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Statistical mechanics of DNA-nanotube adsorption
Sh. A. Tonoyan, Davit Khechoyan, Yevgeni S. Mamasakhlisov, Artem Badasyan, 2019, other component parts

Abstract: Attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNT) and the aromatic nucleotides of deoxyribonucleic acid (DNA) leads to reversible adsorption (physisorption) between the two, a phenomenon related to hybridization. We propose a Hamiltonian formulation for the zipper model that accounts for the DNA-CNT interactions and allows for the processing of experimental data, which has awaited an available theory for a decade.
Found in: osebi
Keywords: DNA-CNT physisorption, zipper model
Published: 28.01.2020; Views: 1223; Downloads: 0
.pdf Fulltext (515,48 KB)

3.
Statistical mechanics of DNA adsorption on a carbon nanotube
Sh. A. Tonoyan, Davit Khechoyan, Yevgeni S. Mamasakhlisov, Artem Badasyan, 2020, published scientific conference contribution abstract

Abstract: The attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNT) and the aro- matic nucleotides of deoxyribonucleic acid (DNA) leads to reversible adsorption (physisorption) between them. With the goal to provide the theoretical support to numerous technologies on the basis of DNA-CNT hybrids, we propose a Hamiltonian formulation for the zipper model that accounts for relevant interactions and allows for the processing of experimental data, which has awaited an available theory for a decade.
Found in: osebi
Keywords: DNA, CNT
Published: 22.05.2020; Views: 973; Downloads: 51
.pdf Fulltext (2,96 MB)

4.
Statistical mechanics of DNA-nanotube adsorption
Artem Badasyan, Yevgeni S. Mamasakhlisov, Davit Khechoyan, Sh. A. Tonoyan, 2020, original scientific article

Abstract: Attraction between the polycyclic aromatic surface elements of carbon nanotubes (CNTs) and the aromaticnucleotides of deoxyribonucleic acid (DNA) leads to reversible adsorption (physisorption) between the two, aphenomenon related to hybridization. We propose a Hamiltonian formulation for the zipper model that accountsfor the DNA-CNT interactions and allows for the processing of experimental data, which has awaited an availabletheory for a decade.
Found in: osebi
Keywords: Carbon nanotubes, desoxyribonucleic acid, physisorption
Published: 30.06.2020; Views: 1053; Downloads: 0
.pdf Fulltext (1,21 MB)

5.
Implicit water model within the Zimm-Bragg approach to analyze experimental data for heat and cold denaturation of proteins
Jože Grdadolnik, Matjaž Valant, Sh. A. Tonoyan, Artem Badasyan, 2021, original scientific article

Abstract: Studies of biopolymer conformations essentially rely on theoretical models that are routinely used to process and analyze experimental data. While modern experiments allow study of single molecules in vivo, corresponding theories date back to the early 1950s and require an essential update to include the recent significant progress in the description of water. The Hamiltonian formulation of the Zimm-Bragg model we propose includes a simplified, yet explicit model of water-polypeptide interactions that transforms into the equivalent implicit description after performing the summation of solvent degrees of freedom in the partition function. Here we show that our model fits very well to the circular dichroism experimental data for both heat and cold denaturation and provides the energies of inter- and intra- molecular H-bonds, unavailable with other processing methods. The revealed delicate balance between these energies determines the conditions for the existence of cold dena- turation and thus clarifies its absence in some proteins.
Found in: osebi
Keywords: protein folding, cold denaturation, water, Zimm-Bragg model
Published: 06.05.2021; Views: 462; Downloads: 2
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