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Nanoscience and Technology: An International Journal

Publicou 4 edições por ano

ISSN Imprimir: 2572-4258

ISSN On-line: 2572-4266

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.3 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.7 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 0.7 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00023 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.11 SJR: 0.244 SNIP: 0.521 CiteScore™:: 3.6 H-Index: 14

Indexed in

ADSORPTION AND DIFFUSION OF BENZYLPENICILLIN IN NANOPOROUS SILICON

Volume 11, Edição 1, 2020, pp. 23-36
DOI: 10.1615/NanoSciTechnolIntJ.2020033282
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RESUMO

Molecular dynamics simulation of the benzylpenicillin adsorption and transport in nanoporous silicon has been carried out. For μs-scale simulations, the coarse-grained model was developed in which the benzylpenicillin molecule was represented as a material point and its motion in an aqueous solution was described by the Langevin dynamics. The interactions of molecules with each other and with the silicon surface were described by potential functions obtained from all-atom simulations. Nanopores had a cylindrical shape, their diameter ranged from 10 to 50 nm. It was found that near the surface of cylindrical nanopores benzylpenicillin forms an adsorbed layer of molecules with a local density exceeding the average value by almost an order of magnitude. The density of molecules in the adsorbed layer and their diffusion mobility increase with increasing nanopore diameter. The duration of the complete molecule release increases nonlinearly with an increase in the length of the nanopore and the initial density of molecules in its space.

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