About: THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell, cell-cell adhesion and so forth. Recent studies show that key role in protein - saccharide recognition may play dispersive interactions, such as CH/pi interactions of aromatic amino acids with non polar faces of carbohydrates. In this study we present computational study on the additive properties of the carbohydrate CH/pi dispersion interactions with condensed aromatic moieties. The naphthalene molecule was used as a model for the condensed aromatic system. The carbohydrates b-D-glucopyranose, b-D-mannopyranose and a-L-fucopyranose in complex with naphthalene were prepared. Two types of complexes were prepared. In first group of complexes the carbohydrate is interacting via only the one CH group hydrogen with naphthalene and in the second group via two hydrogen atoms. All possible combinations of the complexes were prepared. Molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell, cell-cell adhesion and so forth. Recent studies show that key role in protein - saccharide recognition may play dispersive interactions, such as CH/pi interactions of aromatic amino acids with non polar faces of carbohydrates. In this study we present computational study on the additive properties of the carbohydrate CH/pi dispersion interactions with condensed aromatic moieties. The naphthalene molecule was used as a model for the condensed aromatic system. The carbohydrates b-D-glucopyranose, b-D-mannopyranose and a-L-fucopyranose in complex with naphthalene were prepared. Two types of complexes were prepared. In first group of complexes the carbohydrate is interacting via only the one CH group hydrogen with naphthalene and in the second group via two hydrogen atoms. All possible combinations of the complexes were prepared. (en)
Title	THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES (en)
skos:prefLabel	THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES (en)
skos:notation	RIV/00216224:14740/11:00053084!RIV12-MSM-14740___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat	2012
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 / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	235111
http://linked.open...ai/riv/idVysledku	RIV/00216224:14740/11:00053084
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	carbohydrates; CH/pi interactions; DFT-D (en)
http://linked.open.../riv/klicoveSlovo	carbohydrates CH/pi interactions DFT-D
http://linked.open...ontrolniKodProRIV	[E5A6B08A67F5]
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2011
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Kozmon, Stanislav Matuška, Radek Spiwok, Vojtěch
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím
http://localhost/t...ganizacniJednotka	14740

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