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TítuloExperimental–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

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Academic year: 2020

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Figure  1.  Methodology  flowchart  for  nano-PT-QSPR  models  for  mitochondrial  oxygen  consumption  in  the  presence  of  CNTs
Figure  2.  Raman  spectra  of  carbon  nanotubes  used  in  this  study.  (A)  Pristine  MWCMT  (CNT1),  (B)  SW/DWCNT–OH  (CNT2),  (C)  MWCNT–OH  (CNT3),  (D)  MWCNT–OH  (CNT4),  (E)  MWCNT–OH  (CNT5),  (F)  MWCNT–COOH  (CNT6),  (G)  MWCNT–COOH  (CNT7),
Table 1. Physical–Chemical Parameters of the CNT Family
Figure 3. Transformation of the Raman spectra for Pristine MWCMT (CNT1) into SG Shannon entropies invariants using  the S2SNet tool
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