Abstract
Quasi-two-dimensional and hybrid nanomaterials based on layered double hydroxides (LDH), cationic clays, layered oxyhydroxides and hydroxides of metals possess large specific surface area and strong electrostatic properties with permanent or pH-dependent electric charge. Such nanomaterials may impact cellular electrostatics, changing the ion balance, pH and membrane potential. Selective ion adsorption/exchange may alter the transmembrane electrochemical gradient, disrupting potential-dependent cellular processes. Cellular proteins as a rule have charged residues which can be effectively adsorbed on the surface of layered hydroxide based nanomaterials. The aim of this study is to attempt to shed some light on the possibility and mechanisms of protein "adhesion" an LDH nanosheet and to propose a new direction in anticancer medicine, based on physical impact and strong electrostatics. An unbiased molecular dynamics simulation was performed and the combined process free energy estimation (COPFEE) approach was used.
| Original language | English |
|---|---|
| Title of host publication | Physics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016 |
| Publisher | American Institute of Physics Inc. |
| Volume | 1760 |
| ISBN (Electronic) | 9780735414181 |
| DOIs | |
| Publication status | Published - 2 Aug 2016 |
| Event | International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016 - Tomsk, Russian Federation Duration: 22 Mar 2016 → 25 Mar 2016 |
Conference
| Conference | International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016 |
|---|---|
| Country | Russian Federation |
| City | Tomsk |
| Period | 22.3.16 → 25.3.16 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Adsorption of charged protein residues on an inorganic nanosheet : Computer simulation of LDH interaction with ion channel. / Tsukanov, Alexey A.; Psakhie, Sergey G.
Physics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016. Vol. 1760 American Institute of Physics Inc., 2016. 020066.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
TY - GEN
T1 - Adsorption of charged protein residues on an inorganic nanosheet
T2 - Computer simulation of LDH interaction with ion channel
AU - Tsukanov, Alexey A.
AU - Psakhie, Sergey G.
PY - 2016/8/2
Y1 - 2016/8/2
N2 - Quasi-two-dimensional and hybrid nanomaterials based on layered double hydroxides (LDH), cationic clays, layered oxyhydroxides and hydroxides of metals possess large specific surface area and strong electrostatic properties with permanent or pH-dependent electric charge. Such nanomaterials may impact cellular electrostatics, changing the ion balance, pH and membrane potential. Selective ion adsorption/exchange may alter the transmembrane electrochemical gradient, disrupting potential-dependent cellular processes. Cellular proteins as a rule have charged residues which can be effectively adsorbed on the surface of layered hydroxide based nanomaterials. The aim of this study is to attempt to shed some light on the possibility and mechanisms of protein "adhesion" an LDH nanosheet and to propose a new direction in anticancer medicine, based on physical impact and strong electrostatics. An unbiased molecular dynamics simulation was performed and the combined process free energy estimation (COPFEE) approach was used.
AB - Quasi-two-dimensional and hybrid nanomaterials based on layered double hydroxides (LDH), cationic clays, layered oxyhydroxides and hydroxides of metals possess large specific surface area and strong electrostatic properties with permanent or pH-dependent electric charge. Such nanomaterials may impact cellular electrostatics, changing the ion balance, pH and membrane potential. Selective ion adsorption/exchange may alter the transmembrane electrochemical gradient, disrupting potential-dependent cellular processes. Cellular proteins as a rule have charged residues which can be effectively adsorbed on the surface of layered hydroxide based nanomaterials. The aim of this study is to attempt to shed some light on the possibility and mechanisms of protein "adhesion" an LDH nanosheet and to propose a new direction in anticancer medicine, based on physical impact and strong electrostatics. An unbiased molecular dynamics simulation was performed and the combined process free energy estimation (COPFEE) approach was used.
UR - http://www.scopus.com/inward/record.url?scp=84984585669&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84984585669&partnerID=8YFLogxK
U2 - 10.1063/1.4960285
DO - 10.1063/1.4960285
M3 - Conference contribution
AN - SCOPUS:84984585669
VL - 1760
BT - Physics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016
PB - American Institute of Physics Inc.
ER -