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1.
Journal of Scientometric Research ; 11(1):47-54, 2022.
Article in English | Web of Science | ID: covidwho-1897066

ABSTRACT

This study aims to analyze the dynamics of the published articles and preprints of Covid-19 related literature from different scientific databases and sharing platforms. The PubMed, ScienceDirect, and ResearchGate (RG) databases were under consideration in this study over a specific time. Analyses were carried out on the number of publications as (a) function of time (day), (b) journals and (c) authors. Doubling time of the number of publications was analyzed for PubMed "all articles" and ScienceDirect published articles. Analyzed databases were (1A) PubMed (01/12/2019-12/06/2020) "all_articles" (16) PubMed Review articles) and (1C) PubMed Clinical Trials (2) ScienceDirect all publications (01/12/2019- 25/05/2020) (3) RG (Article, Pre Print, Technical Report) (15/04/2020 - 30/4/2020). Total publications in the observation period for PubMed, ScienceDirect, and RG were 23000, 5898 and 5393 respectively. The average number of publications/day for PubMed, ScienceDirect and RG were 70.0 +/- 128.6, 77.6 +/- 125.3 and 255.6 +/- 205.8 respectively. PubMed shows an avalanche in the number of publications around May 10, the number of publications jumped from 6.0 +/- 8.4/day to 282.5 +/- 110.3/ day. The average doubling time for PubMed, ScienceDirect, and RG was 10.3 +/- 4 days, 20.6 days, and 2.3 +/- 2.0 days respectively. The average number of publications per author for PubMed, ScienceDirect, and RG was 1.2 +/- 1.4, 1.3 +/- 0.9, and 1.1 +/- 0.4 respectively. Subgroup analysis, PubMed review articles mean review <0 vertical bar 17 +/- 17 vertical bar 77> days: and reducing at a rate of -0.21 days (count)/day. The number of publications related to the COVID-19 until now is huge and growing very fast with time. It is essential to rationalize and limit the publications.

2.
Journal of Molecular Structure ; : 132678, 2022.
Article in English | ScienceDirect | ID: covidwho-1700061

ABSTRACT

Studies of the geometrical, vibration, absorption and physicochemical properties of 2-deoxy-D-glucose with and without metal clusters are reported using the DFT method. 2-Deoxy-D-glucose forms stable clusters with transition metal clusters of copper, silver and gold. Frontier molecular orbitals and molecular electrostatic potential of 2-deoxy-D-glucose and associated metal clusters (Cu6, Au6, Ag6, 2-DGCu6, 2-DGCu5Au, 2-DGCu5Ag, 2-DGAu6, 2-DGAu5Ag, 2-DGAu5Cu, 2 -DGAg6, 2-DGAg5Au, 2-DGAg5Cu) are examined with the B3LYP / LANL2DZ basis set. It is observed that the stability and chemical properties of 2-deoxy-D-glucose strongly depends on the cluster size. The molecular electrostatic potential maps were developed to provide information about the chemical reactivity of the molecules to explain intermolecular interactions. Then, to explore the ligand-protein recognition properties molecular docking and molecular dynamic (MD) simulation analyses have shown that the compound under consideration possesses potential activity as anti-cancer, anti-SARS-CoV-2, anti-SARS-CoV. Each of these analyzes contributes significantly to our understanding of the biological effects of the molecules outlined.

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