About: Formation and stability of calcium complexes of dimethyl sulfoxide in water

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1016/j.ijms.2014.01.001
Description	Dimethyl sulfoxide (DMSO) is widely utilized compound in biomedical and technological applications. Predominantly, it is used for biomembranes opening during a drug delivery procedure. The mechanism of DMSO membrane treatment is influenced by DMSO interactions with Ca2+ as well as with water presence. In this study we investigate Ca2+ interactions with DMSO in an aqueous environment using electrospray ionization mass spectrometry supported by density functional calculations. The number of DMSO ligands in [Ca(DMSO)(x)](2+) depends on the conditions during the electrospray and ion-transfer process. At capillary temperatures lower than 120 degrees C the complexes with a high number of DMSO are preferentially transferred to the gas phase (e.g. [Ca(DMSO)(6)](2+)). With increasing temperature the number of DMSO ligands decreases while they are replaced with water molecules. Both the experiment and the calculations show that the bonding energy of DMSO to Ca2+ is strongly influenced by the presence of water. The calculations also demonstrate that the bonding of DMSO to Ca2+ is rather strong; the Ca2+-DMSO bonding energy was calculated to be two times higher than the Ca-H2O bonding energy. Dimethyl sulfoxide (DMSO) is widely utilized compound in biomedical and technological applications. Predominantly, it is used for biomembranes opening during a drug delivery procedure. The mechanism of DMSO membrane treatment is influenced by DMSO interactions with Ca2+ as well as with water presence. In this study we investigate Ca2+ interactions with DMSO in an aqueous environment using electrospray ionization mass spectrometry supported by density functional calculations. The number of DMSO ligands in [Ca(DMSO)(x)](2+) depends on the conditions during the electrospray and ion-transfer process. At capillary temperatures lower than 120 degrees C the complexes with a high number of DMSO are preferentially transferred to the gas phase (e.g. [Ca(DMSO)(6)](2+)). With increasing temperature the number of DMSO ligands decreases while they are replaced with water molecules. Both the experiment and the calculations show that the bonding energy of DMSO to Ca2+ is strongly influenced by the presence of water. The calculations also demonstrate that the bonding of DMSO to Ca2+ is rather strong; the Ca2+-DMSO bonding energy was calculated to be two times higher than the Ca-H2O bonding energy. (en)
Title	Formation and stability of calcium complexes of dimethyl sulfoxide in water Formation and stability of calcium complexes of dimethyl sulfoxide in water (en)
skos:prefLabel	Formation and stability of calcium complexes of dimethyl sulfoxide in water Formation and stability of calcium complexes of dimethyl sulfoxide in water (en)
skos:notation	RIV/00216208:11310/14:10271747!RIV15-MSM-11310___
http://linked.open...avai/riv/aktivita	I P S
http://linked.open...avai/riv/aktivity	I, P(GP13-21409P), S
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Roithová, Jana
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	Univerzita Karlova v Praze / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	17260
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/14:10271747
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	speciation; complexation; ESI-MS; DFT; bonding energies (en)
http://linked.open.../riv/klicoveSlovo	bonding energies DFT complexation ESI-MS speciation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[5C15A41C98A4]
http://linked.open...i/riv/nazevZdroje	International Journal of Mass Spectrometry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Interactions of metal and nutrient ions with high priority pesticides in soil and on biomembranes
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	360
http://linked.open...iv/tvurceVysledku	Jaklová Dytrtová, Jana Straka, Michal Jakl, Michal Roithová, Jana
http://linked.open...ain/vavai/riv/wos	000332440800002
issn	1387-3806
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.ijms.2014.01.001
http://localhost/t...ganizacniJednotka	11310

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