TY  - JOUR
AU  - Pešić, Miloš P.
AU  - Todorov, Miljana D.
AU  - Becskereki, Gergely
AU  - Horvai, George
AU  - Verbić, Tatjana
AU  - Tóth, Blanka
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3951
AB  - A novel method is successfully tested for non-covalent imprinting. Conditions are used which practically exclude the formation of prepolymerization complexes. The template is cholesterol, and no so-called functional monomer is used. The polymers contain only an acrylic diester crosslinker. The porogen isopropanol prevents even hydrogen bonding between the template and the monomer in the prepolymerization solution. Despite of these apparently very disadvantageous conditions, appreciable imprinting factors for cholesterol and imprinted selectivity against some other steroids are observed, similar to other cholesterol MIPs with proven analytical usefulness.
PB  - Elsevier
T2  - Talanta
T1  - A novel method of molecular imprinting applied to the template cholesterol
VL  - 217
SP  - 121075
DO  - 10.1016/j.talanta.2020.121075
ER  - 

@article{
author = "Pešić, Miloš P. and Todorov, Miljana D. and Becskereki, Gergely and Horvai, George and Verbić, Tatjana and Tóth, Blanka",
year = "2020",
abstract = "A novel method is successfully tested for non-covalent imprinting. Conditions are used which practically exclude the formation of prepolymerization complexes. The template is cholesterol, and no so-called functional monomer is used. The polymers contain only an acrylic diester crosslinker. The porogen isopropanol prevents even hydrogen bonding between the template and the monomer in the prepolymerization solution. Despite of these apparently very disadvantageous conditions, appreciable imprinting factors for cholesterol and imprinted selectivity against some other steroids are observed, similar to other cholesterol MIPs with proven analytical usefulness.",
publisher = "Elsevier",
journal = "Talanta",
title = "A novel method of molecular imprinting applied to the template cholesterol",
volume = "217",
pages = "121075",
doi = "10.1016/j.talanta.2020.121075"
}

Pešić, M. P., Todorov, M. D., Becskereki, G., Horvai, G., Verbić, T.,& Tóth, B.. (2020). A novel method of molecular imprinting applied to the template cholesterol. in Talanta
Elsevier., 217, 121075.
https://doi.org/10.1016/j.talanta.2020.121075

Pešić MP, Todorov MD, Becskereki G, Horvai G, Verbić T, Tóth B. A novel method of molecular imprinting applied to the template cholesterol. in Talanta. 2020;217:121075.
doi:10.1016/j.talanta.2020.121075 .

Pešić, Miloš P., Todorov, Miljana D., Becskereki, Gergely, Horvai, George, Verbić, Tatjana, Tóth, Blanka, "A novel method of molecular imprinting applied to the template cholesterol" in Talanta, 217 (2020):121075,
https://doi.org/10.1016/j.talanta.2020.121075 . .

TY  - JOUR
AU  - Fabian, Balazs
AU  - Senćanski, Milan
AU  - Cvijetić, Ilija
AU  - Jedlovszky, Pal
AU  - Horvai, George
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3450
AB  - Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. C
T1  - Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis
VL  - 120
IS  - 16
SP  - 8578
EP  - 8588
DO  - 10.1021/acs.jpcc.5b10370
ER  - 

@article{
author = "Fabian, Balazs and Senćanski, Milan and Cvijetić, Ilija and Jedlovszky, Pal and Horvai, George",
year = "2016",
abstract = "Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. C",
title = "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis",
volume = "120",
number = "16",
pages = "8578-8588",
doi = "10.1021/acs.jpcc.5b10370"
}

Fabian, B., Senćanski, M., Cvijetić, I., Jedlovszky, P.,& Horvai, G.. (2016). Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C
Amer Chemical Soc, Washington., 120(16), 8578-8588.
https://doi.org/10.1021/acs.jpcc.5b10370

Fabian B, Senćanski M, Cvijetić I, Jedlovszky P, Horvai G. Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C. 2016;120(16):8578-8588.
doi:10.1021/acs.jpcc.5b10370 .

Fabian, Balazs, Senćanski, Milan, Cvijetić, Ilija, Jedlovszky, Pal, Horvai, George, "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis" in Journal of Physical Chemistry. C, 120, no. 16 (2016):8578-8588,
https://doi.org/10.1021/acs.jpcc.5b10370 . .

TY  - JOUR
AU  - Fabian, Balazs
AU  - Senćanski, Milan
AU  - Cvijetić, Ilija
AU  - Jedlovszky, Pal
AU  - Horvai, George
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1933
AB  - Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. C
T1  - Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis
VL  - 120
IS  - 16
SP  - 8578
EP  - 8588
DO  - 10.1021/acs.jpcc.5b10370
ER  - 

@article{
author = "Fabian, Balazs and Senćanski, Milan and Cvijetić, Ilija and Jedlovszky, Pal and Horvai, George",
year = "2016",
abstract = "Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. C",
title = "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis",
volume = "120",
number = "16",
pages = "8578-8588",
doi = "10.1021/acs.jpcc.5b10370"
}

Fabian, B., Senćanski, M., Cvijetić, I., Jedlovszky, P.,& Horvai, G.. (2016). Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C
Amer Chemical Soc, Washington., 120(16), 8578-8588.
https://doi.org/10.1021/acs.jpcc.5b10370

Fabian B, Senćanski M, Cvijetić I, Jedlovszky P, Horvai G. Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C. 2016;120(16):8578-8588.
doi:10.1021/acs.jpcc.5b10370 .

Fabian, Balazs, Senćanski, Milan, Cvijetić, Ilija, Jedlovszky, Pal, Horvai, George, "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis" in Journal of Physical Chemistry. C, 120, no. 16 (2016):8578-8588,
https://doi.org/10.1021/acs.jpcc.5b10370 . .

TY  - DATA
AU  - Dorko, Zsanett
AU  - Szakolczai, Anett
AU  - Verbić, Tatjana
AU  - Horvai, George
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3342
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Journal of Separation Science
T1  - Supplementary data for article: Dorkó, Z.; Szakolczai, A.; Verbic, T.; Horvai, G. Binding Capacity of Molecularly Imprinted Polymers and Their Nonimprinted Analogs. Journal of Separation Science 2015, 38 (24), 4240–4247. https://doi.org/10.1002/jssc.201500874
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3342
ER  - 

@misc{
author = "Dorko, Zsanett and Szakolczai, Anett and Verbić, Tatjana and Horvai, George",
year = "2015",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Journal of Separation Science",
title = "Supplementary data for article: Dorkó, Z.; Szakolczai, A.; Verbic, T.; Horvai, G. Binding Capacity of Molecularly Imprinted Polymers and Their Nonimprinted Analogs. Journal of Separation Science 2015, 38 (24), 4240–4247. https://doi.org/10.1002/jssc.201500874",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3342"
}

Dorko, Z., Szakolczai, A., Verbić, T.,& Horvai, G.. (2015). Supplementary data for article: Dorkó, Z.; Szakolczai, A.; Verbic, T.; Horvai, G. Binding Capacity of Molecularly Imprinted Polymers and Their Nonimprinted Analogs. Journal of Separation Science 2015, 38 (24), 4240–4247. https://doi.org/10.1002/jssc.201500874. in Journal of Separation Science
Wiley-V C H Verlag Gmbh, Weinheim..
https://hdl.handle.net/21.15107/rcub_cherry_3342

Dorko Z, Szakolczai A, Verbić T, Horvai G. Supplementary data for article: Dorkó, Z.; Szakolczai, A.; Verbic, T.; Horvai, G. Binding Capacity of Molecularly Imprinted Polymers and Their Nonimprinted Analogs. Journal of Separation Science 2015, 38 (24), 4240–4247. https://doi.org/10.1002/jssc.201500874. in Journal of Separation Science. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3342 .

Dorko, Zsanett, Szakolczai, Anett, Verbić, Tatjana, Horvai, George, "Supplementary data for article: Dorkó, Z.; Szakolczai, A.; Verbic, T.; Horvai, G. Binding Capacity of Molecularly Imprinted Polymers and Their Nonimprinted Analogs. Journal of Separation Science 2015, 38 (24), 4240–4247. https://doi.org/10.1002/jssc.201500874" in Journal of Separation Science (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3342 .

TY  - JOUR
AU  - Dorko, Zsanett
AU  - Verbić, Tatjana
AU  - Horvai, George
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3416
AB  - Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.
PB  - Elsevier Science Bv, Amsterdam
T2  - Talanta
T1  - Selectivity in analytical chemistry: Two interpretations for univariate methods
VL  - 132
SP  - 680
EP  - 684
DO  - 10.1016/j.talanta.2014.10.018
ER  - 

@article{
author = "Dorko, Zsanett and Verbić, Tatjana and Horvai, George",
year = "2015",
abstract = "Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Talanta",
title = "Selectivity in analytical chemistry: Two interpretations for univariate methods",
volume = "132",
pages = "680-684",
doi = "10.1016/j.talanta.2014.10.018"
}

Dorko, Z., Verbić, T.,& Horvai, G.. (2015). Selectivity in analytical chemistry: Two interpretations for univariate methods. in Talanta
Elsevier Science Bv, Amsterdam., 132, 680-684.
https://doi.org/10.1016/j.talanta.2014.10.018

Dorko Z, Verbić T, Horvai G. Selectivity in analytical chemistry: Two interpretations for univariate methods. in Talanta. 2015;132:680-684.
doi:10.1016/j.talanta.2014.10.018 .

Dorko, Zsanett, Verbić, Tatjana, Horvai, George, "Selectivity in analytical chemistry: Two interpretations for univariate methods" in Talanta, 132 (2015):680-684,
https://doi.org/10.1016/j.talanta.2014.10.018 . .

TY  - JOUR
AU  - Dorko, Zsanett
AU  - Szakolczai, Anett
AU  - Verbić, Tatjana
AU  - Horvai, George
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2021
AB  - Molecularly imprinted polymers bind their target compounds at binding sites. The binding sites are typically based on some type of functional group, such as carboxyl group. The total amount of such functional groups and their distribution into available and unavailable groups is not well known. The total binding capacity is usually indirectly determined from adsorption isotherms, which are measured much below the theoretical binding capacity. This work shows that in a variety of differently prepared, methacrylic acid based molecularly imprinted and nonimprinted polymers, all carboxylic groups used for the polymer synthesis are retained in the polymer, 80-90% of them can be accessed by strong bases and essentially the same amount can be used for adsorption of weak bases. This high level of adsorption can only be achieved, however, if the adsorbed weak base is strong enough, if the polymer is sufficiently elastic and if the solvent does not compete too strongly for the binding sites. These results may explain why the maximum binding capacities obtained from isotherm measurements are usually not equal to the total amount of available binding sites. This study confirms the usefulness of nonimprinted polymers at high loadings.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Journal of Separation Science
T1  - Binding capacity of molecularly imprinted polymers and their nonimprinted analogs
VL  - 38
IS  - 24
SP  - 4240
EP  - 4247
DO  - 10.1002/jssc.201500874
ER  - 

@article{
author = "Dorko, Zsanett and Szakolczai, Anett and Verbić, Tatjana and Horvai, George",
year = "2015",
abstract = "Molecularly imprinted polymers bind their target compounds at binding sites. The binding sites are typically based on some type of functional group, such as carboxyl group. The total amount of such functional groups and their distribution into available and unavailable groups is not well known. The total binding capacity is usually indirectly determined from adsorption isotherms, which are measured much below the theoretical binding capacity. This work shows that in a variety of differently prepared, methacrylic acid based molecularly imprinted and nonimprinted polymers, all carboxylic groups used for the polymer synthesis are retained in the polymer, 80-90% of them can be accessed by strong bases and essentially the same amount can be used for adsorption of weak bases. This high level of adsorption can only be achieved, however, if the adsorbed weak base is strong enough, if the polymer is sufficiently elastic and if the solvent does not compete too strongly for the binding sites. These results may explain why the maximum binding capacities obtained from isotherm measurements are usually not equal to the total amount of available binding sites. This study confirms the usefulness of nonimprinted polymers at high loadings.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Journal of Separation Science",
title = "Binding capacity of molecularly imprinted polymers and their nonimprinted analogs",
volume = "38",
number = "24",
pages = "4240-4247",
doi = "10.1002/jssc.201500874"
}

Dorko, Z., Szakolczai, A., Verbić, T.,& Horvai, G.. (2015). Binding capacity of molecularly imprinted polymers and their nonimprinted analogs. in Journal of Separation Science
Wiley-V C H Verlag Gmbh, Weinheim., 38(24), 4240-4247.
https://doi.org/10.1002/jssc.201500874

Dorko Z, Szakolczai A, Verbić T, Horvai G. Binding capacity of molecularly imprinted polymers and their nonimprinted analogs. in Journal of Separation Science. 2015;38(24):4240-4247.
doi:10.1002/jssc.201500874 .

Dorko, Zsanett, Szakolczai, Anett, Verbić, Tatjana, Horvai, George, "Binding capacity of molecularly imprinted polymers and their nonimprinted analogs" in Journal of Separation Science, 38, no. 24 (2015):4240-4247,
https://doi.org/10.1002/jssc.201500874 . .

TY  - JOUR
AU  - Dorko, Zsanett
AU  - Verbić, Tatjana
AU  - Horvai, George
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1703
AB  - Different measures of selectivity are in use for single channel and multichannel linear analytical measurements, respectively. It is important to understand that these two measures express related but still distinctly different features of the respective measurements. These relationships are clarified by introducing new arguments. The most widely used selectivity measure of multichannel linear methods (which is based on the net analyte signal, NAS, concept) expresses the sensitivity to random errors of a determination where all bias from interferents is computationally eliminated using pure component spectra. The conventional selectivity measure of single channel linear measurements, on the other hand, helps to estimate the bias caused by an interferent in a biased measurement. In single channel methods expert knowledge about the samples is used to limit the possible range of interferent concentrations. The same kind of expert knowledge allows improved (lower mean squared error, MSE) analyte determinations also in "classical" multichannel measurements if those are intractable due to perfect collinearity or to high noise inflation. To achieve this goal bias variance tradeoff is employed, hence there remains some bias in the results and therefore the concept of single channel selectivity can be extended in a natural way to multichannel measurements. This extended definition and the resulting selectivity measure can also be applied to the so-called inverse multivariate methods like partial least squares regression (PLSR), principal component regression (PCR) and ridge regression (RR). (C) 2015 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Talanta
T1  - Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry
VL  - 139
SP  - 40
EP  - 49
DO  - 10.1016/j.talanta.2015.02.030
ER  - 

@article{
author = "Dorko, Zsanett and Verbić, Tatjana and Horvai, George",
year = "2015",
abstract = "Different measures of selectivity are in use for single channel and multichannel linear analytical measurements, respectively. It is important to understand that these two measures express related but still distinctly different features of the respective measurements. These relationships are clarified by introducing new arguments. The most widely used selectivity measure of multichannel linear methods (which is based on the net analyte signal, NAS, concept) expresses the sensitivity to random errors of a determination where all bias from interferents is computationally eliminated using pure component spectra. The conventional selectivity measure of single channel linear measurements, on the other hand, helps to estimate the bias caused by an interferent in a biased measurement. In single channel methods expert knowledge about the samples is used to limit the possible range of interferent concentrations. The same kind of expert knowledge allows improved (lower mean squared error, MSE) analyte determinations also in "classical" multichannel measurements if those are intractable due to perfect collinearity or to high noise inflation. To achieve this goal bias variance tradeoff is employed, hence there remains some bias in the results and therefore the concept of single channel selectivity can be extended in a natural way to multichannel measurements. This extended definition and the resulting selectivity measure can also be applied to the so-called inverse multivariate methods like partial least squares regression (PLSR), principal component regression (PCR) and ridge regression (RR). (C) 2015 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Talanta",
title = "Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry",
volume = "139",
pages = "40-49",
doi = "10.1016/j.talanta.2015.02.030"
}

Dorko, Z., Verbić, T.,& Horvai, G.. (2015). Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry. in Talanta
Elsevier Science Bv, Amsterdam., 139, 40-49.
https://doi.org/10.1016/j.talanta.2015.02.030

Dorko Z, Verbić T, Horvai G. Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry. in Talanta. 2015;139:40-49.
doi:10.1016/j.talanta.2015.02.030 .

Dorko, Zsanett, Verbić, Tatjana, Horvai, George, "Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry" in Talanta, 139 (2015):40-49,
https://doi.org/10.1016/j.talanta.2015.02.030 . .

TY  - JOUR
AU  - Dorko, Zsanett
AU  - Verbić, Tatjana
AU  - Horvai, George
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1655
AB  - Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.
PB  - Elsevier Science Bv, Amsterdam
T2  - Talanta
T1  - Selectivity in analytical chemistry: Two interpretations for univariate methods
VL  - 132
SP  - 680
EP  - 684
DO  - 10.1016/j.talanta.2014.10.018
ER  - 

@article{
author = "Dorko, Zsanett and Verbić, Tatjana and Horvai, George",
year = "2015",
abstract = "Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Talanta",
title = "Selectivity in analytical chemistry: Two interpretations for univariate methods",
volume = "132",
pages = "680-684",
doi = "10.1016/j.talanta.2014.10.018"
}

Dorko, Z., Verbić, T.,& Horvai, G.. (2015). Selectivity in analytical chemistry: Two interpretations for univariate methods. in Talanta
Elsevier Science Bv, Amsterdam., 132, 680-684.
https://doi.org/10.1016/j.talanta.2014.10.018

Dorko Z, Verbić T, Horvai G. Selectivity in analytical chemistry: Two interpretations for univariate methods. in Talanta. 2015;132:680-684.
doi:10.1016/j.talanta.2014.10.018 .

Dorko, Zsanett, Verbić, Tatjana, Horvai, George, "Selectivity in analytical chemistry: Two interpretations for univariate methods" in Talanta, 132 (2015):680-684,
https://doi.org/10.1016/j.talanta.2014.10.018 . .

TY  - JOUR
AU  - Verbić, Tatjana
AU  - Dorko, Zsanett
AU  - Horvai, George
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1761
AB  - Quantitative chemical analysis in mixtures requires methods of appreciable selectivity. There is also an ever increasing pressure towards analytical chemists to prove the level of performance of analytical methods by appropriate figures of merit. Selectivity is a property of analytical methods and tools which appears to defy efforts for defining and measuring it. We analyze here a broad spectrum of books, papers, and official documents about selectivity. The approaches and definitions that we have found are quite divergent and sometimes obscure. The greatest dilemma appears to be if selectivity can be meaningfully graded or numerically characterized, i.e., if a figure of merit can be attributed to it. The question is raised if a general definition of analytical selectivity is possible at all.
PB  - Editura Acad Romane, Bucuresti
T2  - Revue Roumaine de Chimie
T1  - Selectivity in Analytical Chemistry
VL  - 58
IS  - 7-8
SP  - 569
EP  - 575
UR  - https://hdl.handle.net/21.15107/rcub_cherry_1761
ER  - 

@article{
author = "Verbić, Tatjana and Dorko, Zsanett and Horvai, George",
year = "2013",
abstract = "Quantitative chemical analysis in mixtures requires methods of appreciable selectivity. There is also an ever increasing pressure towards analytical chemists to prove the level of performance of analytical methods by appropriate figures of merit. Selectivity is a property of analytical methods and tools which appears to defy efforts for defining and measuring it. We analyze here a broad spectrum of books, papers, and official documents about selectivity. The approaches and definitions that we have found are quite divergent and sometimes obscure. The greatest dilemma appears to be if selectivity can be meaningfully graded or numerically characterized, i.e., if a figure of merit can be attributed to it. The question is raised if a general definition of analytical selectivity is possible at all.",
publisher = "Editura Acad Romane, Bucuresti",
journal = "Revue Roumaine de Chimie",
title = "Selectivity in Analytical Chemistry",
volume = "58",
number = "7-8",
pages = "569-575",
url = "https://hdl.handle.net/21.15107/rcub_cherry_1761"
}

Verbić, T., Dorko, Z.,& Horvai, G.. (2013). Selectivity in Analytical Chemistry. in Revue Roumaine de Chimie
Editura Acad Romane, Bucuresti., 58(7-8), 569-575.
https://hdl.handle.net/21.15107/rcub_cherry_1761

Verbić T, Dorko Z, Horvai G. Selectivity in Analytical Chemistry. in Revue Roumaine de Chimie. 2013;58(7-8):569-575.
https://hdl.handle.net/21.15107/rcub_cherry_1761 .

Verbić, Tatjana, Dorko, Zsanett, Horvai, George, "Selectivity in Analytical Chemistry" in Revue Roumaine de Chimie, 58, no. 7-8 (2013):569-575,
https://hdl.handle.net/21.15107/rcub_cherry_1761 .