343 research outputs found

    Geometric model of quantum navigation during (anti-)search on a plane

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    A model of joint random walk of two agents on an infinite plane is considered. The agents possess no means of mutual classical communication, but have access to quantum entanglement resource which is used according to a pre-arranged protocol. Depending on the details of the protocol, an effective force of attraction or repulsion emerges between the two agents. The emergence of this force from quantum entanglement is interpreted in terms of spherical or hyperbolic geometries for attraction or repulsion, respectively.Comment: 4 pages, 3 figure

    The theoretical DFT study of electronic structure of thin Si/SiO2 quantum nanodots and nanowires

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    The atomic and electronic structure of a set of proposed thin (1.6 nm in diameter) silicon/silica quantum nanodots and nanowires with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), was studied in cluster and PBC approaches using B3LYP/6-31G* and PW PP LDA approximations. The total density of states (TDOS) of the smallest quasispherical silicon quantum dot (Si85) corresponds well to the TDOS of the bulk silicon. The elongated silicon nanodots and 1D nanowires demonstrate the metallic nature of the electronic structure. The surface oxidized layer opens the bandgap in the TDOS of the Si/SiO2 species. The top of the valence band and the bottom of conductivity band of the particles are formed by the silicon core derived states. The energy width of the bandgap is determined by the length of the Si/SiO2 clusters and demonstrates inverse dependence upon the size of the nanostructures. The theoretical data describes the size confinement effect in photoluminescence spectra of the silica embedded nanocrystalline silicon with high accuracy.Comment: 22 pages, 5 figures, 1 tabl

    «Чёрные лебеди» организационного дизайна российских университетов

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    Universities in Russia are experiencing a dynamic transformation of scientific and educational processes, their structures, and management systems. These changes occur at different rates and levels of transformation; they allow for both positive and negative transformation scenarios. A general trend to develop university’s management systems in the country – as well as in the whole world – lies in the manageralization, which poses risks for transforming a university. Following Mintzberg’s methodology for analyzing organizational systems and Taleb’s concept of “black swans”, the paper aimed to analyze degradation scenarios for developing university’s management systems and identify factors and conditions for these scenarios and their consequences for universities. © 2021 Moscow Polytechnic University. All rights reserved

    “Black Swans” in Organizational Design of Russian Universities

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    Universities in Russia are experiencing a dynamic transformation of scientific and educational processes, their structures, and management systems. These changes occur at different rates and levels of transformation; they allow for both positive and negative transformation scenarios. A general trend to develop university’s management systems in the country – as well as in the whole world – lies in the managerialization, which poses risks for transforming a university. Following Mintzberg’s methodology for analyzing organizational systems and Taleb’s concept of “black swans”, the paper aimed to analyze degradation scenarios for developing university’s management systems and identify factors and conditions for these scenarios and their consequences for universities

    Stable maintenance of de novo assembled human artificial chromosomes in embryonic stem cells and their differentiated progeny in mice

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    De novo assembled alphoid(tetO)-type human artificial chromosomes (HACs) represent a novel promising generation of high capacity episomal vectors. Their function and persistence, and any adverse effects, in various cell types in live animals, have not, however, been explored. In this study we transferred the alphoid(tetO)-HAC into mouse ES cells and assessed whether the presence of this extra chromosome affects their pluripotent properties. Alphoid(tetO)-HAC-bearing ES cells were indistinguishable from their wild-type counterparts: they retained self-renewal potential and full capacity for multilineage differentiation during mouse development, whereas the HAC itself was mitotically and transcriptionally stable during this process. Our data provide the first example of fully synthetic DNA behaving like a normal chromosome in cells of living animals. It also opens a new perspective into functional genetic studies in laboratory animals as well as stem cell-based regenerative medicine

    Computational approach to design of aptamers to the receptor binding domain of sars-cov-2

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    The aim of the research. In this work, in silico selection of DNA-aptamers to the receptor-binding domain (RBD) of the SARS-CoV-2 spike protein was performed using molecular modeling methods. Material and methods. A new computational approach to aptamer in silico selection is based on a cycle of simulations, including the stages of molecular modeling, molecular docking, molecular dynamic simulations, and quantum chemical calculations. To verify the obtained calculated results flow cytometry, fluorescence polarization, and small-angle X-ray scattering methods were applied. Results. An initial library consisted of 256 16-mer oligonucleotides was modeled. Based on molecular docking results, the only one aptamer (Apt16) was selected from the library as a starting aptamer to the RBD protein. For Apt16/RBD complex, molecular dynamic and quantum chemical calculations revealed the pairs of nucleotides and amino acids whose contribution to the binding between aptamer and RBD is the largest. Taking into account these data, Apt16 was subjected to the structure modifications in order to increase the binding with the RBD. Thus, a new aptamer Apt25 was designed. The procedure of 1) aptamer structure modeling/modification, 2) molecular docking, 3) molecular dynamic simulations, 4) quantum chemical calculations was performed sev-eral times. As a result, four aptamers (Apt16, Apt25, Apt27, Apt31) to the RBD were designed in silico without any preliminary experimental data. Binding of the each modeled aptamer to the RBD was studied in terms of interactions between residues in protein and nucleotides in the aptamers. Based on the simulation results, the strongest binding with the RBD was predicted for two Apt27 and Apt31aptamers. The calculated results are in good agreement with experimental data obtained by flow cytometry, fluorescence polarization, and small-angle X-ray scattering methods. Conclusion. The proposed computational approach to selection and refinement of aptamers is universal and can be used for wide range of molecular ligands and targets. Key words
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