TY  - JOUR
AU  - Sofrenić, Ivana
AU  - Anđelković, Boban D.
AU  - Gođevac, Dejan
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Ljujić, Jovana
AU  - Tešević, Vele
AU  - Milosavljević, Slobodan M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5811
AB  - Chemotaxonomy presents various challenges that need to be overcome in order to obtain valid and reliable results. Individual genetic and environmental variations can give a false picture and lead to wrong conclusions. Applying a holistic approach, based on multivariate data analysis, these challenges can be overcome. Thus, a metabolomics approach has to be optimized depending on the subject of research. We used 1H NMR-based metabolomics as a potential chemotaxonomic tool on the selected Euphorbia species growing wild in Serbia. Principal components analysis (PCA), soft independent modeling by class analogy (SIMCA) and Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) were used to analyze obtained NMR data in order to reveal chemotaxonomic biomarkers. The standard protocol for plant metabolomics was optimized aiming to extract more specific metabolites, which are characteristic for the Euphorbia genus. The obtained models were validated, which revealed that variables unique for each species were associated with certain classes of molecules according to literature data. In E. salicifolia, acacetin-7-O-glycoside (not found before in the species) was detected, and the structure of the aglycone part was solved based on 2D NMR data. In the presented paper, we have shown that metabolomics can be successfully used in Euphorbia chemotaxonomy.
PB  - MDPI
T2  - Plants
T1  - Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia
VL  - 12
IS  - 2
SP  - 262
DO  - 10.3390/plants12020262
ER  - 

@article{
author = "Sofrenić, Ivana and Anđelković, Boban D. and Gođevac, Dejan and Ivanović, Stefan and Simić, Katarina and Ljujić, Jovana and Tešević, Vele and Milosavljević, Slobodan M.",
year = "2023",
abstract = "Chemotaxonomy presents various challenges that need to be overcome in order to obtain valid and reliable results. Individual genetic and environmental variations can give a false picture and lead to wrong conclusions. Applying a holistic approach, based on multivariate data analysis, these challenges can be overcome. Thus, a metabolomics approach has to be optimized depending on the subject of research. We used 1H NMR-based metabolomics as a potential chemotaxonomic tool on the selected Euphorbia species growing wild in Serbia. Principal components analysis (PCA), soft independent modeling by class analogy (SIMCA) and Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) were used to analyze obtained NMR data in order to reveal chemotaxonomic biomarkers. The standard protocol for plant metabolomics was optimized aiming to extract more specific metabolites, which are characteristic for the Euphorbia genus. The obtained models were validated, which revealed that variables unique for each species were associated with certain classes of molecules according to literature data. In E. salicifolia, acacetin-7-O-glycoside (not found before in the species) was detected, and the structure of the aglycone part was solved based on 2D NMR data. In the presented paper, we have shown that metabolomics can be successfully used in Euphorbia chemotaxonomy.",
publisher = "MDPI",
journal = "Plants",
title = "Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia",
volume = "12",
number = "2",
pages = "262",
doi = "10.3390/plants12020262"
}

Sofrenić, I., Anđelković, B. D., Gođevac, D., Ivanović, S., Simić, K., Ljujić, J., Tešević, V.,& Milosavljević, S. M.. (2023). Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia. in Plants
MDPI., 12(2), 262.
https://doi.org/10.3390/plants12020262

Sofrenić I, Anđelković BD, Gođevac D, Ivanović S, Simić K, Ljujić J, Tešević V, Milosavljević SM. Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia. in Plants. 2023;12(2):262.
doi:10.3390/plants12020262 .

Sofrenić, Ivana, Anđelković, Boban D., Gođevac, Dejan, Ivanović, Stefan, Simić, Katarina, Ljujić, Jovana, Tešević, Vele, Milosavljević, Slobodan M., "Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia" in Plants, 12, no. 2 (2023):262,
https://doi.org/10.3390/plants12020262 . .

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  - Gođevac, Dejan
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Anđelković, Boban D.
AU  - Jovanović, Živko S.
AU  - Rakić, Tamara
PY  - 2022
UR  - https://onlinelibrary.wiley.com/doi/abs/10.1002/pca.3151
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5417
AB  - Introduction Ramonda serbica and R. nathaliae are resurrection plants that have the remarkable ability to survive the complete desiccation of their vegetative organs (i.e. leaves, stem, roots) during periods of drought and rapidly revive when rewatered and rehydrated. Objective To investigate metabolic changes in R. serbica and R. nathaliae during their desiccation and recovery process Methods Proton nuclear magnetic resonance (1H-NMR) and gas chromatography–mass spectrometry (GC–MS)-based metabolomics approach coupled with multivariate data analysis was utilised to identify the metabolomes of the plants from 90 biological replicates. Results Sucrose and the polyphenolic glycoside myconoside were predominant in almost equal amounts in all samples studied, regardless of their water content at sampling. During the dehydration process, a decrease in the relative content of fructose, galactose, and galactinol was observed while the contents of those metabolites were preserved in the partially rehydrated plants. Raffinose and myo-inositol were accumulated in dry samples. Conclusion Using 1H-NMR and GC–MS as two complementary analytical platforms provided a more complete picture of the metabolite composition for investigation of the desiccation and recovery process in resurrection plants.
PB  - Wiley
T2  - Phytochemical Analysis
T2  - Phytochemical Analysis
T1  - Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae
VL  - 33
IS  - 6
SP  - 961
EP  - 970
DO  - 10.1002/pca.3151
ER  - 

@article{
author = "Gođevac, Dejan and Ivanović, Stefan and Simić, Katarina and Anđelković, Boban D. and Jovanović, Živko S. and Rakić, Tamara",
year = "2022",
abstract = "Introduction Ramonda serbica and R. nathaliae are resurrection plants that have the remarkable ability to survive the complete desiccation of their vegetative organs (i.e. leaves, stem, roots) during periods of drought and rapidly revive when rewatered and rehydrated. Objective To investigate metabolic changes in R. serbica and R. nathaliae during their desiccation and recovery process Methods Proton nuclear magnetic resonance (1H-NMR) and gas chromatography–mass spectrometry (GC–MS)-based metabolomics approach coupled with multivariate data analysis was utilised to identify the metabolomes of the plants from 90 biological replicates. Results Sucrose and the polyphenolic glycoside myconoside were predominant in almost equal amounts in all samples studied, regardless of their water content at sampling. During the dehydration process, a decrease in the relative content of fructose, galactose, and galactinol was observed while the contents of those metabolites were preserved in the partially rehydrated plants. Raffinose and myo-inositol were accumulated in dry samples. Conclusion Using 1H-NMR and GC–MS as two complementary analytical platforms provided a more complete picture of the metabolite composition for investigation of the desiccation and recovery process in resurrection plants.",
publisher = "Wiley",
journal = "Phytochemical Analysis, Phytochemical Analysis",
title = "Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae",
volume = "33",
number = "6",
pages = "961-970",
doi = "10.1002/pca.3151"
}

Gođevac, D., Ivanović, S., Simić, K., Anđelković, B. D., Jovanović, Ž. S.,& Rakić, T.. (2022). Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae. in Phytochemical Analysis
Wiley., 33(6), 961-970.
https://doi.org/10.1002/pca.3151

Gođevac D, Ivanović S, Simić K, Anđelković BD, Jovanović ŽS, Rakić T. Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae. in Phytochemical Analysis. 2022;33(6):961-970.
doi:10.1002/pca.3151 .

Gođevac, Dejan, Ivanović, Stefan, Simić, Katarina, Anđelković, Boban D., Jovanović, Živko S., Rakić, Tamara, "Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae" in Phytochemical Analysis, 33, no. 6 (2022):961-970,
https://doi.org/10.1002/pca.3151 . .

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, Stefan
AU  - Simić, Katarina
AU  - Lekić, Stefan
AU  - Jadranin, Milka
AU  - Vujisić, Ljubodrag V.
AU  - Gođevac, Dejan
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5655
AB  - Allium ursinum and poisonous adulterants Convallaria majalis and Arum maculatum were used as a model for detection of adulterants in edible plant. A. ursinum samples were spiked with C. majalis and A. maculatum to mimic adulteration. Metabolomic fingerprinting of all samples was performed using 1H NMR spectroscopy, and the resulting data sets were subjected to multivariate data analysis. As a result of this analysis, signals of adulterants were extracted from the data, and the structures of biomarkers of adulteration from partially purified samples were elucidated using 2D NMR and LC-MS techniques. Thus, isovitexin and vicenin II, azetidine-2-carboxylic acid, and trigonelline indicated adulteration of A. ursinum samples with C. majalis. Isovitexin was also recognized to be an indicator of adulteration of A. ursinum with A. maculatum. In conclusion, the case study of A. ursinum suggested that plant metabolomics approach could be utilized for identification of low molecular weight biomarkers of adulteration in edible plants. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum
VL  - 12
SP  - 849
DO  - 10.3390/metabo12090849
ER  - 

@article{
author = "Ivanović, Stefan and Simić, Katarina and Lekić, Stefan and Jadranin, Milka and Vujisić, Ljubodrag V. and Gođevac, Dejan",
year = "2022",
abstract = "Allium ursinum and poisonous adulterants Convallaria majalis and Arum maculatum were used as a model for detection of adulterants in edible plant. A. ursinum samples were spiked with C. majalis and A. maculatum to mimic adulteration. Metabolomic fingerprinting of all samples was performed using 1H NMR spectroscopy, and the resulting data sets were subjected to multivariate data analysis. As a result of this analysis, signals of adulterants were extracted from the data, and the structures of biomarkers of adulteration from partially purified samples were elucidated using 2D NMR and LC-MS techniques. Thus, isovitexin and vicenin II, azetidine-2-carboxylic acid, and trigonelline indicated adulteration of A. ursinum samples with C. majalis. Isovitexin was also recognized to be an indicator of adulteration of A. ursinum with A. maculatum. In conclusion, the case study of A. ursinum suggested that plant metabolomics approach could be utilized for identification of low molecular weight biomarkers of adulteration in edible plants. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum",
volume = "12",
pages = "849",
doi = "10.3390/metabo12090849"
}

Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L. V.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites
MDPI., 12, 849.
https://doi.org/10.3390/metabo12090849

Ivanović S, Simić K, Lekić S, Jadranin M, Vujisić LV, Gođevac D. Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites. 2022;12:849.
doi:10.3390/metabo12090849 .

Ivanović, Stefan, Simić, Katarina, Lekić, Stefan, Jadranin, Milka, Vujisić, Ljubodrag V., Gođevac, Dejan, "Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum" in Metabolites, 12 (2022):849,
https://doi.org/10.3390/metabo12090849 . .

TY  - DATA
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Lekić, Stefan
AU  - Jadranin, Milka
AU  - Vujisić, Ljubodrag V.
AU  - Gođevac, Dejan
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5660
AB  - Allium ursinum and poisonous adulterants Convallaria majalis and Arum maculatum were used as a model for detection of adulterants in edible plant. A. ursinum samples were spiked with C. majalis and A. maculatum to mimic adulteration. Metabolomic fingerprinting of all samples was performed using 1H NMR spectroscopy, and the resulting data sets were subjected to multivariate data analysis. As a result of this analysis, signals of adulterants were extracted from the data, and the structures of biomarkers of adulteration from partially purified samples were elucidated using 2D NMR and LC-MS techniques. Thus, isovitexin and vicenin II, azetidine-2-carboxylic acid, and trigonelline indicated adulteration of A. ursinum samples with C. majalis. Isovitexin was also recognized to be an indicator of adulteration of A. ursinum with A. maculatum. In conclusion, the case study of A. ursinum suggested that plant metabolomics approach could be utilized for identification of low molecular weight biomarkers of adulteration in edible plants. © 2022 by the authors.
PB  - MDPI
T2  - Metabolites
T1  - Supplementary material for: Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites MDPI., 12, 849. https://doi.org/10.3390/metabo12090849
VL  - 12
SP  - 849
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5660
ER  - 

@misc{
author = "Ivanović, Stefan and Simić, Katarina and Lekić, Stefan and Jadranin, Milka and Vujisić, Ljubodrag V. and Gođevac, Dejan",
year = "2022",
abstract = "Allium ursinum and poisonous adulterants Convallaria majalis and Arum maculatum were used as a model for detection of adulterants in edible plant. A. ursinum samples were spiked with C. majalis and A. maculatum to mimic adulteration. Metabolomic fingerprinting of all samples was performed using 1H NMR spectroscopy, and the resulting data sets were subjected to multivariate data analysis. As a result of this analysis, signals of adulterants were extracted from the data, and the structures of biomarkers of adulteration from partially purified samples were elucidated using 2D NMR and LC-MS techniques. Thus, isovitexin and vicenin II, azetidine-2-carboxylic acid, and trigonelline indicated adulteration of A. ursinum samples with C. majalis. Isovitexin was also recognized to be an indicator of adulteration of A. ursinum with A. maculatum. In conclusion, the case study of A. ursinum suggested that plant metabolomics approach could be utilized for identification of low molecular weight biomarkers of adulteration in edible plants. © 2022 by the authors.",
publisher = "MDPI",
journal = "Metabolites",
title = "Supplementary material for: Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites MDPI., 12, 849. https://doi.org/10.3390/metabo12090849",
volume = "12",
pages = "849",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5660"
}

Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L. V.,& Gođevac, D.. (2022). Supplementary material for: Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites MDPI., 12, 849. https://doi.org/10.3390/metabo12090849. in Metabolites
MDPI., 12, 849.
https://hdl.handle.net/21.15107/rcub_cherry_5660

Ivanović S, Simić K, Lekić S, Jadranin M, Vujisić LV, Gođevac D. Supplementary material for: Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites MDPI., 12, 849. https://doi.org/10.3390/metabo12090849. in Metabolites. 2022;12:849.
https://hdl.handle.net/21.15107/rcub_cherry_5660 .

Ivanović, Stefan, Simić, Katarina, Lekić, Stefan, Jadranin, Milka, Vujisić, Ljubodrag V., Gođevac, Dejan, "Supplementary material for: Ivanović, S., Simić, K., Lekić, S., Jadranin, M., Vujisić, L.,& Gođevac, D.. (2022). Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites MDPI., 12, 849. https://doi.org/10.3390/metabo12090849" in Metabolites, 12 (2022):849,
https://hdl.handle.net/21.15107/rcub_cherry_5660 .

TY  - JOUR
AU  - Sofrenić, Ivana V.
AU  - Ljujić, Jovana
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Stanković-Jeremić, Jovana
AU  - Ćirić, Ana
AU  - Soković, Marina
AU  - Anđelković, Boban D.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4940
AB  - The objective of this study was to test four-dimensional LC-ESI-MS/MS chromatography in analysis of complex mixture such as ethanol extracts of different propolis samples. In total more than 1200 picks were identified and only for 185 literature conformation was found. The given data represent the result of tentative identification, and summarized results are given in the text. Comparing the samples, from different altitudes, 96 components were detected as characteristic in high altitude samples and 18 in samples collected at low altitudes. Antimicrobial activity of ethanol extracts of propolis (EEP) and pro­pyl­ene glycol extracts of propolis (PGEP) were carried out on S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli and E. cloacae bacterial strains and compared with broad-spectrum antibiotics, streptomycin and ampicillin. Anti-quorum sensing activity was performed on P. aeruginosa by testing the effect of representative propolis extracts on bio­film formation, twitching and motility activity and production of pyocyanin. We demonstrated that the majority of explored propolis extracts have greater or equal minimal inhibitory concentration and minimum bactericidal concen­tra­tion values compared to antibiotics, independently of the solvent used for the extraction. The samples collected from the highest altitude emerged as least active antimicrobial agents but with the greatest potential as anti-quorum sen­sing agents.
AB  - Циљ овог истраживања је билo тестирање четвородимензионалне LC–ESI-MS/MS хроматографије у анализи комплексних смеша, као што су етанолни екстракти различитих узорака прополиса. Укупно је идентификовано више од 1200 пикова, а самo за 185 смо нашли литературну потврду. Приказани подаци представљају тентативну идентификацију и сумирани резултат је дат у тексту. Поређењем узорака са различитих надморских висина, за 96 једињења је утврђено да се налазе само у узорцима са високе надморске висине и 18 само у узорцима прикупљеним на нижим надморским висинама. Антибактеријске активности етанолних и пропиленгликолних екстрактата прополиса (EEP и PGEP, редом) тестиране су на S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli и E. cloacae бактеријским линијама и поређене са анти- биотицима широког спектра деловања, стрептомицином и ампицилином. Anti-quorum sensing активност је тестирана на P. aeruginosa испитивањем ефекта репрезентативних екстраката прополиса на формирање биофилма, тестовима покретљивости руба коло- није (twitching и mobility) и производње пиоцианина. Показали смо да највећи број, коришћених екстраката прополиса, има истe и/или мање MIC и MBC вредности, у поре- ђењу са атибиотицима, независно од растварача коришћеног за екстракцију. Узорци прикупљени на високим надморским висинама су се показали као најмање активни антибактерициди али имају велики anti-quorum sensing потенцијал.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential
T1  - Примена lc–ms/ms технике са јонском покретљивошћу за хемијску анализу екстраката прополиса са антимикробним потенцијалом.
IS  - 12
SP  - 1205
EP  - 1218
DO  - 10.2298/JSC210812086S
ER  - 

@article{
author = "Sofrenić, Ivana V. and Ljujić, Jovana and Simić, Katarina and Ivanović, Stefan and Stanković-Jeremić, Jovana and Ćirić, Ana and Soković, Marina and Anđelković, Boban D.",
year = "2021",
abstract = "The objective of this study was to test four-dimensional LC-ESI-MS/MS chromatography in analysis of complex mixture such as ethanol extracts of different propolis samples. In total more than 1200 picks were identified and only for 185 literature conformation was found. The given data represent the result of tentative identification, and summarized results are given in the text. Comparing the samples, from different altitudes, 96 components were detected as characteristic in high altitude samples and 18 in samples collected at low altitudes. Antimicrobial activity of ethanol extracts of propolis (EEP) and pro­pyl­ene glycol extracts of propolis (PGEP) were carried out on S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli and E. cloacae bacterial strains and compared with broad-spectrum antibiotics, streptomycin and ampicillin. Anti-quorum sensing activity was performed on P. aeruginosa by testing the effect of representative propolis extracts on bio­film formation, twitching and motility activity and production of pyocyanin. We demonstrated that the majority of explored propolis extracts have greater or equal minimal inhibitory concentration and minimum bactericidal concen­tra­tion values compared to antibiotics, independently of the solvent used for the extraction. The samples collected from the highest altitude emerged as least active antimicrobial agents but with the greatest potential as anti-quorum sen­sing agents., Циљ овог истраживања је билo тестирање четвородимензионалне LC–ESI-MS/MS хроматографије у анализи комплексних смеша, као што су етанолни екстракти различитих узорака прополиса. Укупно је идентификовано више од 1200 пикова, а самo за 185 смо нашли литературну потврду. Приказани подаци представљају тентативну идентификацију и сумирани резултат је дат у тексту. Поређењем узорака са различитих надморских висина, за 96 једињења је утврђено да се налазе само у узорцима са високе надморске висине и 18 само у узорцима прикупљеним на нижим надморским висинама. Антибактеријске активности етанолних и пропиленгликолних екстрактата прополиса (EEP и PGEP, редом) тестиране су на S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli и E. cloacae бактеријским линијама и поређене са анти- биотицима широког спектра деловања, стрептомицином и ампицилином. Anti-quorum sensing активност је тестирана на P. aeruginosa испитивањем ефекта репрезентативних екстраката прополиса на формирање биофилма, тестовима покретљивости руба коло- није (twitching и mobility) и производње пиоцианина. Показали смо да највећи број, коришћених екстраката прополиса, има истe и/или мање MIC и MBC вредности, у поре- ђењу са атибиотицима, независно од растварача коришћеног за екстракцију. Узорци прикупљени на високим надморским висинама су се показали као најмање активни антибактерициди али имају велики anti-quorum sensing потенцијал.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential, Примена lc–ms/ms технике са јонском покретљивошћу за хемијску анализу екстраката прополиса са антимикробним потенцијалом.",
number = "12",
pages = "1205-1218",
doi = "10.2298/JSC210812086S"
}

Sofrenić, I. V., Ljujić, J., Simić, K., Ivanović, S., Stanković-Jeremić, J., Ćirić, A., Soković, M.,& Anđelković, B. D.. (2021). Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential. in Journal of the Serbian Chemical Society
Serbian Chemical Society.(12), 1205-1218.
https://doi.org/10.2298/JSC210812086S

Sofrenić IV, Ljujić J, Simić K, Ivanović S, Stanković-Jeremić J, Ćirić A, Soković M, Anđelković BD. Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential. in Journal of the Serbian Chemical Society. 2021;(12):1205-1218.
doi:10.2298/JSC210812086S .

Sofrenić, Ivana V., Ljujić, Jovana, Simić, Katarina, Ivanović, Stefan, Stanković-Jeremić, Jovana, Ćirić, Ana, Soković, Marina, Anđelković, Boban D., "Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential" in Journal of the Serbian Chemical Society, no. 12 (2021):1205-1218,
https://doi.org/10.2298/JSC210812086S . .

TY  - JOUR
AU  - Đorđević, Iris
AU  - Cvetković, Mirjana
AU  - Jadranin, Milka
AU  - Bojović, Srđan R.
AU  - Anđelković, Boban D.
AU  - Sofrenić, Ivana V.
AU  - Simić, Katarina
PY  - 2021
UR  - http://www.doiserbia.nb.rs/Article.aspx?ID=0352-51392100083D
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4941
AB  - Phytochemistry deals with the study of secondary metabolites produced by plants that synthesize these compounds for many reasons, including their own protection against attack of herbivores and plant diseases. Secondary metabolites are believed to represent plant adaptation to various environmental factors and that they enabled the survival of the species. Secondary metabolites of plants can have curative or toxic effects in humans and animals. Herbal medicine has a long tradition in folk medicine and until the early 20th century, when synthetic organic chemistry began to develop, plants were the main source of medicines. The two basic goals of our phytochemical research are: isolation and identification of new (biologically active) compounds ? potential drugs, and chemotaxonomy (chemosystematics). In the following text through one selected example, the genus Amphoricarpos Vis., our phytochemical research is shown on both aspects.
PB  - Belgrade : Serbian Chemical Socitey
T2  - Journal of the Serbian Chemical Society
T1  - Phytochemical study of the genus Amphoricarpos
VL  - 86
IS  - 12
SP  - 1177
EP  - 1193
DO  - 10.2298/JSC210726083D
ER  - 

@article{
author = "Đorđević, Iris and Cvetković, Mirjana and Jadranin, Milka and Bojović, Srđan R. and Anđelković, Boban D. and Sofrenić, Ivana V. and Simić, Katarina",
year = "2021",
abstract = "Phytochemistry deals with the study of secondary metabolites produced by plants that synthesize these compounds for many reasons, including their own protection against attack of herbivores and plant diseases. Secondary metabolites are believed to represent plant adaptation to various environmental factors and that they enabled the survival of the species. Secondary metabolites of plants can have curative or toxic effects in humans and animals. Herbal medicine has a long tradition in folk medicine and until the early 20th century, when synthetic organic chemistry began to develop, plants were the main source of medicines. The two basic goals of our phytochemical research are: isolation and identification of new (biologically active) compounds ? potential drugs, and chemotaxonomy (chemosystematics). In the following text through one selected example, the genus Amphoricarpos Vis., our phytochemical research is shown on both aspects.",
publisher = "Belgrade : Serbian Chemical Socitey",
journal = "Journal of the Serbian Chemical Society",
title = "Phytochemical study of the genus Amphoricarpos",
volume = "86",
number = "12",
pages = "1177-1193",
doi = "10.2298/JSC210726083D"
}

Đorđević, I., Cvetković, M., Jadranin, M., Bojović, S. R., Anđelković, B. D., Sofrenić, I. V.,& Simić, K.. (2021). Phytochemical study of the genus Amphoricarpos. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Socitey., 86(12), 1177-1193.
https://doi.org/10.2298/JSC210726083D

Đorđević I, Cvetković M, Jadranin M, Bojović SR, Anđelković BD, Sofrenić IV, Simić K. Phytochemical study of the genus Amphoricarpos. in Journal of the Serbian Chemical Society. 2021;86(12):1177-1193.
doi:10.2298/JSC210726083D .

Đorđević, Iris, Cvetković, Mirjana, Jadranin, Milka, Bojović, Srđan R., Anđelković, Boban D., Sofrenić, Ivana V., Simić, Katarina, "Phytochemical study of the genus Amphoricarpos" in Journal of the Serbian Chemical Society, 86, no. 12 (2021):1177-1193,
https://doi.org/10.2298/JSC210726083D . .

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Mandrone, Manuela
AU  - Simić, Katarina
AU  - Ristić, Mirjana
AU  - Todosijević, Marina
AU  - Mandić, Boris
AU  - Gođevac, Dejan
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5035
AB  - Oregano is one of the most used culinary herb and it is often adulterated with cheaper plants. In this study, GC–MS was used for identification
and quantification of metabolites from 104 samples of oregano (Origanum vulgare and O. onites) adulterated with olive (Olea europaea), venetian sumac
(Cotinus coggygria) and myrtle (Myrtus communis) leaves, at five different
concentration levels. The metabolomics profiles obtained after the two-step
derivatization, involving methoxyamination and silanization, were subjected to
multivariate data analysis to reveal markers of adulteration and to build the regression models on the basis of the oregano-to-adulterants mixing ratio. Orthogonal partial least squares enabled detection of oregano adulterations with
olive, Venetian sumac and myrtle leaves. Sorbitol levels distinguished oregano
samples adulterated with olive leaves, while shikimic and quinic acids were
recognized as discrimination factor for adulteration of oregano with venetian
sumac. Fructose and quinic acid levels correlated with oregano adulteration
with myrtle. Orthogonal partial least squares discriminant analysis enabled discrimination of O. vulgare and O. onites samples, where catechollactate was
found to be discriminating metabolite.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - GC–MS-based metabolomics for the detection of adulteration in oregano samples
VL  - 86
IS  - 12
SP  - 1195
EP  - 1203
DO  - 10.2298/JSC210809089I
ER  - 

@article{
author = "Ivanović, Stefan and Mandrone, Manuela and Simić, Katarina and Ristić, Mirjana and Todosijević, Marina and Mandić, Boris and Gođevac, Dejan",
year = "2021",
abstract = "Oregano is one of the most used culinary herb and it is often adulterated with cheaper plants. In this study, GC–MS was used for identification
and quantification of metabolites from 104 samples of oregano (Origanum vulgare and O. onites) adulterated with olive (Olea europaea), venetian sumac
(Cotinus coggygria) and myrtle (Myrtus communis) leaves, at five different
concentration levels. The metabolomics profiles obtained after the two-step
derivatization, involving methoxyamination and silanization, were subjected to
multivariate data analysis to reveal markers of adulteration and to build the regression models on the basis of the oregano-to-adulterants mixing ratio. Orthogonal partial least squares enabled detection of oregano adulterations with
olive, Venetian sumac and myrtle leaves. Sorbitol levels distinguished oregano
samples adulterated with olive leaves, while shikimic and quinic acids were
recognized as discrimination factor for adulteration of oregano with venetian
sumac. Fructose and quinic acid levels correlated with oregano adulteration
with myrtle. Orthogonal partial least squares discriminant analysis enabled discrimination of O. vulgare and O. onites samples, where catechollactate was
found to be discriminating metabolite.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "GC–MS-based metabolomics for the detection of adulteration in oregano samples",
volume = "86",
number = "12",
pages = "1195-1203",
doi = "10.2298/JSC210809089I"
}

Ivanović, S., Mandrone, M., Simić, K., Ristić, M., Todosijević, M., Mandić, B.,& Gođevac, D.. (2021). GC–MS-based metabolomics for the detection of adulteration in oregano samples. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 86(12), 1195-1203.
https://doi.org/10.2298/JSC210809089I

Ivanović S, Mandrone M, Simić K, Ristić M, Todosijević M, Mandić B, Gođevac D. GC–MS-based metabolomics for the detection of adulteration in oregano samples. in Journal of the Serbian Chemical Society. 2021;86(12):1195-1203.
doi:10.2298/JSC210809089I .

Ivanović, Stefan, Mandrone, Manuela, Simić, Katarina, Ristić, Mirjana, Todosijević, Marina, Mandić, Boris, Gođevac, Dejan, "GC–MS-based metabolomics for the detection of adulteration in oregano samples" in Journal of the Serbian Chemical Society, 86, no. 12 (2021):1195-1203,
https://doi.org/10.2298/JSC210809089I . .

TY  - DATA
AU  - Ivanović, Stefan
AU  - Mandrone, Manuela
AU  - Simić, Katarina
AU  - Ristić, Mirjana
AU  - Todosijević, Marina
AU  - Mandić, Boris
AU  - Gođevac, Dejan
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5118
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary data for the article: Ivanović, S.; Mandrone, M.; Simić, K.; Ristić, M.; Todosijević, M.; Mandić, B.; Gođevac, D. GC-MS-Based Metabolomics for the Detection of Adulteration in Oregano Samples. Journal of the Serbian Chemical Society 2021, 86 (12), 1195–1203. https://doi.org/10.2298/JSC210809089I.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5118
ER  - 

@misc{
author = "Ivanović, Stefan and Mandrone, Manuela and Simić, Katarina and Ristić, Mirjana and Todosijević, Marina and Mandić, Boris and Gođevac, Dejan",
year = "2021",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary data for the article: Ivanović, S.; Mandrone, M.; Simić, K.; Ristić, M.; Todosijević, M.; Mandić, B.; Gođevac, D. GC-MS-Based Metabolomics for the Detection of Adulteration in Oregano Samples. Journal of the Serbian Chemical Society 2021, 86 (12), 1195–1203. https://doi.org/10.2298/JSC210809089I.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5118"
}

Ivanović, S., Mandrone, M., Simić, K., Ristić, M., Todosijević, M., Mandić, B.,& Gođevac, D.. (2021). Supplementary data for the article: Ivanović, S.; Mandrone, M.; Simić, K.; Ristić, M.; Todosijević, M.; Mandić, B.; Gođevac, D. GC-MS-Based Metabolomics for the Detection of Adulteration in Oregano Samples. Journal of the Serbian Chemical Society 2021, 86 (12), 1195–1203. https://doi.org/10.2298/JSC210809089I.. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society..
https://hdl.handle.net/21.15107/rcub_cherry_5118

Ivanović S, Mandrone M, Simić K, Ristić M, Todosijević M, Mandić B, Gođevac D. Supplementary data for the article: Ivanović, S.; Mandrone, M.; Simić, K.; Ristić, M.; Todosijević, M.; Mandić, B.; Gođevac, D. GC-MS-Based Metabolomics for the Detection of Adulteration in Oregano Samples. Journal of the Serbian Chemical Society 2021, 86 (12), 1195–1203. https://doi.org/10.2298/JSC210809089I.. in Journal of the Serbian Chemical Society. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_5118 .

Ivanović, Stefan, Mandrone, Manuela, Simić, Katarina, Ristić, Mirjana, Todosijević, Marina, Mandić, Boris, Gođevac, Dejan, "Supplementary data for the article: Ivanović, S.; Mandrone, M.; Simić, K.; Ristić, M.; Todosijević, M.; Mandić, B.; Gođevac, D. GC-MS-Based Metabolomics for the Detection of Adulteration in Oregano Samples. Journal of the Serbian Chemical Society 2021, 86 (12), 1195–1203. https://doi.org/10.2298/JSC210809089I." in Journal of the Serbian Chemical Society (2021),
https://hdl.handle.net/21.15107/rcub_cherry_5118 .

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Tešević, Vele
AU  - Vujisić, Ljubodrag V.
AU  - Ljekočević, Marko
AU  - Gođevac, Dejan
PY  - 2021
UR  - https://www.mdpi.com/1420-3049/26/5/1391
AB  - Plum brandy (Slivovitz (en); Šljivovica(sr)) is an alcoholic beverage that is increasingly consumed all over the world. Its quality assessment has become of great importance. In our study, the main volatiles and aroma compounds of 108 non-aged plum brandies originating from three plum cultivars, and fermented using different conditions, were investigated. The chemical profiles obtained after two-step GC-FID-MS analysis were subjected to multivariate data analysis to reveal the peculiarity in different cultivars and fermentation process. Correlation of plum brandy chemical composition with its sensory characteristics obtained by expert commission was also performed. The utilization of PCA and OPLS-DA multivariate analysis methods on GC-FID-MS, enabled discrimination of brandy samples based on differences in plum varieties, pH of plum mash, and addition of selected yeast or enzymes during fermentation. The correlation of brandy GC-FID-MS profiles with their sensory properties was achieved by OPLS multivariate analysis. Proposed workflow confirmed the potential of GC-FID-MS in combination with multivariate data analysis that can be applied to assess the plum brandy quality.
PB  - MDPI
T2  - Molecules
T2  - Molecules
T1  - GC-FID-MS based metabolomics to access plum brandy quality
VL  - 26
IS  - 5
SP  - 1391
DO  - 10.3390/molecules26051391
ER  - 

@article{
author = "Ivanović, Stefan and Simić, Katarina and Tešević, Vele and Vujisić, Ljubodrag V. and Ljekočević, Marko and Gođevac, Dejan",
year = "2021",
abstract = "Plum brandy (Slivovitz (en); Šljivovica(sr)) is an alcoholic beverage that is increasingly consumed all over the world. Its quality assessment has become of great importance. In our study, the main volatiles and aroma compounds of 108 non-aged plum brandies originating from three plum cultivars, and fermented using different conditions, were investigated. The chemical profiles obtained after two-step GC-FID-MS analysis were subjected to multivariate data analysis to reveal the peculiarity in different cultivars and fermentation process. Correlation of plum brandy chemical composition with its sensory characteristics obtained by expert commission was also performed. The utilization of PCA and OPLS-DA multivariate analysis methods on GC-FID-MS, enabled discrimination of brandy samples based on differences in plum varieties, pH of plum mash, and addition of selected yeast or enzymes during fermentation. The correlation of brandy GC-FID-MS profiles with their sensory properties was achieved by OPLS multivariate analysis. Proposed workflow confirmed the potential of GC-FID-MS in combination with multivariate data analysis that can be applied to assess the plum brandy quality.",
publisher = "MDPI",
journal = "Molecules, Molecules",
title = "GC-FID-MS based metabolomics to access plum brandy quality",
volume = "26",
number = "5",
pages = "1391",
doi = "10.3390/molecules26051391"
}

Ivanović, S., Simić, K., Tešević, V., Vujisić, L. V., Ljekočević, M.,& Gođevac, D.. (2021). GC-FID-MS based metabolomics to access plum brandy quality. in Molecules
MDPI., 26(5), 1391.
https://doi.org/10.3390/molecules26051391

Ivanović S, Simić K, Tešević V, Vujisić LV, Ljekočević M, Gođevac D. GC-FID-MS based metabolomics to access plum brandy quality. in Molecules. 2021;26(5):1391.
doi:10.3390/molecules26051391 .

Ivanović, Stefan, Simić, Katarina, Tešević, Vele, Vujisić, Ljubodrag V., Ljekočević, Marko, Gođevac, Dejan, "GC-FID-MS based metabolomics to access plum brandy quality" in Molecules, 26, no. 5 (2021):1391,
https://doi.org/10.3390/molecules26051391 . .

TY  - DATA
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Tešević, Vele
AU  - Vujisić, Ljubodrag V.
AU  - Ljekočević, Marko
AU  - Gođevac, Dejan
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4513
PB  - MDPI
T2  - Molecules
T1  - Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4514
ER  - 

@misc{
author = "Ivanović, Stefan and Simić, Katarina and Tešević, Vele and Vujisić, Ljubodrag V. and Ljekočević, Marko and Gođevac, Dejan",
year = "2021",
publisher = "MDPI",
journal = "Molecules",
title = "Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4514"
}

Ivanović, S., Simić, K., Tešević, V., Vujisić, L. V., Ljekočević, M.,& Gođevac, D.. (2021). Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.. in Molecules
MDPI..
https://hdl.handle.net/21.15107/rcub_cherry_4514

Ivanović S, Simić K, Tešević V, Vujisić LV, Ljekočević M, Gođevac D. Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.. in Molecules. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4514 .

Ivanović, Stefan, Simić, Katarina, Tešević, Vele, Vujisić, Ljubodrag V., Ljekočević, Marko, Gođevac, Dejan, "Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391." in Molecules (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4514 .

TY  - DATA
AU  - Novaković, Miroslav M.
AU  - Ilić-Tomić, Tatjana
AU  - Tešević, Vele
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Simić, Stefan
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4078
PB  - Royal Society of Chemistry
T2  - New Journal of Chemistry
T1  - Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4078
ER  - 

@misc{
author = "Novaković, Miroslav M. and Ilić-Tomić, Tatjana and Tešević, Vele and Simić, Katarina and Ivanović, Stefan and Simić, Stefan and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2020",
publisher = "Royal Society of Chemistry",
journal = "New Journal of Chemistry",
title = "Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4078"
}

Novaković, M. M., Ilić-Tomić, T., Tešević, V., Simić, K., Ivanović, S., Simić, S., Opsenica, I.,& Nikodinović-Runić, J.. (2020). Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G. in New Journal of Chemistry
Royal Society of Chemistry..
https://hdl.handle.net/21.15107/rcub_cherry_4078

Novaković MM, Ilić-Tomić T, Tešević V, Simić K, Ivanović S, Simić S, Opsenica I, Nikodinović-Runić J. Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G. in New Journal of Chemistry. 2020;.
https://hdl.handle.net/21.15107/rcub_cherry_4078 .

Novaković, Miroslav M., Ilić-Tomić, Tatjana, Tešević, Vele, Simić, Katarina, Ivanović, Stefan, Simić, Stefan, Opsenica, Igor, Nikodinović-Runić, Jasmina, "Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G" in New Journal of Chemistry (2020),
https://hdl.handle.net/21.15107/rcub_cherry_4078 .

TY  - JOUR
AU  - Novaković, Miroslav M.
AU  - Ilić-Tomić, Tatjana
AU  - Tešević, Vele
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Simić, Stefan
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4052
AB  - The Trametes versicolor laccase catalyzed oxidation of chalcone butein afforded four dimers of aurone sulfuretin (i.e. two regioisomeric pairs of diasteromers, 1-4) as the major products. The formation of the dimers was explained by a two step process involving the initial cyclization of butein into aurone sulfuretin, followed by the combination of two molecules of sulfuretin. The coupling process occurred between the 2,10-double bond of one molecule of sulfuretin and the (3′,4′) catechol group of the other to yield a dimeric structure. This was confirmed by the experiment involving the laccase catalyzed oxidation of sulfuretin yielding the same dimeric bisaurones. Compounds 1, 3 and 4, were isolated using semipreparative HPLC and characterized by the detailed analysis of the NMR, MS, IR, and UV-vis data. The structure of compound 2, isolated as a mixture containing ca. 25% of compound 1, was proposed by the comparison of 1H NMR data to compound 1 and by using LC-ESIMS analysis. The starting chalcone butein and the products of the biocatalytic transformation, aurone sulfuretin and sulfuretin dimers 1, 3 and 4, were evaluated for their cytotoxic and antioxidative properties in vitro using a healthy human fibroblast (MRC5) cell line. The biotransformation products showed lower cytotoxicity but higher antioxidative properties. The C. coggygria bark methanol extract rich in butein and sulfuretin was also biotransformed by laccase. The transformed extract exhibited significantly improved antioxidative activities.
PB  - Royal Society of Chemistry
T2  - New Journal of Chemistry
T1  - Bisaurones – enzymatic production and biological evaluation
VL  - 44
IS  - 23
SP  - 9647
EP  - 9655
DO  - 10.1039/d0nj00758g
ER  - 

@article{
author = "Novaković, Miroslav M. and Ilić-Tomić, Tatjana and Tešević, Vele and Simić, Katarina and Ivanović, Stefan and Simić, Stefan and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2020",
abstract = "The Trametes versicolor laccase catalyzed oxidation of chalcone butein afforded four dimers of aurone sulfuretin (i.e. two regioisomeric pairs of diasteromers, 1-4) as the major products. The formation of the dimers was explained by a two step process involving the initial cyclization of butein into aurone sulfuretin, followed by the combination of two molecules of sulfuretin. The coupling process occurred between the 2,10-double bond of one molecule of sulfuretin and the (3′,4′) catechol group of the other to yield a dimeric structure. This was confirmed by the experiment involving the laccase catalyzed oxidation of sulfuretin yielding the same dimeric bisaurones. Compounds 1, 3 and 4, were isolated using semipreparative HPLC and characterized by the detailed analysis of the NMR, MS, IR, and UV-vis data. The structure of compound 2, isolated as a mixture containing ca. 25% of compound 1, was proposed by the comparison of 1H NMR data to compound 1 and by using LC-ESIMS analysis. The starting chalcone butein and the products of the biocatalytic transformation, aurone sulfuretin and sulfuretin dimers 1, 3 and 4, were evaluated for their cytotoxic and antioxidative properties in vitro using a healthy human fibroblast (MRC5) cell line. The biotransformation products showed lower cytotoxicity but higher antioxidative properties. The C. coggygria bark methanol extract rich in butein and sulfuretin was also biotransformed by laccase. The transformed extract exhibited significantly improved antioxidative activities.",
publisher = "Royal Society of Chemistry",
journal = "New Journal of Chemistry",
title = "Bisaurones – enzymatic production and biological evaluation",
volume = "44",
number = "23",
pages = "9647-9655",
doi = "10.1039/d0nj00758g"
}

Novaković, M. M., Ilić-Tomić, T., Tešević, V., Simić, K., Ivanović, S., Simić, S., Opsenica, I.,& Nikodinović-Runić, J.. (2020). Bisaurones – enzymatic production and biological evaluation. in New Journal of Chemistry
Royal Society of Chemistry., 44(23), 9647-9655.
https://doi.org/10.1039/d0nj00758g

Novaković MM, Ilić-Tomić T, Tešević V, Simić K, Ivanović S, Simić S, Opsenica I, Nikodinović-Runić J. Bisaurones – enzymatic production and biological evaluation. in New Journal of Chemistry. 2020;44(23):9647-9655.
doi:10.1039/d0nj00758g .

Novaković, Miroslav M., Ilić-Tomić, Tatjana, Tešević, Vele, Simić, Katarina, Ivanović, Stefan, Simić, Stefan, Opsenica, Igor, Nikodinović-Runić, Jasmina, "Bisaurones – enzymatic production and biological evaluation" in New Journal of Chemistry, 44, no. 23 (2020):9647-9655,
https://doi.org/10.1039/d0nj00758g . .