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11.
Automation and Remote Control - A linear-quadratic positional differential game of three persons is considered. Coefficient criteria are established under which there is no Nash equilibrium... 相似文献
12.
Blagoveshchenskii D. I. Kozlovskii V. N. Vasin S. A. 《Russian Engineering Research》2021,41(12):1255-1259
Russian Engineering Research - Digital tools for managing improvements in automobile production are developed. An operative tool provides warnings regarding the operational quality of the vehicles... 相似文献
13.
Dr. Laurent David Dr. Mark Wenlock Dr. Patrick Barton Dr. Andreas Ritzén 《ChemMedChem》2021,16(17):2669-2685
Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Å2 was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R2=0.92) with an experimental measure of hydrogen bond donor potential, Δlog Poct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility. 相似文献
14.
Zhuchkov V. I. Nazansky S. L. Frolkova A. K. Ganina K. D. 《Theoretical Foundations of Chemical Engineering》2021,55(4):786-791
Theoretical Foundations of Chemical Engineering - Using gas–liquid chromatography, the activity coefficients upon the infinite dilution of the components of the reaction mixture for obtaining... 相似文献
15.
Olga Yu Kurapova Sergey M. Shugurov Evgenia A. Vasil'eva Daniil A. Savelev Vladimir G. Konakov Sergey I. Lopatin 《Ceramics International》2021,47(8):11072-11079
Ceria-based solid solutions are important materials for high- and medium-temperature electrochemical applications. However, the stabilities of both binary and ternary ceria-based solid solutions are insufficient at elevated temperatures, which limits their application as solid electrolytes or SOFC cathodes. Data on the high-temperature stability of ceria-based ceramics are unavailable in the literature. In the present study, we report a thermodynamic stability investigation of Y2O3-CeO2 and Y2O3-ZrO2-CeO2 solid solutions. The thermal prehistories of binary and ternary systems were investigated using STA, XRD, and ESCA techniques. The vaporization processes were investigated in the temperature range of 1577–2227°С via the Knudsen effusion mass spectrometry technique. Using data on the component activity in solid-phase thermodynamic properties of Y2O3-CeO2 solid solutions, which is represented as the Gibbs energy, the excess Gibbs energy was calculated as a function of the ceria mol. %. It was shown that the reduction of Ce4+ to Ce3+ in Y2O3-CeO2 and Y2O3-ZrO2-CeO2 solid solutions corresponds to less-negative Gibbs energy compared to ZrO2-CeO2 solid solutions. 相似文献
16.
Journal of Signal Processing Systems - Convolutional Neural Networks (CNNs) have improved several computer vision applications, like object detection and classification, when compared to other... 相似文献
17.
Matteo Di Giosia Alice Soldà Markus Seeger Andrea Cantelli Fabio Arnesano Maria I. Nardella Vincenzo Mangini Francesco Valle Marco Montalti Francesco Zerbetto Stefania Rapino Matteo Calvaresi Vasilis Ntziachristos 《Advanced functional materials》2021,31(20):2101527
Fullerenes are candidates for theranostic applications because of their high photodynamic activity and intrinsic multimodal imaging contrast. However, fullerenes suffer from low solubility in aqueous media, poor biocompatibility, cell toxicity, and a tendency to aggregate. C70@lysozyme is introduced herein as a novel bioconjugate that is harmless to a cellular environment, yet is also photoactive and has excellent optical and optoacoustic contrast for tracking cellular uptake and intracellular localization. The formation, water-solubility, photoactivity, and unperturbed structure of C70@lysozyme are confirmed using UV-visible and 2D 1H, 15N NMR spectroscopy. The excellent imaging contrast of C70@lysozyme in optoacoustic and third harmonic generation microscopy is exploited to monitor its uptake in HeLa cells and lysosomal trafficking. Last, the photoactivity of C70@lysozyme and its ability to initiate cell death by means of singlet oxygen (1O2) production upon exposure to low levels of white light irradiation is demonstrated. This study introduces C70@lysozyme and other fullerene-protein conjugates as potential candidates for theranostic applications. 相似文献
18.
Bosyakova N. A. Pomortsev S. A. Gizatullin R. G. Klyosov Yu. L. Laptov S. V. Kashcheev I. D. Zemlyanoi K. G. 《Refractories and Industrial Ceramics》2021,62(4):381-383
Refractories and Industrial Ceramics - Technology for producing alumina-periclase-carbon refractories of the brands APUK-D and APU-D is developed and implemented. Use of complex antioxidant and... 相似文献
19.
N.A. Zhuk M.G. Krzhizhanovskaya N.A. Sekushin V.V. Kharton B.A. Makeev V.A. Belyy R.I. Korolev 《Ceramics International》2021,47(14):19424-19433
The solid solutions based on the pyrochlore-type system Bi2MgNb2-xTaxO9 were formed in the compositional range х = 0–2.0 (Bi1·6Mg0·8Nb1.6-tTatO7.2, t = 0–1.6). The Rietveld method was used to refine the structure for Bi2MgNb2-xTaxO9 (x = 0, 1.0, 2.0). The increasing tantalum content led to the slight decrease in the cubic unit cell parameters from 10.56934 (4) Å for x = 0 and 10.54607 (3) Å for x = 2 (sp.gr. Fd-3m:2). At the same time, tantalum additions suppressed grain growth in the pyrochlore ceramics during sintering and made it possible to obtain materials with an average grain size of 1–2 μm (Bi1·6Mg0·8Ta1·6O7.2). The increase in the Ta5+ concentration led to the decrease in the dielectric permeability from 104 (Bi1·6Mg0·8Nb1·6O7.2) to 20 (Bi1·6Mg0·8Ta1·6O7.2) at room temperature, while the dielectric loss tangent remained lower than 0.002, which is due to the small grain size and the high porosity of the samples. An increase in temperature has practically no effect on the values of the dielectric permittivity in the entire frequency range. The samples have weak through conductivity. The activation energies of electrical conductivity varied in the range of 0.84–1.00 eV, and the less tantalum, the lower the activation energy. The electrical properties of the samples at 200 Hz to 1 MHz are described by the simplest parallel scheme. 相似文献
20.
Zagidullin S. Kh. Dolganov V. L. Lozhkin I. G. 《Chemical and Petroleum Engineering》2022,57(9-10):765-769
Chemical and Petroleum Engineering - The hydrodynamics of oxidation towers used for bitumen production were studied using a model tower having transparent walls. Experiments were carried out in two... 相似文献