About: Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Pomocí molekulově dynamických simulací byl studován vývoj organizace vody na plochém povrchu ideálních samouspořádaných monovrstev (SAM) tvořených osmiuhlíkatými řetězci alkanthiolátů vázaných ke zlatému substrátu, jejichž povrchový character byl postupně měněn z kompletně hydrofóbního na kompletně hydrofilní. Hydratace těchto povrchů byla zkoumána v rozmezí od neúplné monovrstvy vody až po ekvivalent zhruba dvou monovrstev vody. Analýza se zaměřila na vývoj struktury povrchu, jak suchého, tak i smáčeného, a dale na vývoj organizace vody a míru smáčení povrchů v závislosti na podílu hydrofilní složky. (cs) Molecular dynamics simulations are used to study the evolution of the organization of water molecules on the flat surface of well-ordered self-assembled monolayers (SAMs) of eight-carbon alkanethiolate chains bound to a gold substrate, as the character of the surface is finely tuned from completely hydrophobic to completely hydrophilic, and as the level of hydration is increased from submonolayer to the equivalent of about two monolayers of water. We report on the evolution of the structure of the surfaces of the SAMs, both in the absence and presence of water, and the organization of water molecules and the extent of wetting of the surfaces, as the fraction of hydrophilic groups is increased. Molecular dynamics simulations are used to study the evolution of the organization of water molecules on the flat surface of well-ordered self-assembled monolayers (SAMs) of eight-carbon alkanethiolate chains bound to a gold substrate, as the character of the surface is finely tuned from completely hydrophobic to completely hydrophilic, and as the level of hydration is increased from submonolayer to the equivalent of about two monolayers of water. We report on the evolution of the structure of the surfaces of the SAMs, both in the absence and presence of water, and the organization of water molecules and the extent of wetting of the surfaces, as the fraction of hydrophilic groups is increased. (en)
Title	Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study (en) Mikroskopické smáčení smíšených samouspořádaných monovrstev: Studium pomocí molekulové dynamiky (cs)
skos:prefLabel	Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study (en) Mikroskopické smáčení smíšených samouspořádaných monovrstev: Studium pomocí molekulové dynamiky (cs)
skos:notation	RIV/61388963:_____/09:00324676!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/06/1488), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	13
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Roeselová, Martina Szöri, Milan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	326222
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/09:00324676
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	model organic aerosol surfaces; hydrophobic; hydrophilic (en)
http://linked.open.../riv/klicoveSlovo	hydrophilic model organic aerosol surfaces hydrophobic
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[D7D3779E5B9C]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Inorganics in thin water films on mixed hydrophobic/hydrophilic self-assembled monolayers
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	113
http://linked.open...iv/tvurceVysledku	Roeselová, Martina Szöri, Milan Tobias, D. J.
http://linked.open...ain/vavai/riv/wos	000264591800021
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1520-6106
number of pages	9 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study Microscopic wetting of mixed self-assembled monolayers: A molecular dynamics study

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