| dc.contributor.advisor |
Vícha, Robert
|
|
| dc.contributor.author |
Kašný, David
|
|
| dc.date.accessioned |
2013-10-07T17:49:24Z |
|
| dc.date.available |
2013-10-07T17:49:24Z |
|
| dc.date.issued |
2012-02-10 |
|
| dc.identifier |
Elektronický archiv Knihovny UTB |
cs |
| dc.identifier.uri |
http://hdl.handle.net/10563/21973
|
|
| dc.description.abstract |
Fenyl-, adamantyl-substituované chinoliny jsou látky, které pravděpodobně mají biologické účinky. V této práci byly studovány rotační bariéry adamantyl-substituovaných chinolinům, a tedy potenciální vznik atropisomerů. Cílem práce bylo zjistit, jak velký substituent ještě umožní rotaci 1-adamantylmethylu. Rotační bariéry byly počítány pomocí kvantově mechanických výpočtů metodou PM3. Výsledky výpočtů byly zpracovány do grafů a správnost metody byla ověřena nalezením shody s dostupnými experimentálními daty pro 4-(1-adamantylmethyl)-2-fenylchinolin a 9-(1-adamantylmethyl)-3,4-dihydroakridin-1(2H)-on. Dále bylo předpovězeno, že substituenty -F, -CH2CHO a C(=O)CH3 v poloze C3 4-(1-adamantylmethyl)-2-fenylchinolinu volnou rotaci 1-adamantylmethylu umožňují, zatímco -CH3 a -CHO v této poloze rotaci brání. |
cs |
| dc.format |
69 |
cs |
| dc.format.extent |
5453984 bytes |
cs |
| dc.format.mimetype |
application/pdf |
cs |
| dc.language.iso |
cs |
|
| dc.publisher |
Univerzita Tomáše Bati ve Zlíně |
|
| dc.rights |
Bez omezení |
|
| dc.subject |
Fenyl-
|
cs |
| dc.subject |
adamantyl-substituované chinoliny
|
cs |
| dc.subject |
rotační bariéry
|
cs |
| dc.subject |
atropisomery
|
cs |
| dc.subject |
kvantově mechanické výpočty
|
cs |
| dc.subject |
PM3
|
cs |
| dc.subject |
Phenyl-
|
en |
| dc.subject |
adamantyl substituted quinolines
|
en |
| dc.subject |
rotational barriers
|
en |
| dc.subject |
atropisomers
|
en |
| dc.subject |
quantum-mechanical calculations
|
en |
| dc.subject |
PM3
|
en |
| dc.title |
Studium rotačních bariér adamantyl-, fenyl-substituentů na chinolinovém skeletu |
cs |
| dc.title.alternative |
Study of Rotational Barriers of Adamantyl- and Phenyl Substituents on Quinoline Skeleton |
en |
| dc.type |
diplomová práce |
cs |
| dc.contributor.referee |
Rouchal, Michal |
|
| dc.date.accepted |
2012-06-12 |
|
| dc.description.abstract-translated |
Phenyl-, adamantyl-substituted quinolines are compounds with potential biological activity. In this work, the rotational barriers of adamantyl-substituted quinolines were studied, thus the potential formation of atropisomers. Main objective of this work was to identify critical size of bulky substituent that still allow rotation of 1-adamantylmethyl. Rotational barriers were calculated by quantum-mechanical calculations by the PM3 method. Results of calculations were visualised as graphs and the method was successfully tested by comparison with experimentally verified data available for 4-(1-admantylmethyl)-2-phenylquinoline and 9-(1-adamantylmethyl)-3,4-dihydroacridin-1(2H)-on. Moreover, it was predicted, that substituents -F, -CH2CHO a C(=O)CH3 at C3 position of 4-(1-admantylmethyl)-2-phenylquinoline allow free rotation of 1-admantylmethyl substituent, while -CH3 and -CHO at the same position do not allow the rotation of 1-adamantylmethyl. |
en |
| dc.description.department |
Ústav chemie |
cs |
| dc.description.result |
obhájeno |
cs |
| dc.parent.uri |
http://hdl.handle.net/10563/199
|
cs |
| dc.parent.uri |
http://hdl.handle.net/10563/220
|
cs |
| dc.thesis.degree-discipline |
Chemie potravin a bioaktivních látek |
cs |
| dc.thesis.degree-discipline |
Food Chemistry and Chemistry of Bioactive Substances |
en |
| dc.thesis.degree-grantor |
Univerzita Tomáše Bati ve Zlíně. Fakulta technologická |
cs |
| dc.thesis.degree-grantor |
Tomas Bata University in Zlín. Faculty of Technology |
en |
| dc.thesis.degree-name |
Ing. |
cs |
| dc.thesis.degree-program |
Chemie a technologie potravin |
cs |
| dc.thesis.degree-program |
Chemistry and Food Technologies |
en |
| dc.identifier.stag |
27642
|
|
| utb.result.grade |
C |
|
| dc.date.submitted |
2012-05-07 |
|
