scholarly journals Size-dependent electron transfer from atomically defined nanographenes to metal oxide nanoparticles

Nanoscale ◽  
2020 ◽  
Vol 12 (30) ◽  
pp. 16046-16052
Author(s):  
Peng Han ◽  
Xuelin Yao ◽  
Klaus Müllen ◽  
Akimitsu Narita ◽  
Mischa Bonn ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Metal Oxide ◽  
Metal Oxide Nanoparticles ◽  
Oxide Nanoparticles ◽  
Oxide Electrode ◽  
Size Dependent ◽  
Mesoporous Oxide ◽  
First Time

We analyze for the first time size-dependent electron transfer from atomically precise nanographenes to a mesoporous oxide electrode.

Combining Features of Metal Oxide Nanoparticles

2021 ◽  
pp. 317-329
Author(s):  
Victor E Kuz'min ◽  
Liudmila N Ognichenko ◽  
Natalia Sizochenko ◽  
Valery A. Chapkin ◽  
Sergii I. Stelmakh ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Ionic Radius ◽  
Metal Oxide Nanoparticles ◽  
Structural Formula ◽  
Structural Features ◽  
Oxide Nanoparticles ◽  
Qsar Modeling ◽  
E Coli ◽  
Size Dependent ◽  
Qsar Models

A poor applicability of classic 2D descriptors for representation of metal oxide nanoparticles is briefly discussed. The combination of 1D descriptors with previously calculated size-dependent descriptors is utilized to represent the structural features of nanoparticles in QSAR modeling. For this purpose, descriptors based on the fundamental characteristics of atoms (nuclear charge, oxidation level, electronegativity, ionic radius, ionic refraction etc.) were combined with those derived from structural formula (doublets –A2, AB, …; triplets – A3, A2B, ABC, … etc.) and “liquid drop model” derived size-dependent parameters. Nano-QSAR models are developed for cytotoxicity of metal oxide nanoparticles against E. coli and HaCaT cells. Two developed nano-QSAR models are discussed in terms of cluster analysis.

Combining Features of Metal Oxide Nanoparticles

2019 ◽  
Vol 4 (1) ◽  
pp. 28-40 ◽  
Author(s):  
Victor E Kuz'min ◽  
Liudmila N Ognichenko ◽  
Natalia Sizochenko ◽  
Valery A. Chapkin ◽  
Sergii I. Stelmakh ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Liquid Drop ◽  
Metal Oxide Nanoparticles ◽  
Structural Formula ◽  
Structural Features ◽  
Oxide Nanoparticles ◽  
Qsar Modeling ◽  
E Coli ◽  
Size Dependent ◽  
Qsar Models

A poor applicability of classic 2D descriptors for representation of metal oxide nanoparticles is briefly discussed. The combination of 1D descriptors with previously calculated size-dependent descriptors is utilized to represent the structural features of nanoparticles in QSAR modeling. For this purpose, descriptors based on the fundamental characteristics of atoms (nuclear charge, oxidation level, electronegativity, ionic radius, ionic refraction etc.) were combined with those derived from structural formula (doublets –A2, AB, …; triplets – A3, A2B, ABC, … etc.) and “liquid drop model” derived size-dependent parameters. Nano-QSAR models are developed for cytotoxicity of metal oxide nanoparticles against E. coli and HaCaT cells. Two developed nano-QSAR models are discussed in terms of cluster analysis.

Star fruit extract-mediated green synthesis of metal oxide nanoparticles

2021 ◽  
pp. 1-8
Author(s):  
Sagadevan Suresh ◽  
Selvaraj Vennila ◽  
J. Anita Lett ◽  
Is Fatimah ◽  
Faruq Mohammad ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Green Synthesis ◽  
Metal Oxide Nanoparticles ◽  
Oxide Nanoparticles ◽  
Fruit Extract ◽  
Star Fruit

Quantum mechanics descriptors in a nano-QSAR model to predict metal oxide nanoparticles toxicity in human keratinous cells

2021 ◽  
Vol 23 (8) ◽  
Author(s):  
Eliecer Peláez Sifonte ◽  
Fidel Antonio Castro-Smirnov ◽  
Argenis Adrian Soutelo Jimenez ◽  
Héctor Raúl González Diez ◽  
Fernando Guzmán Martínez
Keyword(s):  
Quantum Mechanics ◽  
Metal Oxide ◽  
Metal Oxide Nanoparticles ◽  
Qsar Model ◽  
Oxide Nanoparticles ◽  
Nanoparticles Toxicity
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