TY  - JOUR
AU  - Jadranin, Milka
AU  - Avramović, Nataša
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Tasic, Ljubica
AU  - Tešević, Vele
AU  - Mandić, Boris
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6391
AB  - The Lipidomic profiles of serum samples from patients with bipolar disorder (BD) and healthy controls (C) were explored and compared. The sample cohort included 31 BD patients and 31 control individuals. An untargeted lipidomics study applying liquid chromatography (LC) coupled with high-resolution mass spectrometry (HRMS) was conducted to achieve the lipid profiles. Multivariate statistical analyses (principal component analysis and partial least squares discriminant analysis) were performed, and fifty-six differential lipids were confirmed in BD and controls. Our results pointed to alterations in lipid metabolism, including pathways of glycerophospholipids, sphingolipids, glycerolipids, and sterol lipids, in BD patient sera. This study emphasized the role of lipid pathways in BD, and comprehensive research using the LC-HRMS platform is necessary for future application in the diagnosis and improvement of BD treatments.
PB  - MDPI
T2  - International Journal of Molecular Sciences
T1  - Untargeted Lipidomics Study of Bipolar Disorder Patients in Serbia
VL  - 24
IS  - 22
SP  - 16025
DO  - 10.3390/ijms242216025
ER  - 

@article{
author = "Jadranin, Milka and Avramović, Nataša and Miladinović, Zoran P. and Gavrilović, Aleksandra and Tasic, Ljubica and Tešević, Vele and Mandić, Boris",
year = "2023",
abstract = "The Lipidomic profiles of serum samples from patients with bipolar disorder (BD) and healthy controls (C) were explored and compared. The sample cohort included 31 BD patients and 31 control individuals. An untargeted lipidomics study applying liquid chromatography (LC) coupled with high-resolution mass spectrometry (HRMS) was conducted to achieve the lipid profiles. Multivariate statistical analyses (principal component analysis and partial least squares discriminant analysis) were performed, and fifty-six differential lipids were confirmed in BD and controls. Our results pointed to alterations in lipid metabolism, including pathways of glycerophospholipids, sphingolipids, glycerolipids, and sterol lipids, in BD patient sera. This study emphasized the role of lipid pathways in BD, and comprehensive research using the LC-HRMS platform is necessary for future application in the diagnosis and improvement of BD treatments.",
publisher = "MDPI",
journal = "International Journal of Molecular Sciences",
title = "Untargeted Lipidomics Study of Bipolar Disorder Patients in Serbia",
volume = "24",
number = "22",
pages = "16025",
doi = "10.3390/ijms242216025"
}

Jadranin, M., Avramović, N., Miladinović, Z. P., Gavrilović, A., Tasic, L., Tešević, V.,& Mandić, B.. (2023). Untargeted Lipidomics Study of Bipolar Disorder Patients in Serbia. in International Journal of Molecular Sciences
MDPI., 24(22), 16025.
https://doi.org/10.3390/ijms242216025

Jadranin M, Avramović N, Miladinović ZP, Gavrilović A, Tasic L, Tešević V, Mandić B. Untargeted Lipidomics Study of Bipolar Disorder Patients in Serbia. in International Journal of Molecular Sciences. 2023;24(22):16025.
doi:10.3390/ijms242216025 .

Jadranin, Milka, Avramović, Nataša, Miladinović, Zoran P., Gavrilović, Aleksandra, Tasic, Ljubica, Tešević, Vele, Mandić, Boris, "Untargeted Lipidomics Study of Bipolar Disorder Patients in Serbia" in International Journal of Molecular Sciences, 24, no. 22 (2023):16025,
https://doi.org/10.3390/ijms242216025 . .

TY  - JOUR
AU  - Simić, Katarina
AU  - Miladinović, Zoran P.
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Avramović, Nataša
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6261
AB  - Bipolar disorder (BD) is a brain disorder that causes changes in a person’s mood, energy, and ability to function. It has a prevalence of 60 million people worldwide, and it is among the top 20 diseases with the highest global burden. The complexity of this disease, including diverse genetic, environmental, and biochemical factors, and diagnoses based on the subjective recognition of symptoms without any clinical test of biomarker identification create significant difficulties in understanding and diagnosing BD. A 1H-NMR-based metabolomic study applying chemometrics of serum samples of Serbian patients with BD (33) and healthy controls (39) was explored, providing the identification of 22 metabolites for this disease. A biomarker set including threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose was established for the first time in BD serum samples by an NMR-based metabolomics study. Six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in agreement with the previously determined NMR-based sets of serum biomarkers in Brazilian and/or Chinese patient samples. The same established metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) in three different ethnic and geographic origins (Serbia, Brazil, and China) might have a crucial role in the realization of a universal set of NMR biomarkers for BD.
PB  - MDPI
T2  - Metabolites
T1  - Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients
VL  - 13
IS  - 5
SP  - 607
DO  - 10.3390/metabo13050607
ER  - 

@article{
author = "Simić, Katarina and Miladinović, Zoran P. and Todorović, Nina and Trifunović, Snežana S. and Avramović, Nataša and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Bipolar disorder (BD) is a brain disorder that causes changes in a person’s mood, energy, and ability to function. It has a prevalence of 60 million people worldwide, and it is among the top 20 diseases with the highest global burden. The complexity of this disease, including diverse genetic, environmental, and biochemical factors, and diagnoses based on the subjective recognition of symptoms without any clinical test of biomarker identification create significant difficulties in understanding and diagnosing BD. A 1H-NMR-based metabolomic study applying chemometrics of serum samples of Serbian patients with BD (33) and healthy controls (39) was explored, providing the identification of 22 metabolites for this disease. A biomarker set including threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose was established for the first time in BD serum samples by an NMR-based metabolomics study. Six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in agreement with the previously determined NMR-based sets of serum biomarkers in Brazilian and/or Chinese patient samples. The same established metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) in three different ethnic and geographic origins (Serbia, Brazil, and China) might have a crucial role in the realization of a universal set of NMR biomarkers for BD.",
publisher = "MDPI",
journal = "Metabolites",
title = "Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients",
volume = "13",
number = "5",
pages = "607",
doi = "10.3390/metabo13050607"
}

Simić, K., Miladinović, Z. P., Todorović, N., Trifunović, S. S., Avramović, N., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2023). Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients. in Metabolites
MDPI., 13(5), 607.
https://doi.org/10.3390/metabo13050607

Simić K, Miladinović ZP, Todorović N, Trifunović SS, Avramović N, Gavrilović A, Jovanović S, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients. in Metabolites. 2023;13(5):607.
doi:10.3390/metabo13050607 .

Simić, Katarina, Miladinović, Zoran P., Todorović, Nina, Trifunović, Snežana S., Avramović, Nataša, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients" in Metabolites, 13, no. 5 (2023):607,
https://doi.org/10.3390/metabo13050607 . .

TY  - JOUR
AU  - Simić, Katarina
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Avramović, Nataša
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5613
AB  - Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort
VL  - 12
IS  - 8
SP  - 707
DO  - 10.3390/metabo12080707
ER  - 

@article{
author = "Simić, Katarina and Todorović, Nina and Trifunović, Snežana S. and Miladinović, Zoran P. and Gavrilović, Aleksandra and Jovanović, Silvana and Avramović, Nataša and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2022",
abstract = "Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort",
volume = "12",
number = "8",
pages = "707",
doi = "10.3390/metabo12080707"
}

Simić, K., Todorović, N., Trifunović, S. S., Miladinović, Z. P., Gavrilović, A., Jovanović, S., Avramović, N., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2022). NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. in Metabolites
MDPI., 12(8), 707.
https://doi.org/10.3390/metabo12080707

Simić K, Todorović N, Trifunović SS, Miladinović ZP, Gavrilović A, Jovanović S, Avramović N, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. in Metabolites. 2022;12(8):707.
doi:10.3390/metabo12080707 .

Simić, Katarina, Todorović, Nina, Trifunović, Snežana S., Miladinović, Zoran P., Gavrilović, Aleksandra, Jovanović, Silvana, Avramović, Nataša, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort" in Metabolites, 12, no. 8 (2022):707,
https://doi.org/10.3390/metabo12080707 . .

TY  - DATA
AU  - Simić, Katarina
AU  - Todorović, Nina
AU  - Trifunović, Snežana S.
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Avramović, Nataša
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag V.
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5619
AB  - Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.
VL  - 12
IS  - 8
SP  - 707
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5619
ER  - 

@misc{
author = "Simić, Katarina and Todorović, Nina and Trifunović, Snežana S. and Miladinović, Zoran P. and Gavrilović, Aleksandra and Jovanović, Silvana and Avramović, Nataša and Gođevac, Dejan and Vujisić, Ljubodrag V. and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2022",
abstract = "Schizophrenia is a widespread mental disorder that leads to significant functional impairments and premature death. The state of the art indicates gaps in the understanding and diagnosis of this disease, but also the need for personalized and precise approaches to patients through customized medical treatment and reliable monitoring of treatment response. In order to fulfill existing gaps, the establishment of a universal set of disorder biomarkers is a necessary step. Metabolomic investigations of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses associated with chemometrics, led to the identification of 26 metabolites/biomarkers for this disorder. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) models with prediction accuracies of 0.9718 and higher were accomplished during chemometric analysis. The established biomarker set includes aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols, which are identified for the first time in schizophrenia serum samples by NMR experiments. The other 22 identified metabolites in the Serbian samples are in accordance with the previously established NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. Thirteen metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) that are common for three different ethnic and geographic origins (Serbia, Brazil and China) could be a good start point for the setup of a universal NMR serum biomarker set for schizophrenia. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.",
volume = "12",
number = "8",
pages = "707",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5619"
}

Simić, K., Todorović, N., Trifunović, S. S., Miladinović, Z. P., Gavrilović, A., Jovanović, S., Avramović, N., Gođevac, D., Vujisić, L. V., Tešević, V., Tasić, L.,& Mandić, B.. (2022). Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.. in Metabolites
MDPI., 12(8), 707.
https://hdl.handle.net/21.15107/rcub_cherry_5619

Simić K, Todorović N, Trifunović SS, Miladinović ZP, Gavrilović A, Jovanović S, Avramović N, Gođevac D, Vujisić LV, Tešević V, Tasić L, Mandić B. Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707.. in Metabolites. 2022;12(8):707.
https://hdl.handle.net/21.15107/rcub_cherry_5619 .

Simić, Katarina, Todorović, Nina, Trifunović, Snežana S., Miladinović, Zoran P., Gavrilović, Aleksandra, Jovanović, Silvana, Avramović, Nataša, Gođevac, Dejan, Vujisić, Ljubodrag V., Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Supplementary material for: Simić, K.; Todorović, N.; Trifunović, S. S.; Miladinović, Z.; Gavrilović, A.; Jovanović, S.; Avramović, N.; Gođevac, D.; Vujisić, L. V.; Tešević, V.; Tasić, L.; Mandić, B. NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort. Metabolites 2022, 12 (8), 707. https://doi.org/10.3390/metabo12080707." in Metabolites, 12, no. 8 (2022):707,
https://hdl.handle.net/21.15107/rcub_cherry_5619 .

TY  - JOUR
AU  - Ivanović, Tijana
AU  - Popović, Daniela Ž.
AU  - Miladinović, Jelena
AU  - Rard, Joseph A.
AU  - Miladinović, Zoran P.
AU  - Pastor, Ferenc
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3663
AB  - Isopiestic measurements have been made at 55 compositions of the {yK2HPO4 + (1 − y)KH2PO4}(aq) system at T = (298.15 ± 0.01) K, 11 for each of the limiting binary solutions and 33 for mixture compositions at K2HPO4 stoichiometric ionic strength fractions y = (0.23330, 0.47671, and 0.73177), using KCl(aq) as the reference standard. Model parameters for the binary subsystems were evaluated at this temperature for an extended form of Pitzer's ion-interaction model and also for the Clegg, Pitzer and Brimblecombe model based on the mole-fraction-composition scale, using the present isopiestic results along with critically-assessed osmotic coefficients for both of these aqueous electrolytes as extracted from the published literature. The thermodynamic models for KH2PO4(aq) extend to slightly above the saturated solution molality at T = (298.15 ± 0.01) K, whereas those for K2HPO4(aq) extend to m = 9.7429 mol·kg−1, which is the molality of the saturated solution, also at T = (298.15 ± 0.01) K. These results yield the CODATA-compatible standard Gibbs energy of formation ΔfGmo(K2HPO4·3H2O,cr,298.15K)=-2367.70±1.60kJ·mol-1. The 33 osmotic coefficients for the ternary mixtures were likewise represented with these models, using both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms for the extended ion-interaction model. Two mixing parameters are needed for each of the three models for {yK2HPO4 + (1 − y)KH2PO4}(aq), and both of these ion-interaction models give similar high-quality representations of the experimental results. However, the Clegg, Pitzer and Brimblecombe model had more difficulty in representing the osmotic coefficients of K2HPO4(aq), especially below 3 mol·kg−1, and consequently the corresponding mixture model with two mixing parameters is slightly less accurate for representing the osmotic coefficients. The maximum difference in calculated values of the mean molality-based activity coefficients for the two recommended extended Pitzer models with the different types of mixing terms are 0.0061 for the trace activity coefficient of K2HPO4(aq) in KH2PO4(aq) but with much better agreement at most mixture compositions.
PB  - Elsevier
T2  - Journal of Chemical Thermodynamics
T1  - Isopiestic determination of the osmotic and activity coefficients of {yK2HPO4 + (1 − y)KH2PO4}(aq) at T = 298.15 K
VL  - 142
SP  - 105945
DO  - 10.1016/j.jct.2019.105945
ER  - 

@article{
author = "Ivanović, Tijana and Popović, Daniela Ž. and Miladinović, Jelena and Rard, Joseph A. and Miladinović, Zoran P. and Pastor, Ferenc",
year = "2020",
abstract = "Isopiestic measurements have been made at 55 compositions of the {yK2HPO4 + (1 − y)KH2PO4}(aq) system at T = (298.15 ± 0.01) K, 11 for each of the limiting binary solutions and 33 for mixture compositions at K2HPO4 stoichiometric ionic strength fractions y = (0.23330, 0.47671, and 0.73177), using KCl(aq) as the reference standard. Model parameters for the binary subsystems were evaluated at this temperature for an extended form of Pitzer's ion-interaction model and also for the Clegg, Pitzer and Brimblecombe model based on the mole-fraction-composition scale, using the present isopiestic results along with critically-assessed osmotic coefficients for both of these aqueous electrolytes as extracted from the published literature. The thermodynamic models for KH2PO4(aq) extend to slightly above the saturated solution molality at T = (298.15 ± 0.01) K, whereas those for K2HPO4(aq) extend to m = 9.7429 mol·kg−1, which is the molality of the saturated solution, also at T = (298.15 ± 0.01) K. These results yield the CODATA-compatible standard Gibbs energy of formation ΔfGmo(K2HPO4·3H2O,cr,298.15K)=-2367.70±1.60kJ·mol-1. The 33 osmotic coefficients for the ternary mixtures were likewise represented with these models, using both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms for the extended ion-interaction model. Two mixing parameters are needed for each of the three models for {yK2HPO4 + (1 − y)KH2PO4}(aq), and both of these ion-interaction models give similar high-quality representations of the experimental results. However, the Clegg, Pitzer and Brimblecombe model had more difficulty in representing the osmotic coefficients of K2HPO4(aq), especially below 3 mol·kg−1, and consequently the corresponding mixture model with two mixing parameters is slightly less accurate for representing the osmotic coefficients. The maximum difference in calculated values of the mean molality-based activity coefficients for the two recommended extended Pitzer models with the different types of mixing terms are 0.0061 for the trace activity coefficient of K2HPO4(aq) in KH2PO4(aq) but with much better agreement at most mixture compositions.",
publisher = "Elsevier",
journal = "Journal of Chemical Thermodynamics",
title = "Isopiestic determination of the osmotic and activity coefficients of {yK2HPO4 + (1 − y)KH2PO4}(aq) at T = 298.15 K",
volume = "142",
pages = "105945",
doi = "10.1016/j.jct.2019.105945"
}

Ivanović, T., Popović, D. Ž., Miladinović, J., Rard, J. A., Miladinović, Z. P.,& Pastor, F.. (2020). Isopiestic determination of the osmotic and activity coefficients of {yK2HPO4 + (1 − y)KH2PO4}(aq) at T = 298.15 K. in Journal of Chemical Thermodynamics
Elsevier., 142, 105945.
https://doi.org/10.1016/j.jct.2019.105945

Ivanović T, Popović DŽ, Miladinović J, Rard JA, Miladinović ZP, Pastor F. Isopiestic determination of the osmotic and activity coefficients of {yK2HPO4 + (1 − y)KH2PO4}(aq) at T = 298.15 K. in Journal of Chemical Thermodynamics. 2020;142:105945.
doi:10.1016/j.jct.2019.105945 .

Ivanović, Tijana, Popović, Daniela Ž., Miladinović, Jelena, Rard, Joseph A., Miladinović, Zoran P., Pastor, Ferenc, "Isopiestic determination of the osmotic and activity coefficients of {yK2HPO4 + (1 − y)KH2PO4}(aq) at T = 298.15 K" in Journal of Chemical Thermodynamics, 142 (2020):105945,
https://doi.org/10.1016/j.jct.2019.105945 . .

TY  - JOUR
AU  - Ivanović, Tijana
AU  - Popović, Daniela Ž.
AU  - Miladinović, Jelena
AU  - Rard, Joseph A.
AU  - Miladinović, Zoran P.
AU  - Pastor, Ferenc
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4775
AB  - Isopiestic measurements have been made for aqueous solutions of the common sodium cation mixtures of NaH2PO4and Na2HPO4at T = 298.15 ± 0.01 K, at NaH2PO4ionic strength fractions y = (0, 0.24851, 0.49862, 0.74544, and 1), where the ionic strength fractions were calculated by assuming complete electrolytic dissociation of NaH2PO4as 1:1 and Na2HPO4as 2:1 electrolytes; CaCl2(aq) was used as the reference standard solution. Model parameters for an extended form of Pitzer's ion-interaction model and also for the Clegg-Pitzer-Brimblecombe equations based on the mole-fraction-composition scale were evaluated at T = 298.15 K for both NaH2PO4(aq) and Na2HPO4(aq) using the isopiestic results from this study (17 values each) together with numerous critically assessed osmotic coefficients for both electrolytes taken from the published literature. The thermodynamic models for NaH2PO4(aq) extend to m = 7.5 mol·kg-1, whereas those for Na2HPO4(aq) extend to m = 2.6050 mol·kg-1, which is well above the solubility limit for the thermodynamically stable phase Na2HPO4·12H2O(cr). The 51 osmotic coefficients for the ternary mixtures were treated with these two models together with Scatchard's neutral-electrolyte model; one previous set of osmotic coefficient values for {yNaH2PO4+ (1 - y)Na2HPO4}(aq) mixtures was found in the literature [ Scharge, T.; et al. J. Chem. Thermodyn. 2015, 80, 172-183 ], and hence an analysis and comparison were made of our results with theirs.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Chemical and Engineering Data
T1  - Isopiestic Determination of Osmotic and Activity Coefficients of the { yNaH2PO4+ (1 - Y)Na2HPO4}(aq) System at T = 298.15 K
VL  - 65
IS  - 11
SP  - 5137
EP  - 5153
DO  - 10.1021/acs.jced.0c00281
ER  - 

@article{
author = "Ivanović, Tijana and Popović, Daniela Ž. and Miladinović, Jelena and Rard, Joseph A. and Miladinović, Zoran P. and Pastor, Ferenc",
year = "2020",
abstract = "Isopiestic measurements have been made for aqueous solutions of the common sodium cation mixtures of NaH2PO4and Na2HPO4at T = 298.15 ± 0.01 K, at NaH2PO4ionic strength fractions y = (0, 0.24851, 0.49862, 0.74544, and 1), where the ionic strength fractions were calculated by assuming complete electrolytic dissociation of NaH2PO4as 1:1 and Na2HPO4as 2:1 electrolytes; CaCl2(aq) was used as the reference standard solution. Model parameters for an extended form of Pitzer's ion-interaction model and also for the Clegg-Pitzer-Brimblecombe equations based on the mole-fraction-composition scale were evaluated at T = 298.15 K for both NaH2PO4(aq) and Na2HPO4(aq) using the isopiestic results from this study (17 values each) together with numerous critically assessed osmotic coefficients for both electrolytes taken from the published literature. The thermodynamic models for NaH2PO4(aq) extend to m = 7.5 mol·kg-1, whereas those for Na2HPO4(aq) extend to m = 2.6050 mol·kg-1, which is well above the solubility limit for the thermodynamically stable phase Na2HPO4·12H2O(cr). The 51 osmotic coefficients for the ternary mixtures were treated with these two models together with Scatchard's neutral-electrolyte model; one previous set of osmotic coefficient values for {yNaH2PO4+ (1 - y)Na2HPO4}(aq) mixtures was found in the literature [ Scharge, T.; et al. J. Chem. Thermodyn. 2015, 80, 172-183 ], and hence an analysis and comparison were made of our results with theirs.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Chemical and Engineering Data",
title = "Isopiestic Determination of Osmotic and Activity Coefficients of the { yNaH2PO4+ (1 - Y)Na2HPO4}(aq) System at T = 298.15 K",
volume = "65",
number = "11",
pages = "5137-5153",
doi = "10.1021/acs.jced.0c00281"
}

Ivanović, T., Popović, D. Ž., Miladinović, J., Rard, J. A., Miladinović, Z. P.,& Pastor, F.. (2020). Isopiestic Determination of Osmotic and Activity Coefficients of the { yNaH2PO4+ (1 - Y)Na2HPO4}(aq) System at T = 298.15 K. in Journal of Chemical and Engineering Data
Amer Chemical Soc, Washington., 65(11), 5137-5153.
https://doi.org/10.1021/acs.jced.0c00281

Ivanović T, Popović DŽ, Miladinović J, Rard JA, Miladinović ZP, Pastor F. Isopiestic Determination of Osmotic and Activity Coefficients of the { yNaH2PO4+ (1 - Y)Na2HPO4}(aq) System at T = 298.15 K. in Journal of Chemical and Engineering Data. 2020;65(11):5137-5153.
doi:10.1021/acs.jced.0c00281 .

Ivanović, Tijana, Popović, Daniela Ž., Miladinović, Jelena, Rard, Joseph A., Miladinović, Zoran P., Pastor, Ferenc, "Isopiestic Determination of Osmotic and Activity Coefficients of the { yNaH2PO4+ (1 - Y)Na2HPO4}(aq) System at T = 298.15 K" in Journal of Chemical and Engineering Data, 65, no. 11 (2020):5137-5153,
https://doi.org/10.1021/acs.jced.0c00281 . .