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Pregled bibliografske jedinice broj: 738909

Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches


Pižeta, Ivanka; Sander, Sylvia G.
Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches // 17th Ocean Sciences Meeting / Itsweire, Eric (ur.).
Honolulul, Hawaii, USA: American Geophysical Union, 2014. str. 158-158 (poster, međunarodna recenzija, sažetak, znanstveni)


CROSBI ID: 738909 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches

Autori
Pižeta, Ivanka ; Sander, Sylvia G.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
17th Ocean Sciences Meeting / Itsweire, Eric - Honolulul, Hawaii, USA : American Geophysical Union, 2014, 158-158

Skup
17th Ocean Science Meeting

Mjesto i datum
Honolulu, Hawaii, USA, 23-28.02.2014

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
metal-ligand binding parameters

Sažetak
Simulated titration data with predetermined ligand concentrations (Lx) and metal-ligand stability constants (logKx) were used to evaluate the procedures regularly applied by the participants working in the field of metal-ligand binding characterization in aquatic environments. Data sets comprised noised and unnoised simulated titration curves for one to three ligands, different metal addition distributions, and emulate anodic stripping voltammetric or competing ligand exchange – adsorptive cathodic stripping voltammetric titrations. The later also included three multiple analytical window datasets. 23 distinct responses were received. Evaluation of results consisted of calculating the goodness-of-fit for each dataset, a relative error of parameters (Lx, logKx)rep compared to predetermined values. and relative error of the calculated free copper concentration for two presumed ambient total Cu levels in the presence of fitted ligand parameters. As a result of this intercomparison exercise we summarize general recommendations for a best practice to evaluate metal-ligand titrations. We further suggest that anybody working in this field of research should first verify their entire evaluation method using simulated data before applying it to data from real samples. The dataset used in this study is provided through the SCOR WG 139 webpage (http://neon.otago.ac.nz/research/scor/index.html).

Izvorni jezik
Engleski

Znanstvena područja
Geologija

Napomena
EPoster: http://neon.otago.ac.nz/research/scor/index.html



POVEZANOST RADA


Projekti:
098-0982934-2720 - Međudjelovanja oblika tragova metala u vodenom okolišu (Pižeta, Ivanka, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Ivanka Pižeta (autor)

Citiraj ovu publikaciju:

Pižeta, Ivanka; Sander, Sylvia G.
Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches // 17th Ocean Sciences Meeting / Itsweire, Eric (ur.).
Honolulul, Hawaii, USA: American Geophysical Union, 2014. str. 158-158 (poster, međunarodna recenzija, sažetak, znanstveni)
Pižeta, I. & Sander, S. (2014) Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches. U: Itsweire, E. (ur.)17th Ocean Sciences Meeting.
@article{article, author = {Pi\v{z}eta, Ivanka and Sander, Sylvia G.}, editor = {Itsweire, E.}, year = {2014}, pages = {158-158}, keywords = {metal-ligand binding parameters}, title = {Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches}, keyword = {metal-ligand binding parameters}, publisher = {American Geophysical Union}, publisherplace = {Honolulu, Hawaii, USA} }
@article{article, author = {Pi\v{z}eta, Ivanka and Sander, Sylvia G.}, editor = {Itsweire, E.}, year = {2014}, pages = {158-158}, keywords = {metal-ligand binding parameters}, title = {Intercomparison of estimating metal binding ligand parameters from simulated titration data using different fitting approaches}, keyword = {metal-ligand binding parameters}, publisher = {American Geophysical Union}, publisherplace = {Honolulu, Hawaii, USA} }




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