Advances in Laser Additive Manufacturing of Ti-Nb Alloys: From Nanostructured Powders to Bulk Objects

Advances in Laser Additive Manufacturing of Ti-Nb Alloys: From Nanostructured Powders to Bulk Objects

מידע ביבליוגרפי
Parent link:Nanomaterials
Vol. 11, iss. 9.— 2021.— [2415, 12 p.}
מחבר תאגידי: Национальный исследовательский Томский политехнический университет Исследовательская школа химических и биомедицинских технологий
מחברים אחרים: Bystrov V. S. Vladimir, Sidorova A. Alla, Lutsenko A. Aleksey, Shpigun D. Denis, Malyshko E. Ekaterina, Nuraeva A. Alla, Zelenovskiy P. S. Pavel, Kopyl S.. Svitlana, Kholkin A. L. Andrei Leonidovich
סיכום:Title screen
The chirality quantification is of great importance in structural biology, where the differences in proteins twisting can provide essentially different physiological effects. However, this aspect of the chirality is still poorly studied for helix-like supramolecular structures. In this work, a method for chirality quantification based on the calculation of scalar triple products of dipole moments is suggested. As a model structure, self-assembled nanotubes of diphenylalanine (FF) made of L- and D-enantiomers were considered. The dipole moments of FF molecules were calculated using semi-empirical quantum-chemical method PM3 and the Amber force field method. The obtained results do not depend on the used simulation and calculation method, and show that the D-FF nanotubes are twisted tighter than L-FF. Moreover, the type of chirality of the helix-like nanotube is opposite to that of the initial individual molecule that is in line with the chirality alternation rule general for different levels of hierarchical organization of molecular systems. The proposed method can be applied to study other helix-like supramolecular structures.
שפה:אנגלית
יצא לאור: 2021
נושאים:
электронный ресурс
труды учёных ТПУ
dipeptides
diphenylalanine
helical structures
peptide nanotubes
self-assembly
molecular modeling
dipole moments
polarization
chirality
нанотрубки
молекулярное моделирование
дипольные моменты
поляризация
хиральность
גישה מקוונת:https://doi.org/10.3390/nano11092415
פורמט: אלקטרוני Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=667929

פריטים דומים

פריטים דומים