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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F14%3A10271747%21RIV15-MSM-11310___
rdf:type
n3:Vysledek skos:Concept
rdfs:seeAlso
http://dx.doi.org/10.1016/j.ijms.2014.01.001
dcterms: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.
dcterms:title
Formation and stability of calcium complexes of dimethyl sulfoxide in water Formation and stability of calcium complexes of dimethyl sulfoxide in water
skos:prefLabel
Formation and stability of calcium complexes of dimethyl sulfoxide in water Formation and stability of calcium complexes of dimethyl sulfoxide in water
skos:notation
RIV/00216208:11310/14:10271747!RIV15-MSM-11310___
n4:aktivita
n19:I n19:S n19:P
n4:aktivity
I, P(GP13-21409P), S
n4:cisloPeriodika
1
n4:dodaniDat
n9:2015
n4:domaciTvurceVysledku
n12:2213117
n4:druhVysledku
n18:J
n4:duvernostUdaju
n10:S
n4:entitaPredkladatele
n14:predkladatel
n4:idSjednocenehoVysledku
17260
n4:idVysledku
RIV/00216208:11310/14:10271747
n4:jazykVysledku
n15:eng
n4:klicovaSlova
speciation; complexation; ESI-MS; DFT; bonding energies
n4:klicoveSlovo
n6:bonding%20energies n6:speciation n6:ESI-MS n6:complexation n6:DFT
n4:kodStatuVydavatele
NL - Nizozemsko
n4:kontrolniKodProRIV
[5C15A41C98A4]
n4:nazevZdroje
International Journal of Mass Spectrometry
n4:obor
n8:CF
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
4
n4:projekt
n20:GP13-21409P
n4:rokUplatneniVysledku
n9:2014
n4:svazekPeriodika
360
n4:tvurceVysledku
Roithová, Jana Jakl, Michal Jaklová Dytrtová, Jana Straka, Michal
n4:wos
000332440800002
s:issn
1387-3806
s:numberOfPages
7
n17:doi
10.1016/j.ijms.2014.01.001
n16:organizacniJednotka
11310