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Decrypting strong and weak single-walled carbon nanotubes interactions with mitochondrial voltage-dependent anion channels using molecular docking and perturbation theory
(Nature, 2017-10-16)
[Abstract] The current molecular docking study provided the Free Energy of Binding (FEB) for the interaction (nanotoxicity) between VDAC mitochondrial channels of three species (VDAC1-Mus musculus, VDAC1-Homo sapiens, ...
Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: polarography experimental study and machine learning models using star graph trace invariants of Raman spectra
(MDPI, 2017-11-11)
[Abstract] This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first ...
Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new Raman spectra transform with Markov–Shannon entropy invariants
(ACS Publications, 2017-04-17)
[Abstract] The study of selective toxicity of carbon nanotubes (CNTs) on mitochondria (CNT-mitotoxicity) is of major interest for future biomedical applications. In the current work, the mitochondrial oxygen consumption ...