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10.1038/s41598-021-81617-6 http://scihub22266oqcxt.onion/10.1038/s41598-021-81617-6 33483539!7822900!33483539     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Sci+Rep 2021 ; 11 (1): 2131 Nephropedia Template TP {{tp|p=33483539|t=2021. First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles |pdf=|usr=}}{{33483539}} gab.com Text First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=33483539 #FOAvip From the first month of the COVID-19 pandemic, the potential antiviral properties of hydroxychloroquine (HCQ) and chloroquine (CQ) against SARS-CoV-2 suggested that these drugs could be the appropriate therapeutic candidates. However, their side effects directed clinical tests towards optimizing safe utilization strategies. The noble metal nanoparticles (NP) are promising materials with antiviral and antibacterial properties that can deliver the drug to the target agent, thereby reducing the side effects. In this work, we applied both the quantum mechanical and classical atomistic molecular dynamics approaches to demonstrate the adsorption properties of HCQ/CQ on Ag, Au, AgAu, and Pt nanoparticles. We found the adsorption energies of HCQ/CQ towards nanoparticles have the following trend: PtNP > AuNP > AuAgNP > AgNP. This shows that PtNP has the highest affinity in comparison to the other types of nanoparticles. The (non)perturbative effects of this drug on the plasmonic absorption spectra of AgNP and AuNP with the time-dependent density functional theory. The effect of size and composition of NPs on the coating with HCQ and CQ were obtained to propose the appropriate candidate for drug delivery. This kind of modeling could help experimental groups to find efficient and safe therapies. Twit Text FOAVip First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=33483539 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33483539 #FOAvip English Wikipedia <ref>{{Cite pmid|33483539}}</ref> First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles #MMPMID33483539 Morad R; Akbari M; Rezaee P; Koochaki A; Maaza M; Jamshidi Z Sci Rep 2021[Jan]; 11 (1): 2131 PMID33483539show ga From the first month of the COVID-19 pandemic, the potential antiviral properties of hydroxychloroquine (HCQ) and chloroquine (CQ) against SARS-CoV-2 suggested that these drugs could be the appropriate therapeutic candidates. However, their side effects directed clinical tests towards optimizing safe utilization strategies. The noble metal nanoparticles (NP) are promising materials with antiviral and antibacterial properties that can deliver the drug to the target agent, thereby reducing the side effects. In this work, we applied both the quantum mechanical and classical atomistic molecular dynamics approaches to demonstrate the adsorption properties of HCQ/CQ on Ag, Au, AgAu, and Pt nanoparticles. We found the adsorption energies of HCQ/CQ towards nanoparticles have the following trend: PtNP > AuNP > AuAgNP > AgNP. This shows that PtNP has the highest affinity in comparison to the other types of nanoparticles. The (non)perturbative effects of this drug on the plasmonic absorption spectra of AgNP and AuNP with the time-dependent density functional theory. The effect of size and composition of NPs on the coating with HCQ and CQ were obtained to propose the appropriate candidate for drug delivery. This kind of modeling could help experimental groups to find efficient and safe therapies. |*COVID-19 Drug Treatment[MESH] |Adsorption[MESH] |Antiviral Agents/*chemistry/therapeutic use[MESH] |Gold/chemistry[MESH] |Humans[MESH] |Hydroxychloroquine/*chemistry/therapeutic use[MESH] |Metal Nanoparticles/chemistry[MESH] |Molecular Dynamics Simulation[MESH] |Pandemics[MESH] |Platinum/chemistry[MESH] |Quantum Theory[MESH] |SARS-CoV-2/*physiology[MESH]First principle simulation of coated hydroxychloroquine on Ag, Au and (epmc).pdf DeepDyve Pubget Overpricing