| Tytuł projektu: Samoorganizacja oraz charakterystyka nanomechaniczna mikrowłókien celulozy |
Umowa:
UMO-2017/26/D/NZ1/00466
Czas realizacji:
2018-04-20 / 2022-04-19
Konsorcjum:
Jedyny wykonawca
Sponsor:
NCN
Typ:
SONATA
Konkurs:
13
Lista wykonawców:
| 1 | dr | Rodrigo Azevedo Moreira da Silva |
| 2 | dr | Adolfo Poma Bernaola♦ |
| ♦ kierownik |
Streszczenie:
We stated developing the model the self assembly of cellulose microfibrils in silicon considering both allomorphs I-alpha and I-beta. The modelling has been benefited by a crystallographic structure of CESA complex. In the experimental part we have extracted cellulose I microfibrils from plant source and obtained bacteria nanocelulose for comparison in AFM studies with an aspect ratio of d=5-10 nm. We have design a theoretical framework for the analysis of mechanical properties of biological systems (e.g. proteins, lipids and polysaccharides). The robustness of this protocol has been tested in several biological complex systems (Protein membranes). In addition, we develop a simplified model of proteins using coarse grained technique via the so called Elastic Network (EN) model. It has yield a model for the study of protein-cellulose system. Part of this work has been already published.
Obszar, dziedziny i dyscypliny naukowej:
| 3.2.2: | obszar nauk ścisłych, dziedzina nauk fizycznych, dyscyplina biofizyka |
| 3.2.3: | obszar nauk ścisłych, dziedzina nauk fizycznych, dyscyplina fizyka |
| 3.3.3: | obszar nauk ścisłych, dziedzina nauk chemicznych, dyscyplina chemia |
Lista publikacji:
| 1. | Moreira R., Vargas Guzman H., Boopathi S., Baker J.L., Poma Bernaola A., Characterization of structural and energetic differences between conformations of the SARS-CoV-2 spike protein, Materials, ISSN: 1996-1944, DOI: 10.3390/ma13235362, Vol.13, No.23, pp.5362-1-14, 2020 |  | 140p. | |
| 2. | Moreira R., Chwastyk M., Baker J.L., Vargas Guzman H.A., Poma A., Quantitative determination of mechanical stability in the novel coronavirus spike protein, NANOSCALE, ISSN: 2040-3364, DOI: 10.1039/D0NR03969A, Vol.12, No.31, pp.16409-16413, 2020 |  | 140p. | |
| 3. | Martinez M., Cooper C.D., Poma Bernaola A., Guzman H.V., Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach, Journal of Chemical Information and Modeling, ISSN: 1549-9596, DOI: 10.1021/acs.jcim.9b00883, Vol.60, No.2, pp.974-981, 2020 | | 100p. | |
| 4. | Boopathi S., Poma Bernaola A., Kolandaivel P., Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment, Journal of Biomolecular Structure and Dynamics, ISSN: 0739-1102, DOI: 10.1080/07391102.2020.1758788, pp.1-17, 2020 | | 70p. | |
| 5. | Senapati S., Poma Bernaola A., Cieplak M., Filipek S., Park P., Differentiating between inactive and active states of rhodopsin by atomic force microscopy in native membranes, Analytical Chemistry, ISSN: 0003-2700, DOI: 10.1021/acs.analchem.9b00546, Vol.91, No.11, pp.7226-7235, 2019 | | 140p. | |
| 6. | Poma Bernaola A., Guzman V.H., Li M.S., Theodorakis P.E., Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies, Beilstein Journal of Nanotechnology, ISSN: 2190-4286, DOI: 10.3762/bjnano.10.51, Vol.10, pp.500-513, 2019 | | 100p. | |
| 7. | Poma Bernaola A., Li M.S., Theodorakis P.E., Generalization of the elastic network model for the study of large conformational changes in biomolecules, Physical Chemistry Chemical Physics, ISSN: 1463-9076, DOI: 10.1039/C8CP03086C, Vol.20, pp.17020-17028, 2018 | | 40p. |