhanced safety gastric profile. A 5-point pharmacophore model, atom-based 3D quantitative... 相似文献
82.
A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas–crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall–particle interactions and the gas density is determined. We find that alternating layers or bilayers of particles of the two components are formed, but the number of the adsorbed layers, their orientation and the ordered patterns formed inside these layers could be quite different for different substrates and gas density. Different structures are associated with different numbers of adsorbed layers, and for strong attraction the thickness of the adsorbed film can be as large as seven particle diameters. In all cases, similar amount of particles of the two components is adsorbed, because of the long-range attraction between different particles. 相似文献
83.
Application of ion mobility tandem mass spectrometry to compositional and structural analysis of glycopeptides extracted from the urine of a patient diagnosed with Schindler disease
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Maricel Agop Stefan Andrei Irimiciuc Adrian Ghenadi Luminita Bibire Stefan Toma Tudor-Cristian Petrescu Dorin Vaideanu Cristina Marcela Rusu Alina Gavrilut Decebal Vasincu 《Entropy (Basel, Switzerland)》2021,23(2)
In the framework of the multifractal hydrodynamic model, the correlations informational entropy–cross-entropy manages attractive and repulsive interactions through a multifractal specific potential. The classical dynamics associated with them imply Hubble-type effects, Galilei-type effects, and dependences of interaction constants with multifractal degrees at various scale resolutions, while the insertion of the relativistic amendments in the same dynamics imply multifractal transformations of a generalized Lorentz-type, multifractal metrics invariant to these transformations, and an estimation of the dimension of the multifractal Universe. In such a context, some correspondences with standard cosmologies are analyzed. Since the same types of interactions can also be obtained as harmonics mapping between the usual space and the hyperbolic plane, two measures with uniform and non-uniform temporal flows become functional, temporal measures analogous with Milne’s temporal measures in a more general manner. This work furthers the analysis published recently by our group in “Towards Interactions through Information in a Multifractal Paradigm”. 相似文献
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Alina Ponomareva Valeri Babushok Elizaveta Simonenko Nikolai Simonenko Vladimir Sevast’janov Olga Shilova Irina Kruchinina 《Journal of Sol-Gel Science and Technology》2018,87(1):74-82
Powders of Sm0.6Sr0.4CoO3-δ and La0.6Sr0.4CoO3-δ were synthesized using wet chemical technique. Structural and surface properties of synthesized materials were studied by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD), IR spectroscopy, and scanning electron microscopy (SEM). The influence of pH on the phase state, chemical composition, morphology, and fractal dimension of the synthesized powders were investigated. It was found that the change of pH has the influence on phase composition of synthesized powders. The increase of solution pH allows one to obtain homogeneous samples at lower temperatures down to 900–950?°C. 相似文献
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Vakhid A. Mamedov Dina F. Saifina Aidar T. Gubaidullin Alina F. Saifina Il’dar Kh. Rizvanov 《Tetrahedron letters》2008,49(43):6231-6233
A highly efficient one-step and versatile method for the synthesis of 2-(indolizin-2-yl)benzimidazoles has been developed on the basis of the novel ring contraction of 3-arylchloromethyl- and alkylchloromethylquinoxalin-2-ones with α-picoline. 相似文献