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 .