Synthesis, biological evaluation, molecular docking, molecular dynamics simulation, and ADME studies of novel carbazole-aniline hybrids as cytotoxic agents.
Research
RF Safe Research Library
Jan 1, 2026
This study reports the design and synthesis of seven carbazole-aniline hybrids and evaluates their cytotoxicity in breast (MCF-7) and colon (SW480) cancer cell lines. Compound 5e was identified as the most potent in vitro candidate and was supported by docking and molecular dynamics results suggesting binding to…
Impact of a Terahertz electromagnetic field on the ion permeation of potassium and sodium channels
Research
RF Safe Research Library
Jan 1, 2025
This biophysics study used molecular dynamics simulations to examine how terahertz electromagnetic fields affect ion permeation in voltage-gated potassium (Kv1.2) and sodium (Nav1.5) channels. The simulations report increased ion permeability at several specific terahertz frequencies, with effects depending on field…
Translocation of silica nanospheres through giant unilamellar vesicles (GUVs) induced by a high frequency electromagnetic field.
Research
RF Safe Research Library
Jan 1, 2021
This in vitro study used giant unilamellar vesicles (GUVs) to examine effects of an 18 GHz electromagnetic field on membrane behavior. The authors report increased membrane permeability after exposure, inferred from internalisation of 23.5 nm hydrophilic silica nanospheres. Complementary molecular dynamics…
Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field.
Research
RF Safe Research Library
Jan 1, 2014
This molecular dynamics simulation study examined liquid N,N-dimethylformamide exposed to uniform external electric fields from 0.001 to 1 V/nm using an extended AMOEBA polarizable force field. The authors report that fields above 0.01 V/nm significantly altered the liquid’s structure and a range of molecular and…
Effects of chain stiffness and salt concentration on responses of polyelectrolyte brushes under external electric field.
Research
RF Safe Research Library
Jan 1, 2011
This paper reports molecular dynamics simulations of polyelectrolyte brushes subjected to external electric fields, focusing on how chain stiffness and salt concentration affect responses. The simulations suggest higher salt concentrations strengthen an induced opposing field from ion redistribution, which resists…