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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F13%3A00066082%21RIV14-MSM-14310___
rdf:type
n10:Vysledek skos:Concept
dcterms: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.
dcterms:title
CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue
skos:prefLabel
CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue
skos:notation
RIV/00216224:14310/13:00066082!RIV14-MSM-14310___
n10:predkladatel
n19:orjk%3A14310
n3:aktivita
n11:P n11:Z
n3:aktivity
P(GD301/09/H004), P(LC06030), Z(MSM0021622413)
n3:dodaniDat
n13:2014
n3:domaciTvurceVysledku
n8:8988250 n8:4347374 n8:8499896
n3:druhVysledku
n4:O
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
65370
n3:idVysledku
RIV/00216224:14310/13:00066082
n3:jazykVysledku
n17:eng
n3:klicovaSlova
CH-pi interaction benzene electron density DFT calculations
n3:klicoveSlovo
n14:CH-pi%20interaction%20benzene%20electron%20density%20DFT%20calculations
n3:kontrolniKodProRIV
[DCB8359D1968]
n3:obor
n15:CE
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n9:LC06030 n9:GD301%2F09%2FH004
n3:rokUplatneniVysledku
n13:2013
n3:tvurceVysledku
Matuška, Radek Koča, Jaroslav Kozmon, Stanislav
n3:zamer
n7:MSM0021622413
n18:organizacniJednotka
14310