About: The thermodynamic dissociation constants of methotrexate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The mixed dissociation constants of methotrexate - chemically (2S)-2-[(4-{[(2,4-diamino-7,8-dihydropteridin-6-yl) methyl] (methyl) amino} phenyl) formamido] pentanedioic acid (the cas number 59-05-2) at various ionic strengths I of range 0.01 - 0.4, and at temperatures of 25 degrees C and 37 degrees C, were determined with the use of two different multiwavelength and multivariate treatments of spectral data, SPECFIT32 and SQUAD(84) nonlinear regression analyses and INDICES factor analysis. Three thermodynamic dissociation constants were estimated by nonlinear regression of {pK(a), I} data: for methotrexate pK(a1)(T) = 2.895(13), pK(a2)(T) = 4.410(14), pK(a3)(T) = 5.726(15) at 25 degrees C and pK(a1)(T) = 3.089(15), pK(a2)(T) = 4.392(12), pK(a3)(T) = 5.585(11) at 37 degrees C. The mixed dissociation constants of methotrexate - chemically (2S)-2-[(4-{[(2,4-diamino-7,8-dihydropteridin-6-yl) methyl] (methyl) amino} phenyl) formamido] pentanedioic acid (the cas number 59-05-2) at various ionic strengths I of range 0.01 - 0.4, and at temperatures of 25 degrees C and 37 degrees C, were determined with the use of two different multiwavelength and multivariate treatments of spectral data, SPECFIT32 and SQUAD(84) nonlinear regression analyses and INDICES factor analysis. Three thermodynamic dissociation constants were estimated by nonlinear regression of {pK(a), I} data: for methotrexate pK(a1)(T) = 2.895(13), pK(a2)(T) = 4.410(14), pK(a3)(T) = 5.726(15) at 25 degrees C and pK(a1)(T) = 3.089(15), pK(a2)(T) = 4.392(12), pK(a3)(T) = 5.585(11) at 37 degrees C. (en)
Title	The thermodynamic dissociation constants of methotrexate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data The thermodynamic dissociation constants of methotrexate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data (en)
skos:prefLabel	The thermodynamic dissociation constants of methotrexate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data The thermodynamic dissociation constants of methotrexate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data (en)
skos:notation	RIV/00216275:25310/10:39881670!RIV11-MZ0-25310___
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(NR9055), P(NS9831), S, Z(MSM0021627502)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Meloun, 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	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	292757
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/10:39881670
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	INDICES; Squad; Specfit; Methotrexate; Dissociation constant; Spectrophotometric titration (en)
http://linked.open.../riv/klicoveSlovo	INDICES Specfit Squad Dissociation constant Spectrophotometric titration Methotrexate
http://linked.open...odStatuVydavatele	PL - Polská republika
http://linked.open...ontrolniKodProRIV	[19949AD26899]
http://linked.open...i/riv/nazevZdroje	Central European Journal of Chemistry
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Optimization of laboratory examinations in endocrinology using multivariate statistics Influence of smoking and its cessation on endocrine system
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	8
http://linked.open...iv/tvurceVysledku	Ferenčíková, Zuzana Meloun, Milan Vrána, Aleš
http://linked.open...ain/vavai/riv/wos	000277021300003
http://linked.open...n/vavai/riv/zamer	Pokročilé analytické a separační metody a jejich aplikace v diagnostice a technologii živých a neživých materiálů
issn	1895-1066
number of pages	14 (xsd:int)
http://localhost/t...ganizacniJednotka	25310

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