Original title: Vibrační optická aktivita biomolekul
Translated title: Vibrational optical activity of biomolecules
Authors: Ješko, Eduard ; Baumruk, Vladimír (advisor) ; Kaminský, Jakub (referee)
Document type: Master’s theses
Year: 2016
Language: eng
Abstract: [eng] [cze]
The thesis aims at the study of conformation of a dimethyl tartrate molecule using the methods of vibrational optical activity (VOA), namely vibrational circular dichroism (VCD) and Raman optical activity (ROA). Based on the theoretical background of both VOA methods and current state of research of the studied molecule there was a sample of dimethyl tartrate dissolved in different solvents and its properties were measured using VCD and ROA spectrometers. In addition to the experiment, ab initio calculations were carried out in order to compare calculated and experimental spectra. Based on the comparison, the possible conformations present in water solution of the studied molecule are described in detail. Diplomová práca je zameraná na štúdium konformácie molekuly dimethyl tartrate použitím metód vibračnej optickej activity (VOA), a to konkrétne vibračného cirkulárneho dichroizmu (VCD) a Ramanovej optickej activity (ROA). Na základe teoretickej analýzy oboch VOA metód a súčasného stavu výskumu v oblasti študovanej molekuly bola vzorka molekuly dimethyl tartrate rozpustená v rozličných rozpúšťadlách a jej vlastnosti boli skúmané pomocou VCD a ROA spektrometrov. Experiment bol doplnený ab initio výpočtami a následne boli experimentálne spektrá porovnávané s vypočítanými spektrami. Na základe výsledkov porovnávania boli podrobne popísané možné konformácie študovanej molekuly vo vodnom prostredí.
Keywords: ab initio spectral simulations; dimethyl tartrate; Raman optical activity; vibrational circular dichroism; ab initio spektrálne simulácie; dimethyl tartrate; Ramanova optická aktivita; vibrační cirkulární dichroismus

Institution: Charles University Faculties (theses) (web)
Document availability information: Available in the Charles University Digital Repository.
Original record: http://hdl.handle.net/20.500.11956/82919

Permalink: http://www.nusl.cz/ntk/nusl-352566


The record appears in these collections:
Universities and colleges > Public universities > Charles University > Charles University Faculties (theses)
Academic theses (ETDs) > Master’s theses