Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel; AIP Conference Proceedings; Vol. 1760 : Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016
| Parent link: | AIP Conference Proceedings Vol. 1760 : Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016.— 2016.— [020066, 6 p.] |
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| Співавтори: | , |
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| Резюме: | Title screen 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. Режим доступа: по договору с организацией-держателем ресурса |
| Мова: | Англійська |
| Опубліковано: |
2016
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| Предмети: | |
| Онлайн доступ: | http://dx.doi.org/10.1063/1.4960285 http://earchive.tpu.ru/handle/11683/35794 |
| Формат: | Електронний ресурс Частина з книги |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=652056 |
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| 200 | 1 | |a Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel |f A. A. Tsukanov, S. G. Psakhie | |
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| 300 | |a Title screen | ||
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| 330 | |a 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. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
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| 463 | 0 | |0 (RuTPU)RU\TPU\network\17033 |t Vol. 1760 : Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016 |o Proceedings of the International conference, 22-25 March 2016, Tomsk, Russia |f National Research Tomsk Polytechnic University (TPU) ; eds. E. Y. Gutmanas ; O. B. Naimark ; Yu. P. Sharkeev |v [020066, 6 p.] |d 2016 | |
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| 610 | 1 | |a клеточные процессы | |
| 610 | 1 | |a молекулярная динамика | |
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| 610 | 1 | |a глинистые материалы | |
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| 610 | 1 | |a свободная энергия | |
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| 700 | 1 | |a Tsukanov |b A. A. |c physicist |c researcher of Tomsk Polytechnic University, candidate of physical and mathematical sciences |f 1984- |g Aleksey Alekseevich |2 stltpush |3 (RuTPU)RU\TPU\pers\35787 | |
| 701 | 1 | |a Psakhie |b S. G. |c physicist |c head of laboratory, Advisor to the rector, head of Department, Tomsk Polytechnic University, doctor of physico-mathematical Sciences |f 1952- |g Sergey Grigorievich |2 stltpush |3 (RuTPU)RU\TPU\pers\33038 | |
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