Nano-QSAR models for predicting cytotoxicity of metal oxide nanoparticles (MONPs) to E. coli

2017 ◽  
Vol 95 (8) ◽  
pp. 863-866 ◽  
Author(s):  
Zhengwei Zhou ◽  
Xinwen Tang ◽  
Wen Dai ◽  
Jingjie Shi ◽  
Haiqun Chen
Keyword(s):  
Metal Oxide ◽  
Molecular Descriptors ◽  
High Reliability ◽  
Human Life ◽  
Metal Oxide Nanoparticles ◽  
Predictive Performance ◽  
Basis Set ◽  
Support Vector ◽  
Oxide Nanoparticles ◽  
E Coli

Nanotechnology has been applied to many aspects of human life. Meanwhile, concerns regarding the toxicity of engineered nanomaterials to the environment have also been growing. Herein, an economic and convenient approach based on quantitative structure–activity relationship for nanomaterials (nano-QSAR) was proposed to evaluate the cytotoxicity of metal oxide nanoparticles (MONPs) to E. coli. Six molecular descriptors of 17 MONPs were selected and calculated using Gaussian98 software and DFT-B3LYP method on the LANL2DZ basis set. Two multivariable models, linear and nonlinear, were built based on the calculated molecular descriptors using multiple linear regression (MLR) and support vector machine (SVM) methods, respectively. Results demonstrated that both models presented high reliability, good predictive performance, and fine generalization ability, with all R2 values greater than 0.84. It was also revealed that the lowest unoccupied molecular orbital (LUMO) and molar heat capacity (Cp) were the two key descriptors influencing the cytotoxicity of MONPs.

scholarly journals Increasing the Shelf Life of Milk by Metal Oxide Nanoparticles and Mild Heat

2020 ◽  
Author(s):  
Mahbooubeh Mirhosseini ◽  
Roghayeh Dehestani
Keyword(s):  
Electron Microscopy ◽  
Antimicrobial Activity ◽  
Metal Oxide ◽  
Pathogenic Bacteria ◽  
Morphological Changes ◽  
Synergistic Effects ◽  
Metal Oxide Nanoparticles ◽  
Oxide Nanoparticles ◽  
E Coli ◽  
Mild Heat

Background: The spread of pathogenic microorganisms in food and beverage and their resistance to antibiotics have raised major concerns for public health. The aim of this study was to investigate the antimicrobial activity of various metal oxide nanoparticles (NPs) including zinc oxide (ZnO), magnesium oxide (MgO), and iron oxide (Fe2O3) NPs against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). Furthermore, the antimicrobial activity of these NPs in milk was studied along with mild heat. Methods: In this experimental study, the antibacterial activity of ZnO, MgO, and Fe2O3 NPs were initially evaluated by minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) methods. Later, the antimicrobial effect of these NPs was investigated in milk along with mild heating. To determine the morphological changes in S. aureus and E. coli, electron microscopy scanning was applied before and after the antimicrobial treatments. Results: The MBC and MIC values presented by Fe2O3, ZnO, and MgO NPs against pathogenic bacteria showed that MgO NPs were the most potent substances for inhibiting the growth of S. aureus and E. coli. The results also indicated that use of these NPs had synergistic effects in combination with the heating treatment. Electron microscopy scanning also revealed that treatment with MgO NPs could distort and impair the cell wall of the pathogenic bacteria, leading to the leakage of intracellular components and bacterial death. Conclusion: The results suggest that MgO, ZnO, and Fe2O3 NPs can be applied for industrial food processing as effective antimicrobial compounds to decrease the temperature required for pasteurizing milk.

Toxic Effects of Metal Oxide Nanoparticles Based on the Enzymatic Activity and Biosynthesis of β-Galactosidase Using a Mutant Strain of E. coli

2020 ◽  
Vol 20 (3) ◽  
pp. 1440-1446
Author(s):  
In Chul Kong ◽  
Xin Yang ◽  
Wonil Wi ◽  
Minji Kim ◽  
Kyung-Seok Ko
Keyword(s):  
Enzyme Activity ◽  
Metal Oxide ◽  
Mutant Strain ◽  
Molecular Mechanisms ◽  
Metal Oxide Nanoparticles ◽  
Metabolic Process ◽  
Toxic Effects ◽  
Systematic Research ◽  
Oxide Nanoparticles ◽  
E Coli

The effects of six metal oxide nanoparticles (MO-NPs) on the activity and biosynthesis of an enzyme (β-galactosidase) were examined using a mutant strain of E. coli. Different sensitivities were observed according to the type of NP and metabolic process. The toxic effects on enzyme activity were significantly greater than on biosynthesis (p < 0.011), except in the presence of NiO. In both cases, ZnO NP caused the greatest inhibition among the tested NPs, followed by CuO. The EC50s for ZnO were 0.19 and 3.68 mg/L for enzyme activity and biosynthesis, respectively. Similar orders of toxicity were observed as follows: ZnO > CuO > NiO > Co3O4 > TiO2, Al2O3 for enzyme activity; and ZnO > CuO > NiO ≫ Al2O3, TiO2, Co3O4 for the biosynthetic process. More systematic research, including in-depth studies like investigation of the molecular mechanisms, is necessary to elucidate the detailed mechanisms of inhibition involved in both metabolic processes.

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.

scholarly journals Positive and Negative Effects of Metal Oxide Nanoparticles on Antibiotic Resistance Genes Transfer

Antibiotics ◽  
2020 ◽  
Vol 9 (11) ◽  
pp. 742
Author(s):  
Georgy D. Otinov ◽  
Alina V. Lokteva ◽  
Anastasia D. Petrova ◽  
Irina V. Zinchenko ◽  
Maria V. Isaeva ◽  
...  
Keyword(s):  
Antibiotic Resistance ◽  
Gene Transfer ◽  
Metal Oxide ◽  
Resistance Genes ◽  
Rapid Development ◽  
Metal Oxide Nanoparticles ◽  
Antibiotic Resistance Genes ◽  
Biological Synthesis ◽  
Oxide Nanoparticles ◽  
E Coli

Rapid development of antibiotic resistance in bacteria is a critical public health problem in the world. One of the main routes of resistance development is the transfer of genes containing antibiotic resistance cassettes. Gene transfer can be done through horizontal transfer of genes: transduction, conjugation, and transformation. Many factors in the environment influence these processes, and one of them is the action of metal oxide nanoparticles (MONPs), which can appear in the milieu through both biological synthesis and the release of engineered nanomaterial. In this study, the effect of AlOOH, CuO, Fe3O4, TiO2, and ZnO MONPs on the transformation (heat shock transformation) of bacteria Escherichia coli K12, and the conjugation between E. coli cc118 and E. coli Nova Blue were studied. The MONPs were synthesized by one method and fully characterized. ZnO nanoparticles (NPs) have significantly increased the efficiency of transformation (more than 9-fold), while the other NPs have reduced it to 31 times (TiO2 NPs). AlOOH NPs increased the number of transconjugants more than 1.5-fold, while CuO and Fe3O4 NPs did not have a significant effect on transformation and conjugation. Thus, the data shows that different types of MONPs can enhance or inhibit different gene transfer mechanisms, affecting the spread of antibiotic resistance genes.

scholarly journals Structural, Morphological and Antimicrobial Study of ZnO/Ag Nanoparticles

2020 ◽  
Vol 13 (4) ◽  
pp. 1645-1652
Author(s):  
Richa Sharma ◽  
Suresh Kumar ◽  
Prem Singh ◽  
Shikha Kapila
Keyword(s):  
Metal Oxide ◽  
Ag Nanoparticles ◽  
Metal Oxide Nanoparticles ◽  
Antibacterial Properties ◽  
Chemical Properties ◽  
Single Step ◽  
Oxide Nanoparticles ◽  
Bacterial Strains ◽  
X Ray ◽  
E Coli

Metal oxide nanoparticles gain attention in the field of biomedical applications because of their unique physico-chemical properties and emerging out as an alternative to antibiotics. The major cause of most of the human diseases is the bacterial infection. However, antibiotics used in the cure show other complications to human health. Therefore, the purpose of the present work is to investigate the antibacterial properties of ZnO/Ag nanoparticles on the test bacterial strains, Escherichia coli (E. coli). ZnO/Ag nanoparticles are synthesized using surfactant mediated route in a single step and double step procedure. Here, CTAB and hydrazine hydrate used as a surfactant and reducing agents respectively. The synthesized nanoparticles are characterized by x-ray diffraction, scanning electron microscopy and energy dispersive x-ray spectroscopy for structure, morphology and compositional properties. The antibacterial activities of these nanoparticles are also studied using the agar-well diffusion technique. The result analysis shows that synthesized nanopaticles are spherical in shape, having particles of the size 6 nm and 13 nm in the desired elemental composition. ZnO/Ag nanoparticles possessed a strong antibacterial effect against E. coli. This study signifies that ZnO/Ag metal oxide nanoparticles exhibit stronger antimicrobial activity against pathogen bacteria E. coli which may works effectively on the antibacterial and antifungal infections.

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