About: CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Former studies of the CH-pi interactions between carbohydrates and aromatic moieties were focused on exploration of interaction energies in complexes of selected carbohydrates with benzene and naphthalene as simplest representatives of aromatic amino acids side chains. These studies provided complex insight into the nature and strength of carbohydrate-aromatic CH-pi interaction as well as its additivity with respect to total number of pi-electrons interacting it the aromatic system. The next logical step in complex study of CH-pi interaction is to study the influence of electron density in the aromatic system to the total interaction energy of the carbohydrate-aromatic complex. For this reason, we chose established set of selected carbohydrates mentioned above and constructed aromatic systems derivatives with expected increased and decreased electron density in the cycle – namely symmetrical difluoro-, trifluoro- and tetrafluoro-benzene and symmetrical diazine, triazine and tetrazine. Former studies of the CH-pi interactions between carbohydrates and aromatic moieties were focused on exploration of interaction energies in complexes of selected carbohydrates with benzene and naphthalene as simplest representatives of aromatic amino acids side chains. These studies provided complex insight into the nature and strength of carbohydrate-aromatic CH-pi interaction as well as its additivity with respect to total number of pi-electrons interacting it the aromatic system. The next logical step in complex study of CH-pi interaction is to study the influence of electron density in the aromatic system to the total interaction energy of the carbohydrate-aromatic complex. For this reason, we chose established set of selected carbohydrates mentioned above and constructed aromatic systems derivatives with expected increased and decreased electron density in the cycle – namely symmetrical difluoro-, trifluoro- and tetrafluoro-benzene and symmetrical diazine, triazine and tetrazine. (en)
Title	CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue (en)
skos:prefLabel	CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue (en)
skos:notation	RIV/00216224:14310/13:00066082!RIV14-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GD301/09/H004), P(LC06030), Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Matuška, Radek Kozmon, Stanislav Koča, Jaroslav
http://linked.open.../riv/druhVysledku	O - Ostatní výsledky nezařaditelné do žádného z výše uvedených druhů výsledku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	65370
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/13:00066082
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	CH-pi interaction benzene electron density DFT calculations (en)
http://linked.open.../riv/klicoveSlovo	CH-pi interaction benzene electron density DFT calculations
http://linked.open...ontrolniKodProRIV	[DCB8359D1968]
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular and structural biology of selected antitumor drugs. From mechanistic studies to chemotherapy of tumors Biomolecular centre
http://linked.open...UplatneniVysledku	2013
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Kozmon, Stanislav Matuška, Radek
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím
http://localhost/t...ganizacniJednotka	14310

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