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Artificial intelligence and machine learning empower advanced biomedical material design to toxicity prediction
Materials at the nanoscale exhibit specific physicochemical interactions with their
environment. Therefore, evaluating their toxic potential is a primary requirement for …
environment. Therefore, evaluating their toxic potential is a primary requirement for …
Mechanism of ROS scavenging and antioxidant signalling by redox metallic and fullerene nanomaterials: Potential implications in ROS associated degenerative …
Background The balance between oxidation and anti-oxidation is believed to be critical in
maintaining healthy biological systems. However, our endogenous antioxidant defense …
maintaining healthy biological systems. However, our endogenous antioxidant defense …
C60 fullerene enhances cisplatin anticancer activity and overcomes tumor cell drug resistance
We formulated and analyzed a novel nanoformulation of the anticancer drug cisplatin (Cis)
with C 60 fullerene (C 60+ Cis complex) and showed its higher toxicity toward tumor cell …
with C 60 fullerene (C 60+ Cis complex) and showed its higher toxicity toward tumor cell …
Molecular dynamics simulations predict the pathways via which pristine fullerenes penetrate bacterial membranes
Carbon fullerenes are emerging as effective devices for different biomedical applications,
including the transportation of nanosized drugs and extraction of harmful oxidants and …
including the transportation of nanosized drugs and extraction of harmful oxidants and …
Biologically active water-soluble fullerene adducts: Das Glasperlenspiel (by H. Hesse)?
VV Sharoyko, SV Ageev, NE Podolsky… - Journal of Molecular …, 2021 - Elsevier
The review discusses prospects for the use of fullerenes and their various functionalised
adducts: polyhydroxylated fullerenes (fullerenols), carboxylated fullerenes, adducts with …
adducts: polyhydroxylated fullerenes (fullerenols), carboxylated fullerenes, adducts with …
Insight into the interactions of fullerenes with biological membranes through molecular dynamics simulations
This paper reviews our current understanding of how fullerene molecules interact with
biological membranes. First, we discuss how fullerenes permeate into biological …
biological membranes. First, we discuss how fullerenes permeate into biological …
Molecular mechanism of uptake of cationic photoantimicrobial phthalocyanine across bacterial membranes revealed by molecular dynamics simulations
PS Orekhov, EG Kholina… - The Journal of …, 2018 - ACS Publications
Phthalocyanines are aromatic macrocyclic compounds, which are structurally related to
porphyrins. In clinical practice, phthalocyanines are used in fluorescence imaging and …
porphyrins. In clinical practice, phthalocyanines are used in fluorescence imaging and …
State of aggregation and toxicity of aqueous fullerene solutions
OA Kyzyma, MV Avdeev, OI Bolshakova… - Applied Surface …, 2019 - Elsevier
An inevitable consequence of the growth of applications and corresponding production of
fullerenes is the accumulation of these molecules in natural aquatic environments and …
fullerenes is the accumulation of these molecules in natural aquatic environments and …
Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration
Fullerene C 60 sub-colloidal particle with diameter∼ 1 nm represents a boundary case
between small and large hydrophobic solutes on the length scale of hydrophobic hydration …
between small and large hydrophobic solutes on the length scale of hydrophobic hydration …
Blocking the Passage: C60 Geometrically Clogs K+ Channels
Classical molecular dynamics (MD) simulations combined with docking calculations,
potential of mean force estimates with the umbrella sampling method, and molecular …
potential of mean force estimates with the umbrella sampling method, and molecular …