TY  - JOUR
AU  - Sofrenić, Ivana
AU  - Anđelković, Boban
AU  - Gođevac, Dejan
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Ljujić, Jovana
AU  - Tešević, Vele
AU  - Milosavljević, Slobodan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5655
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  - Switzerland : Multidisciplinary Digital Publishing Institute (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 and Gođevac, Dejan and Ivanović, Stefan and Simić, Katarina and Ljujić, Jovana and Tešević, Vele and Milosavljević, Slobodan",
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 = "Switzerland : Multidisciplinary Digital Publishing Institute (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., Gođevac, D., Ivanović, S., Simić, K., Ljujić, J., Tešević, V.,& Milosavljević, S.. (2023). Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia. in Plants
Switzerland : Multidisciplinary Digital Publishing Institute (MDPI)., 12(2), 262.
https://doi.org/10.3390/plants12020262

Sofrenić I, Anđelković B, Gođevac D, Ivanović S, Simić K, Ljujić J, Tešević V, Milosavljević S. 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, Gođevac, Dejan, Ivanović, Stefan, Simić, Katarina, Ljujić, Jovana, Tešević, Vele, Milosavljević, Slobodan, "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  - Ivanović, Stefan
AU  - Gođevac, Dejan
AU  - Ristivojević, Petar
AU  - Zdunić, Gordana
AU  - Stojanović, Danilo
AU  - Šavikin, Katarina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5648
AB  - Introduction: Chokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification. Methods: A simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis. Results: Principal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants. Conclusion: The obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.
PB  - Elsevier GmbH
T2  - Journal of Herbal Medicine
T1  - HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration
VL  - 37
SP  - 100618
DO  - 10.1016/j.hermed.2022.100618
ER  - 

@article{
author = "Ivanović, Stefan and Gođevac, Dejan and Ristivojević, Petar and Zdunić, Gordana and Stojanović, Danilo and Šavikin, Katarina",
year = "2023",
abstract = "Introduction: Chokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification. Methods: A simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis. Results: Principal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants. Conclusion: The obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.",
publisher = "Elsevier GmbH",
journal = "Journal of Herbal Medicine",
title = "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration",
volume = "37",
pages = "100618",
doi = "10.1016/j.hermed.2022.100618"
}

Ivanović, S., Gođevac, D., Ristivojević, P., Zdunić, G., Stojanović, D.,& Šavikin, K.. (2023). HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine
Elsevier GmbH., 37, 100618.
https://doi.org/10.1016/j.hermed.2022.100618

Ivanović S, Gođevac D, Ristivojević P, Zdunić G, Stojanović D, Šavikin K. HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine. 2023;37:100618.
doi:10.1016/j.hermed.2022.100618 .

Ivanović, Stefan, Gođevac, Dejan, Ristivojević, Petar, Zdunić, Gordana, Stojanović, Danilo, Šavikin, Katarina, "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration" in Journal of Herbal Medicine, 37 (2023):100618,
https://doi.org/10.1016/j.hermed.2022.100618 . .

TY  - CONF
AU  - Avramović, Nataša
AU  - Simić, Katarina
AU  - Miladinović, Zoran
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7392
AB  - Schizophrenia (SCZ) is a brain disease leading to significant functional impairments and premature death, and it affects 20 million people worldwide. Due to the complexity of this disease including different genetic and environmental factors, there is a lack in understanding pathophysiology and diagnosis of schizophrenia. In order to overcome existing gaps, the establishment of a universal set of SCZ biomarkers has a crucial role. Metabonomic study of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39) by 1H-NMR analyses associated with chemometrics, provided the identification of 26 metabolites/biomarkers for this disorder. The biomarker set including aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols was established for the first-time in SCZ serum samples of Serbian patients by 1H-NMR experiments. The other 22 identified metabolites are in agreement with the previously confirmed NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. The same 13 metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) were established in all SCZ samples from three countries of different ethnicity and geographical origins (Serbia, Brazil and China). These results emphasize the crucial role in the possibility of their application as biomarkers for diagnosis of SCZ, reliable monitoring of treatment response and clinical outcomes.
PB  - International Association of Physical Chemists
C3  - Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia
T1  - 1H-NMR metabonomic view on schizophrenia
SP  - 68
EP  - 68
UR  - https://hdl.handle.net/21.15107/rcub_cer_7392
ER  - 

@conference{
author = "Avramović, Nataša and Simić, Katarina and Miladinović, Zoran and Todorović, Nina and Trifunović, Snežana and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Schizophrenia (SCZ) is a brain disease leading to significant functional impairments and premature death, and it affects 20 million people worldwide. Due to the complexity of this disease including different genetic and environmental factors, there is a lack in understanding pathophysiology and diagnosis of schizophrenia. In order to overcome existing gaps, the establishment of a universal set of SCZ biomarkers has a crucial role. Metabonomic study of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39) by 1H-NMR analyses associated with chemometrics, provided the identification of 26 metabolites/biomarkers for this disorder. The biomarker set including aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols was established for the first-time in SCZ serum samples of Serbian patients by 1H-NMR experiments. The other 22 identified metabolites are in agreement with the previously confirmed NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. The same 13 metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) were established in all SCZ samples from three countries of different ethnicity and geographical origins (Serbia, Brazil and China). These results emphasize the crucial role in the possibility of their application as biomarkers for diagnosis of SCZ, reliable monitoring of treatment response and clinical outcomes.",
publisher = "International Association of Physical Chemists",
journal = "Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia",
title = "1H-NMR metabonomic view on schizophrenia",
pages = "68-68",
url = "https://hdl.handle.net/21.15107/rcub_cer_7392"
}

Avramović, N., Simić, K., Miladinović, Z., Todorović, N., Trifunović, S., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L., Tešević, V., Tasić, L.,& Mandić, B.. (2023). 1H-NMR metabonomic view on schizophrenia. in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia
International Association of Physical Chemists., 68-68.
https://hdl.handle.net/21.15107/rcub_cer_7392

Avramović N, Simić K, Miladinović Z, Todorović N, Trifunović S, Gavrilović A, Jovanović S, Gođevac D, Vujisić L, Tešević V, Tasić L, Mandić B. 1H-NMR metabonomic view on schizophrenia. in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia. 2023;:68-68.
https://hdl.handle.net/21.15107/rcub_cer_7392 .

Avramović, Nataša, Simić, Katarina, Miladinović, Zoran, Todorović, Nina, Trifunović, Snežana, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag, Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "1H-NMR metabonomic view on schizophrenia" in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia (2023):68-68,
https://hdl.handle.net/21.15107/rcub_cer_7392 .

TY  - CONF
AU  - Avramović, Nataša
AU  - Simić, Katarina
AU  - Miladinović, Zoran
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7390
AB  - Bipolar disorder (BD) is a mental disorder that causes alteration of mood states including mania, depression, and euthymia and it is ranked as one of the leading causes of disability and premature mortality, with a prevalence of 60 million people worldwide. BD is a heterogenous illness including diverse genetic, environmental, and biochemical factors and its pathophysiology is still largely unknown. Diagnosis of BD exclusively depends on the subjective recognition of symptoms without any objective methods such as a clinical test of biomarker identification, instigating misdiagnosis, inadequate treatments and deficient clinical outcomes. 1H-NMR-based serum metabolomics of Serbian patients with BD (33) and healthy controls (39) contributed to identification of 22 metabolites for this disease. Threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose make a unique biomarker set, and were confirmed for the first time in BD Serbian serum samples. Additional six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in accordance with the previously determined NMR-based sets of serum BD biomarkers in Brazilian and/or Chinese patient samples, while nine identified metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) are the same established biomarkers in three different ethnic and geographic origins (Serbia, Brazil, and China). The same confirmed metabolites are an indicator of the right path in discovery of the universal set of BD biomarkers by NMR.
PB  - International Association of Physical Chemists
C3  - Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia
T1  - 1H-NMR-based serum metabolomics of bipolar disorder patients
SP  - 67
EP  - 67
UR  - https://hdl.handle.net/21.15107/rcub_cer_7390
ER  - 

@conference{
author = "Avramović, Nataša and Simić, Katarina and Miladinović, Zoran and Todorović, Nina and Trifunović, Snežana and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Bipolar disorder (BD) is a mental disorder that causes alteration of mood states including mania, depression, and euthymia and it is ranked as one of the leading causes of disability and premature mortality, with a prevalence of 60 million people worldwide. BD is a heterogenous illness including diverse genetic, environmental, and biochemical factors and its pathophysiology is still largely unknown. Diagnosis of BD exclusively depends on the subjective recognition of symptoms without any objective methods such as a clinical test of biomarker identification, instigating misdiagnosis, inadequate treatments and deficient clinical outcomes. 1H-NMR-based serum metabolomics of Serbian patients with BD (33) and healthy controls (39) contributed to identification of 22 metabolites for this disease. Threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose make a unique biomarker set, and were confirmed for the first time in BD Serbian serum samples. Additional six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in accordance with the previously determined NMR-based sets of serum BD biomarkers in Brazilian and/or Chinese patient samples, while nine identified metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) are the same established biomarkers in three different ethnic and geographic origins (Serbia, Brazil, and China). The same confirmed metabolites are an indicator of the right path in discovery of the universal set of BD biomarkers by NMR.",
publisher = "International Association of Physical Chemists",
journal = "Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia",
title = "1H-NMR-based serum metabolomics of bipolar disorder patients",
pages = "67-67",
url = "https://hdl.handle.net/21.15107/rcub_cer_7390"
}

Avramović, N., Simić, K., Miladinović, Z., Todorović, N., Trifunović, S., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L., Tešević, V., Tasić, L.,& Mandić, B.. (2023). 1H-NMR-based serum metabolomics of bipolar disorder patients. in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia
International Association of Physical Chemists., 67-67.
https://hdl.handle.net/21.15107/rcub_cer_7390

Avramović N, Simić K, Miladinović Z, Todorović N, Trifunović S, Gavrilović A, Jovanović S, Gođevac D, Vujisić L, Tešević V, Tasić L, Mandić B. 1H-NMR-based serum metabolomics of bipolar disorder patients. in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia. 2023;:67-67.
https://hdl.handle.net/21.15107/rcub_cer_7390 .

Avramović, Nataša, Simić, Katarina, Miladinović, Zoran, Todorović, Nina, Trifunović, Snežana, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag, Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "1H-NMR-based serum metabolomics of bipolar disorder patients" in Book of Abstracts, 10th IAPC Meeting Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK, September 4-6, 2023, Belgrade, Serbia (2023):67-67,
https://hdl.handle.net/21.15107/rcub_cer_7390 .

TY  - CONF
AU  - Avramović, Nataša
AU  - Simić, Katarina
AU  - Miladinović, Zoran
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7393
AB  - Schizophrenia (SCZ) is a brain disease leading to significant functional impairments and premature death, and it affects 20 million people worldwide. Due to the complexity of this disease including different genetic and environmental factors, there is a lack in understanding pathophysiology and diagnosis of schizophrenia. In order to overcome existing gaps, the establishment of a universal set of SCZ biomarkers has a crucial role. Metabonomic study of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39) by 1H-NMR analyses associated with chemometrics, provided the identification of 26 metabolites/biomarkers for this disorder. The biomarker set including aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols was established for the first-time in SCZ serum samples of Serbian patients by 1H-NMR experiments. The other 22 identified metabolites are in agreement with the previously confirmed NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. The same 13 metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) were established in all SCZ samples from three countries of different ethnicity and geographical origins (Serbia, Brazil and China). These results emphasize the crucial role in the possibility of their application as biomarkers for diagnosis of SCZ, reliable monitoring of treatment response and clinical outcomes.
T1  - Poster presentation: 1H-NMR metabonomic view on schizophrenia
IS  - P27
UR  - https://hdl.handle.net/21.15107/rcub_cer_7393
ER  - 

@conference{
author = "Avramović, Nataša and Simić, Katarina and Miladinović, Zoran and Todorović, Nina and Trifunović, Snežana and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Schizophrenia (SCZ) is a brain disease leading to significant functional impairments and premature death, and it affects 20 million people worldwide. Due to the complexity of this disease including different genetic and environmental factors, there is a lack in understanding pathophysiology and diagnosis of schizophrenia. In order to overcome existing gaps, the establishment of a universal set of SCZ biomarkers has a crucial role. Metabonomic study of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39) by 1H-NMR analyses associated with chemometrics, provided the identification of 26 metabolites/biomarkers for this disorder. The biomarker set including aspartate/aspartic acid, lysine, 2-hydroxybutyric acid, and acylglycerols was established for the first-time in SCZ serum samples of Serbian patients by 1H-NMR experiments. The other 22 identified metabolites are in agreement with the previously confirmed NMR-based serum biomarker sets of Brazilian and/or Chinese patient samples. The same 13 metabolites (lactate/lactic acid, threonine, leucine, isoleucine, valine, glutamine, asparagine, alanine, gamma-aminobutyric acid, choline, glucose, glycine and tyrosine) were established in all SCZ samples from three countries of different ethnicity and geographical origins (Serbia, Brazil and China). These results emphasize the crucial role in the possibility of their application as biomarkers for diagnosis of SCZ, reliable monitoring of treatment response and clinical outcomes.",
title = "Poster presentation: 1H-NMR metabonomic view on schizophrenia",
number = "P27",
url = "https://hdl.handle.net/21.15107/rcub_cer_7393"
}

Avramović, N., Simić, K., Miladinović, Z., Todorović, N., Trifunović, S., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L., Tešević, V., Tasić, L.,& Mandić, B.. (2023). Poster presentation: 1H-NMR metabonomic view on schizophrenia. (P27).
https://hdl.handle.net/21.15107/rcub_cer_7393

Avramović N, Simić K, Miladinović Z, Todorović N, Trifunović S, Gavrilović A, Jovanović S, Gođevac D, Vujisić L, Tešević V, Tasić L, Mandić B. Poster presentation: 1H-NMR metabonomic view on schizophrenia. 2023;(P27).
https://hdl.handle.net/21.15107/rcub_cer_7393 .

Avramović, Nataša, Simić, Katarina, Miladinović, Zoran, Todorović, Nina, Trifunović, Snežana, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag, Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Poster presentation: 1H-NMR metabonomic view on schizophrenia", no. P27 (2023),
https://hdl.handle.net/21.15107/rcub_cer_7393 .

TY  - CONF
AU  - Avramović, Nataša
AU  - Simić, Katarina
AU  - Miladinović, Zoran
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7391
AB  - Bipolar disorder (BD) is a mental disorder that causes alteration of mood states including mania, depression, and euthymia and it is ranked as one of the leading causes of disability and premature mortality, with a prevalence of 60 million people worldwide. BD is a heterogenous illness including diverse genetic, environmental, and biochemical factors and its pathophysiology is still largely unknown. Diagnosis of BD exclusively depends on the subjective recognition of symptoms without any objective methods such as a clinical test of biomarker identification, instigating misdiagnosis, inadequate treatments and deficient clinical outcomes. 1H-NMR-based serum metabolomics of Serbian patients with BD (33) and healthy controls (39) contributed to identification of 22 metabolites for this disease. Threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose make a unique biomarker set, and were confirmed for the first time in BD Serbian serum samples. Additional six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in accordance with the previously determined NMR-based sets of serum BD biomarkers in Brazilian and/or Chinese patient samples, while nine identified metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) are the same established biomarkers in three different ethnic and geographic origins (Serbia, Brazil, and China). The same confirmed metabolites are an indicator of the right path in discovery of the universal set of BD biomarkers by NMR.
T1  - Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients
IS  - P26
UR  - https://hdl.handle.net/21.15107/rcub_cer_7391
ER  - 

@conference{
author = "Avramović, Nataša and Simić, Katarina and Miladinović, Zoran and Todorović, Nina and Trifunović, Snežana and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag and Tešević, Vele and Tasić, Ljubica and Mandić, Boris",
year = "2023",
abstract = "Bipolar disorder (BD) is a mental disorder that causes alteration of mood states including mania, depression, and euthymia and it is ranked as one of the leading causes of disability and premature mortality, with a prevalence of 60 million people worldwide. BD is a heterogenous illness including diverse genetic, environmental, and biochemical factors and its pathophysiology is still largely unknown. Diagnosis of BD exclusively depends on the subjective recognition of symptoms without any objective methods such as a clinical test of biomarker identification, instigating misdiagnosis, inadequate treatments and deficient clinical outcomes. 1H-NMR-based serum metabolomics of Serbian patients with BD (33) and healthy controls (39) contributed to identification of 22 metabolites for this disease. Threonine, aspartate, gamma-aminobutyric acid, 2-hydroxybutyric acid, serine, and mannose make a unique biomarker set, and were confirmed for the first time in BD Serbian serum samples. Additional six identified metabolites (3-hydroxybutyric acid, arginine, lysine, tyrosine, phenylalanine, and glycerol) are in accordance with the previously determined NMR-based sets of serum BD biomarkers in Brazilian and/or Chinese patient samples, while nine identified metabolites (lactate, alanine, valine, leucine, isoleucine, glutamine, glutamate, glucose, and choline) are the same established biomarkers in three different ethnic and geographic origins (Serbia, Brazil, and China). The same confirmed metabolites are an indicator of the right path in discovery of the universal set of BD biomarkers by NMR.",
title = "Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients",
number = "P26",
url = "https://hdl.handle.net/21.15107/rcub_cer_7391"
}

Avramović, N., Simić, K., Miladinović, Z., Todorović, N., Trifunović, S., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L., Tešević, V., Tasić, L.,& Mandić, B.. (2023). Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients. (P26).
https://hdl.handle.net/21.15107/rcub_cer_7391

Avramović N, Simić K, Miladinović Z, Todorović N, Trifunović S, Gavrilović A, Jovanović S, Gođevac D, Vujisić L, Tešević V, Tasić L, Mandić B. Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients. 2023;(P26).
https://hdl.handle.net/21.15107/rcub_cer_7391 .

Avramović, Nataša, Simić, Katarina, Miladinović, Zoran, Todorović, Nina, Trifunović, Snežana, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag, Tešević, Vele, Tasić, Ljubica, Mandić, Boris, "Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients", no. P26 (2023),
https://hdl.handle.net/21.15107/rcub_cer_7391 .

TY  - JOUR
AU  - Živković, Andrej
AU  - Gođevac, Dejan
AU  - Cigić, Blaž
AU  - Polak, Tomaž
AU  - Požrl, Tomaž
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7221
AB  - first_pagesettingsOrder Article Reprints Open AccessArticle Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta) by Andrej Živković 1ORCID,Dejan Gođevac 2ORCID,Blaž Cigić 1ORCID,Tomaž Polak 1ORCID andTomaž Požrl 1,*ORCID 1 Department of Food Science and Technology, Biotechnical Faculty, University of Ljubljana, SI-1111 Ljubljana, Slovenia 2 Institute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, 11000 Belgrade, Serbia * Author to whom correspondence should be addressed. Foods 2023, 12(9), 1769; https://doi.org/10.3390/foods12091769 Submission received: 31 March 2023 / Revised: 13 April 2023 / Accepted: 23 April 2023 / Published: 24 April 2023 (This article belongs to the Special Issue Contribution of Minor Cereals to Sustainable Diets and Agro-Food Biodiversity) Downloadkeyboard_arrow_down Browse Figures Review Reports Versions Notes Abstract In this study, we investigated the effects of germination on the secondary metabolite composition in spelt grains. Germination significantly increased the content of various metabolites in free and bound forms. Benzoxazinoids were the most important compounds in the free fraction of the 96 h germinated grains (MBOA content as the predominant compound was 277.61 ± 15.29 µg/g DW). The majority of phenolic acids were present in the bound fraction, with trans-ferulic acid as the main component, reaching 753.27 ± 95.87 µg/g DW. The often neglected cis-isomers of phenolic acids accounted for about 20% of the total phenolic acids. High levels of apigenin di-C-glycosides were found in spelt grains, and the schaftoside content was most affected by germination, increasing threefold. The accumulation of secondary metabolites significantly increased the antioxidant activity of germinated spelt. According to the results of this study, the content of most bioactive compounds was highest in spelt grains after 96 h of germination. These data suggest that germinated spelt could potentially be valuable for the production of functional foods.
PB  - MDPI
T2  - Foods
T1  - Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta)
VL  - 12
IS  - 9
SP  - 1769
DO  - 10.3390/foods12091769
ER  - 

@article{
author = "Živković, Andrej and Gođevac, Dejan and Cigić, Blaž and Polak, Tomaž and Požrl, Tomaž",
year = "2023",
abstract = "first_pagesettingsOrder Article Reprints Open AccessArticle Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta) by Andrej Živković 1ORCID,Dejan Gođevac 2ORCID,Blaž Cigić 1ORCID,Tomaž Polak 1ORCID andTomaž Požrl 1,*ORCID 1 Department of Food Science and Technology, Biotechnical Faculty, University of Ljubljana, SI-1111 Ljubljana, Slovenia 2 Institute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, 11000 Belgrade, Serbia * Author to whom correspondence should be addressed. Foods 2023, 12(9), 1769; https://doi.org/10.3390/foods12091769 Submission received: 31 March 2023 / Revised: 13 April 2023 / Accepted: 23 April 2023 / Published: 24 April 2023 (This article belongs to the Special Issue Contribution of Minor Cereals to Sustainable Diets and Agro-Food Biodiversity) Downloadkeyboard_arrow_down Browse Figures Review Reports Versions Notes Abstract In this study, we investigated the effects of germination on the secondary metabolite composition in spelt grains. Germination significantly increased the content of various metabolites in free and bound forms. Benzoxazinoids were the most important compounds in the free fraction of the 96 h germinated grains (MBOA content as the predominant compound was 277.61 ± 15.29 µg/g DW). The majority of phenolic acids were present in the bound fraction, with trans-ferulic acid as the main component, reaching 753.27 ± 95.87 µg/g DW. The often neglected cis-isomers of phenolic acids accounted for about 20% of the total phenolic acids. High levels of apigenin di-C-glycosides were found in spelt grains, and the schaftoside content was most affected by germination, increasing threefold. The accumulation of secondary metabolites significantly increased the antioxidant activity of germinated spelt. According to the results of this study, the content of most bioactive compounds was highest in spelt grains after 96 h of germination. These data suggest that germinated spelt could potentially be valuable for the production of functional foods.",
publisher = "MDPI",
journal = "Foods",
title = "Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta)",
volume = "12",
number = "9",
pages = "1769",
doi = "10.3390/foods12091769"
}

Živković, A., Gođevac, D., Cigić, B., Polak, T.,& Požrl, T.. (2023). Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta). in Foods
MDPI., 12(9), 1769.
https://doi.org/10.3390/foods12091769

Živković A, Gođevac D, Cigić B, Polak T, Požrl T. Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta). in Foods. 2023;12(9):1769.
doi:10.3390/foods12091769 .

Živković, Andrej, Gođevac, Dejan, Cigić, Blaž, Polak, Tomaž, Požrl, Tomaž, "Identification and Quantification of Selected Benzoxazinoids and Phenolics in Germinated Spelt (Triticum spelta)" in Foods, 12, no. 9 (2023):1769,
https://doi.org/10.3390/foods12091769 . .

TY  - JOUR
AU  - Ortiz, Sergio
AU  - Šavikin, Katarina
AU  - Massicot, France
AU  - Olivier, Elodie
AU  - Dutot, Melody
AU  - Rat, Patrice
AU  - Deguin, Brigitte
AU  - Gođevac, Dejan
AU  - Menković, Nebojša
AU  - Živković, Jelena
AU  - Zdunić, Gordana
AU  - Boutefnouchet, Sabrina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7218
AB  - Medicinal plants used in European folk medicine attached to Lamiales, Gentianales or Asterales orders are used to treat inflammatory disorders. Many targets have been identified but to date, implication of purinergic receptor P2X7 activation has not yet been investigated. We managed to evaluate the protective effect on P2X7 activation by plant extracts used as anti-inflammatory in European folk medicine by the YO-PRO-1 uptake dye in vitro bioassay. Results revealed that among our selected plants, species from Scrophularia and Plantago genus were able to decrease significantly P2X7 activation (>50 % at 0.1 and 1 μg/mL). UPLC/MS, dereplication and metabolomic analysis of Scrophularia extracts, allowed us to identify the cinnamoyl-iridoid harpagoside as putative inhibitor of P2X7 activation. These results open a new research field regarding the anti-inflammatory mechanism of cinnamoyl-iridoids bearing plants, which may involve the P2X7 receptor.
PB  - Wiley
T2  - Chemistry & Biodiversity
T1  - P2X7‐Receptor Pathway Involvement in the Anti‐Inflammatory Activity of Medicinal Plants
VL  - 20
IS  - 8
DO  - 10.1002/cbdv.202300427
ER  - 

@article{
author = "Ortiz, Sergio and Šavikin, Katarina and Massicot, France and Olivier, Elodie and Dutot, Melody and Rat, Patrice and Deguin, Brigitte and Gođevac, Dejan and Menković, Nebojša and Živković, Jelena and Zdunić, Gordana and Boutefnouchet, Sabrina",
year = "2023",
abstract = "Medicinal plants used in European folk medicine attached to Lamiales, Gentianales or Asterales orders are used to treat inflammatory disorders. Many targets have been identified but to date, implication of purinergic receptor P2X7 activation has not yet been investigated. We managed to evaluate the protective effect on P2X7 activation by plant extracts used as anti-inflammatory in European folk medicine by the YO-PRO-1 uptake dye in vitro bioassay. Results revealed that among our selected plants, species from Scrophularia and Plantago genus were able to decrease significantly P2X7 activation (>50 % at 0.1 and 1 μg/mL). UPLC/MS, dereplication and metabolomic analysis of Scrophularia extracts, allowed us to identify the cinnamoyl-iridoid harpagoside as putative inhibitor of P2X7 activation. These results open a new research field regarding the anti-inflammatory mechanism of cinnamoyl-iridoids bearing plants, which may involve the P2X7 receptor.",
publisher = "Wiley",
journal = "Chemistry & Biodiversity",
title = "P2X7‐Receptor Pathway Involvement in the Anti‐Inflammatory Activity of Medicinal Plants",
volume = "20",
number = "8",
doi = "10.1002/cbdv.202300427"
}

Ortiz, S., Šavikin, K., Massicot, F., Olivier, E., Dutot, M., Rat, P., Deguin, B., Gođevac, D., Menković, N., Živković, J., Zdunić, G.,& Boutefnouchet, S.. (2023). P2X7‐Receptor Pathway Involvement in the Anti‐Inflammatory Activity of Medicinal Plants. in Chemistry & Biodiversity
Wiley., 20(8).
https://doi.org/10.1002/cbdv.202300427

Ortiz S, Šavikin K, Massicot F, Olivier E, Dutot M, Rat P, Deguin B, Gođevac D, Menković N, Živković J, Zdunić G, Boutefnouchet S. P2X7‐Receptor Pathway Involvement in the Anti‐Inflammatory Activity of Medicinal Plants. in Chemistry & Biodiversity. 2023;20(8).
doi:10.1002/cbdv.202300427 .

Ortiz, Sergio, Šavikin, Katarina, Massicot, France, Olivier, Elodie, Dutot, Melody, Rat, Patrice, Deguin, Brigitte, Gođevac, Dejan, Menković, Nebojša, Živković, Jelena, Zdunić, Gordana, Boutefnouchet, Sabrina, "P2X7‐Receptor Pathway Involvement in the Anti‐Inflammatory Activity of Medicinal Plants" in Chemistry & Biodiversity, 20, no. 8 (2023),
https://doi.org/10.1002/cbdv.202300427 . .

TY  - JOUR
AU  - Simić, Katarina
AU  - Miladinović, Zoran
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Avramović, Nataša
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasic, Ljubica
AU  - Mandić, Boris
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6682
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 AG
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 and Todorović, Nina and Trifunović, Snežana and Avramović, Nataša and Gavrilović, Aleksandra and Jovanović, Silvana and Gođevac, Dejan and Vujisić, Ljubodrag and Tešević, Vele and Tasic, 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 AG",
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., Todorović, N., Trifunović, S., Avramović, N., Gavrilović, A., Jovanović, S., Gođevac, D., Vujisić, L., Tešević, V., Tasic, L.,& Mandić, B.. (2023). Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients. in Metabolites
MDPI AG., 13(5), 607.
https://doi.org/10.3390/metabo13050607

Simić K, Miladinović Z, Todorović N, Trifunović S, Avramović N, Gavrilović A, Jovanović S, Gođevac D, Vujisić L, Tešević V, Tasic 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, Todorović, Nina, Trifunović, Snežana, Avramović, Nataša, Gavrilović, Aleksandra, Jovanović, Silvana, Gođevac, Dejan, Vujisić, Ljubodrag, Tešević, Vele, Tasic, 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  - Stanković Jeremić, Jovana
AU  - Gođevac, Dejan
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Trendafilova, Antoaneta
AU  - Aćimović, Milica
AU  - Milosavljević, Slobodan
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5166
AB  - The application of High Performance Thin Layer Chromatography
(HPTLC)-based non-targeted metabolomics as a holistic approach to compare
fingerprints of metabolite changes during Artemisia annua development is
described. Images of HPTLC chromatograms obtained after derivatization with
anisaldehyde-sulphuric acid reagent were used as a dataset for multivariate
analysis. Principal component analysis and Orthogonal Partial Least Squares
Discriminant Analysis confirmed the discrimination of samples belonging to
vegetative phase, flowering stage, and seed formation stage of the plant
development. The obtained results showed that the HPTLC-based metabolomics
approach can be a very reliable technique for the investigation of metabolic
changes during plant development, complementary to GC-MS and NMR-based
metabolomics.
AB  - Описана је холистичка примена нетаргетне метаболомике базиране на високоефикасној танкослојној хроматографији (HPTLC) која омогућава поређење метаболичких профила Artemisia annua и праћење њихових промена током развоја биљке. HPTLC хроматограми након развијања анизалдехидом и сумпорном киселином су коришћени за генерисање података за мултиваријантну анализу. Анализа главних компоненти (PCA) и ортогонална дискриминанта анализа најмањих квадрата (OPLS-DA) су потврдиле разлике између узорака који припадају различитим фенофазама - вегетативној фази, фази цветања и фази формирања семена. Добијени резултати указују да метаболомички приступ заснован на HPTLC методи која је комплементарна са GC-MS и NMR анализом, може бити веома поуздана техника за анализу промене током развоја биљке.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua
T1  - Mетаболомикa базиранa на HPTLC за испитивање метаболичких промена током развоја биљке:  Artemisia annua студија случаја
VL  - 87
IS  - 11
SP  - 1237
EP  - 1244
DO  - 10.2298/JSC210507007S
ER  - 

@article{
author = "Stanković Jeremić, Jovana and Gođevac, Dejan and Ivanović, Stefan and Simić, Katarina and Trendafilova, Antoaneta and Aćimović, Milica and Milosavljević, Slobodan",
year = "2022",
abstract = "The application of High Performance Thin Layer Chromatography
(HPTLC)-based non-targeted metabolomics as a holistic approach to compare
fingerprints of metabolite changes during Artemisia annua development is
described. Images of HPTLC chromatograms obtained after derivatization with
anisaldehyde-sulphuric acid reagent were used as a dataset for multivariate
analysis. Principal component analysis and Orthogonal Partial Least Squares
Discriminant Analysis confirmed the discrimination of samples belonging to
vegetative phase, flowering stage, and seed formation stage of the plant
development. The obtained results showed that the HPTLC-based metabolomics
approach can be a very reliable technique for the investigation of metabolic
changes during plant development, complementary to GC-MS and NMR-based
metabolomics., Описана је холистичка примена нетаргетне метаболомике базиране на високоефикасној танкослојној хроматографији (HPTLC) која омогућава поређење метаболичких профила Artemisia annua и праћење њихових промена током развоја биљке. HPTLC хроматограми након развијања анизалдехидом и сумпорном киселином су коришћени за генерисање података за мултиваријантну анализу. Анализа главних компоненти (PCA) и ортогонална дискриминанта анализа најмањих квадрата (OPLS-DA) су потврдиле разлике између узорака који припадају различитим фенофазама - вегетативној фази, фази цветања и фази формирања семена. Добијени резултати указују да метаболомички приступ заснован на HPTLC методи која је комплементарна са GC-MS и NMR анализом, може бити веома поуздана техника за анализу промене током развоја биљке.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua, Mетаболомикa базиранa на HPTLC за испитивање метаболичких промена током развоја биљке:  Artemisia annua студија случаја",
volume = "87",
number = "11",
pages = "1237-1244",
doi = "10.2298/JSC210507007S"
}

Stanković Jeremić, J., Gođevac, D., Ivanović, S., Simić, K., Trendafilova, A., Aćimović, M.,& Milosavljević, S.. (2022). HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 87(11), 1237-1244.
https://doi.org/10.2298/JSC210507007S

Stanković Jeremić J, Gođevac D, Ivanović S, Simić K, Trendafilova A, Aćimović M, Milosavljević S. HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua. in Journal of the Serbian Chemical Society. 2022;87(11):1237-1244.
doi:10.2298/JSC210507007S .

Stanković Jeremić, Jovana, Gođevac, Dejan, Ivanović, Stefan, Simić, Katarina, Trendafilova, Antoaneta, Aćimović, Milica, Milosavljević, Slobodan, "HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua" in Journal of the Serbian Chemical Society, 87, no. 11 (2022):1237-1244,
https://doi.org/10.2298/JSC210507007S . .

TY  - CONF
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Lekić, Stefan
AU  - Gođevac, Dejan
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5523
AB  - A. ursinum and poisonous adulterants C. majalis and A. 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 (1D zgpr pulse sequence), 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. 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.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia
T1  - Detection of biomarkes of adulterated Allium ursinum with  Convallaria majalis and Arum maculatum
SP  - 111
EP  - 111
UR  - https://hdl.handle.net/21.15107/rcub_cer_5523
ER  - 

@conference{
author = "Ivanović, Stefan and Simić, Katarina and Lekić, Stefan and Gođevac, Dejan",
year = "2022",
abstract = "A. ursinum and poisonous adulterants C. majalis and A. 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 (1D zgpr pulse sequence), 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. 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.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia",
title = "Detection of biomarkes of adulterated Allium ursinum with  Convallaria majalis and Arum maculatum",
pages = "111-111",
url = "https://hdl.handle.net/21.15107/rcub_cer_5523"
}

Ivanović, S., Simić, K., Lekić, S.,& Gođevac, D.. (2022). Detection of biomarkes of adulterated Allium ursinum with  Convallaria majalis and Arum maculatum. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia
Belgrade : Serbian Chemical Society., 111-111.
https://hdl.handle.net/21.15107/rcub_cer_5523

Ivanović S, Simić K, Lekić S, Gođevac D. Detection of biomarkes of adulterated Allium ursinum with  Convallaria majalis and Arum maculatum. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia. 2022;:111-111.
https://hdl.handle.net/21.15107/rcub_cer_5523 .

Ivanović, Stefan, Simić, Katarina, Lekić, Stefan, Gođevac, Dejan, "Detection of biomarkes of adulterated Allium ursinum with  Convallaria majalis and Arum maculatum" in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia (2022):111-111,
https://hdl.handle.net/21.15107/rcub_cer_5523 .

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Lekić, Stefan
AU  - Jadranin, Milka
AU  - Vujisić, Ljubodrag
AU  - Gođevac, Dejan
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5294
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.
PB  - MDPI
T2  - Metabolites
T1  - Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum
VL  - 12
IS  - 9
SP  - 849
DO  - 10.3390/metabo12090849
ER  - 

@article{
author = "Ivanović, Stefan and Simić, Katarina and Lekić, Stefan and Jadranin, Milka and Vujisić, Ljubodrag 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.",
publisher = "MDPI",
journal = "Metabolites",
title = "Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum",
volume = "12",
number = "9",
pages = "849",
doi = "10.3390/metabo12090849"
}

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(9), 849.
https://doi.org/10.3390/metabo12090849

Ivanović S, Simić K, Lekić S, Jadranin M, Vujisić L, Gođevac D. Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum. in Metabolites. 2022;12(9):849.
doi:10.3390/metabo12090849 .

Ivanović, Stefan, Simić, Katarina, Lekić, Stefan, Jadranin, Milka, Vujisić, Ljubodrag, Gođevac, Dejan, "Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum" in Metabolites, 12, no. 9 (2022):849,
https://doi.org/10.3390/metabo12090849 . .

TY  - JOUR
AU  - Simić, Katarina
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Miladinović, Zoran P.
AU  - Gavrilović, Aleksandra
AU  - Jovanović, Silvana
AU  - Avramović, Nataša
AU  - Gođevac, Dejan
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Tasić, Ljubica
AU  - Mandić, Boris
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5199
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.
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 and Miladinović, Zoran P. and Gavrilović, Aleksandra and Jovanović, Silvana and Avramović, Nataša and Gođevac, Dejan and Vujisić, Ljubodrag 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.",
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., Miladinović, Z. P., Gavrilović, A., Jovanović, S., Avramović, N., Gođevac, D., Vujisić, L., 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 S, Miladinović ZP, Gavrilović A, Jovanović S, Avramović N, Gođevac D, Vujisić L, 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, Miladinović, Zoran P., Gavrilović, Aleksandra, Jovanović, Silvana, Avramović, Nataša, Gođevac, Dejan, Vujisić, Ljubodrag, 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  - JOUR
AU  - Gođevac, Dejan
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Anđelković, Boban
AU  - Jovanović, Živko
AU  - Rakić, Tamara
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5165
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  - Willey
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
SP  - 961
EP  - 970
DO  - 10.1002/pca.3151
ER  - 

@article{
author = "Gođevac, Dejan and Ivanović, Stefan and Simić, Katarina and Anđelković, Boban and Jovanović, Živko 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 = "Willey",
journal = "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 = "961-961-970",
doi = "10.1002/pca.3151"
}

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

Gođevac D, Ivanović S, Simić K, Anđelković B, Jovanović Ž, 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, Jovanović, Živko, 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  - CONF
AU  - Ivanović, Stefan
AU  - Gođevac, Dejan
AU  - Simić, Katarina
AU  - Anđelković, Boban
AU  - Jovanović, Ž. D.
AU  - Rakić, Tamara
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5522
AB  - Ramonda serbica and R. nathaliae are resurrection plants that have the
remarkable ability to survive the complete desiccation during periods of drought and
rapidly revive when rewatered and rehydrated. To investigate metabolic changes
during their desiccation and recovery process NMR-based metabolomics approach
coupled with multivariate data analysis was utilized to identify the metabolomes of
the plants from 90 biological replicates. The NMR metabolomics profiles of R.
serbica and R. nathaliae were subjected to multivariate data analysis. PCA was
performed, which resulted in eight principal components (PCs) in both models,
explaining 77.0% of the total data variance in the model with R. serbica samples,
and 79.5% of the variance in the model with R. nathaliae samples. Using NMR
experiments, the content of the two most dominant polar components found in the
leaves of these two plants was determined. Sucrose and the polyphenolic glycoside
myconoside were predominant in almost equal amounts in all samples studied,
regardless of their water content at sampling. Using of 1D and 2D NMR
experiments the main components have been successfully identified. Also, it was
necessary to isolate and purify the myconoside to confirm the structure.
PB  - Niš : Department of Biology and Ecology, Faculty of Science and  Mathematics
PB  - Belgrade : Institute for Nature Conservation of  Serbia
C3  - Book of Abstracts - 14th Symposium on the Flora of Southeastern  Serbia and Neighboring Regions, 26th to 29th June, 2022, Kladovo
T1  - NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae
SP  - 171
EP  - 171
UR  - https://hdl.handle.net/21.15107/rcub_cer_5522
ER  - 

@conference{
author = "Ivanović, Stefan and Gođevac, Dejan and Simić, Katarina and Anđelković, Boban and Jovanović, Ž. D. and Rakić, Tamara",
year = "2022",
abstract = "Ramonda serbica and R. nathaliae are resurrection plants that have the
remarkable ability to survive the complete desiccation during periods of drought and
rapidly revive when rewatered and rehydrated. To investigate metabolic changes
during their desiccation and recovery process NMR-based metabolomics approach
coupled with multivariate data analysis was utilized to identify the metabolomes of
the plants from 90 biological replicates. The NMR metabolomics profiles of R.
serbica and R. nathaliae were subjected to multivariate data analysis. PCA was
performed, which resulted in eight principal components (PCs) in both models,
explaining 77.0% of the total data variance in the model with R. serbica samples,
and 79.5% of the variance in the model with R. nathaliae samples. Using NMR
experiments, the content of the two most dominant polar components found in the
leaves of these two plants was determined. Sucrose and the polyphenolic glycoside
myconoside were predominant in almost equal amounts in all samples studied,
regardless of their water content at sampling. Using of 1D and 2D NMR
experiments the main components have been successfully identified. Also, it was
necessary to isolate and purify the myconoside to confirm the structure.",
publisher = "Niš : Department of Biology and Ecology, Faculty of Science and  Mathematics, Belgrade : Institute for Nature Conservation of  Serbia",
journal = "Book of Abstracts - 14th Symposium on the Flora of Southeastern  Serbia and Neighboring Regions, 26th to 29th June, 2022, Kladovo",
title = "NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae",
pages = "171-171",
url = "https://hdl.handle.net/21.15107/rcub_cer_5522"
}

Ivanović, S., Gođevac, D., Simić, K., Anđelković, B., Jovanović, Ž. D.,& Rakić, T.. (2022). NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae. in Book of Abstracts - 14th Symposium on the Flora of Southeastern  Serbia and Neighboring Regions, 26th to 29th June, 2022, Kladovo
Niš : Department of Biology and Ecology, Faculty of Science and  Mathematics., 171-171.
https://hdl.handle.net/21.15107/rcub_cer_5522

Ivanović S, Gođevac D, Simić K, Anđelković B, Jovanović ŽD, Rakić T. NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae. in Book of Abstracts - 14th Symposium on the Flora of Southeastern  Serbia and Neighboring Regions, 26th to 29th June, 2022, Kladovo. 2022;:171-171.
https://hdl.handle.net/21.15107/rcub_cer_5522 .

Ivanović, Stefan, Gođevac, Dejan, Simić, Katarina, Anđelković, Boban, Jovanović, Ž. D., Rakić, Tamara, "NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae" in Book of Abstracts - 14th Symposium on the Flora of Southeastern  Serbia and Neighboring Regions, 26th to 29th June, 2022, Kladovo (2022):171-171,
https://hdl.handle.net/21.15107/rcub_cer_5522 .

TY  - CONF
AU  - Anđelković, Boban
AU  - Gođevac, Dejan
AU  - Stanković, Jovana
AU  - Cvetković, Mirjana
AU  - Tešević, Vele
AU  - Milosavljević, Slobodan
AU  - Simić, Katarina
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5526
AB  - A large number of plant metabolites has provided an incomparable chemical source of the pharmaceutical
products. The two major fields of chemical research on biological active small molecules, metabolomics and
natural product discovery, have the similar goals of identifying and characterizing small molecules, either in
their isolated active state (natural product chemistry). Metabolomics generate a profile of small molecules
from plant extracts, which could be directly responsible for bioactivity effects. Using dry-column flash
chromatography enable a rapid and inexpensive method for the very efficient separation of plant extract with
a high resolution. This separation method coupled to NMR and FTIR-based metabolomics is applied to identify
bioactive natural products. OPLS multivariate analysis method, was used for correlation the chemical
composition of the plant extracts, Amphoricarpos autariatus, with the results of cytotoxic activity against
Human cervical adenocarcinoma cell line (HeLa) and epithelial lung cancer cell line (A549). In this way, the
highest contribution to the cytotoxic activity was recorded for the guaianolide sesquiterpene lactone were
tested, and their cytotoxic activity were conformed.
PB  - Portugal : PROTEOMASS Scientific Society
C3  - Book of abstracts - 5th International Caparica Christmas Conference  on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal
T1  - Integration	of	dry-column	flash	chromatography	with	NMR	 and	 FTIR	 metabolomics	 to	 reveal	 cytotoxic	 metabolites	 from	 Amphoricarpos	autariatus
SP  - 148
EP  - 148
UR  - https://hdl.handle.net/21.15107/rcub_cer_5526
ER  - 

@conference{
author = "Anđelković, Boban and Gođevac, Dejan and Stanković, Jovana and Cvetković, Mirjana and Tešević, Vele and Milosavljević, Slobodan and Simić, Katarina",
year = "2021",
abstract = "A large number of plant metabolites has provided an incomparable chemical source of the pharmaceutical
products. The two major fields of chemical research on biological active small molecules, metabolomics and
natural product discovery, have the similar goals of identifying and characterizing small molecules, either in
their isolated active state (natural product chemistry). Metabolomics generate a profile of small molecules
from plant extracts, which could be directly responsible for bioactivity effects. Using dry-column flash
chromatography enable a rapid and inexpensive method for the very efficient separation of plant extract with
a high resolution. This separation method coupled to NMR and FTIR-based metabolomics is applied to identify
bioactive natural products. OPLS multivariate analysis method, was used for correlation the chemical
composition of the plant extracts, Amphoricarpos autariatus, with the results of cytotoxic activity against
Human cervical adenocarcinoma cell line (HeLa) and epithelial lung cancer cell line (A549). In this way, the
highest contribution to the cytotoxic activity was recorded for the guaianolide sesquiterpene lactone were
tested, and their cytotoxic activity were conformed.",
publisher = "Portugal : PROTEOMASS Scientific Society",
journal = "Book of abstracts - 5th International Caparica Christmas Conference  on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal",
title = "Integration	of	dry-column	flash	chromatography	with	NMR	 and	 FTIR	 metabolomics	 to	 reveal	 cytotoxic	 metabolites	 from	 Amphoricarpos	autariatus",
pages = "148-148",
url = "https://hdl.handle.net/21.15107/rcub_cer_5526"
}

Anđelković, B., Gođevac, D., Stanković, J., Cvetković, M., Tešević, V., Milosavljević, S.,& Simić, K.. (2021). Integration	of	dry-column	flash	chromatography	with	NMR	 and	 FTIR	 metabolomics	 to	 reveal	 cytotoxic	 metabolites	 from	 Amphoricarpos	autariatus. in Book of abstracts - 5th International Caparica Christmas Conference  on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal
Portugal : PROTEOMASS Scientific Society., 148-148.
https://hdl.handle.net/21.15107/rcub_cer_5526

Anđelković B, Gođevac D, Stanković J, Cvetković M, Tešević V, Milosavljević S, Simić K. Integration	of	dry-column	flash	chromatography	with	NMR	 and	 FTIR	 metabolomics	 to	 reveal	 cytotoxic	 metabolites	 from	 Amphoricarpos	autariatus. in Book of abstracts - 5th International Caparica Christmas Conference  on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal. 2021;:148-148.
https://hdl.handle.net/21.15107/rcub_cer_5526 .

Anđelković, Boban, Gođevac, Dejan, Stanković, Jovana, Cvetković, Mirjana, Tešević, Vele, Milosavljević, Slobodan, Simić, Katarina, "Integration	of	dry-column	flash	chromatography	with	NMR	 and	 FTIR	 metabolomics	 to	 reveal	 cytotoxic	 metabolites	 from	 Amphoricarpos	autariatus" in Book of abstracts - 5th International Caparica Christmas Conference  on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal (2021):148-148,
https://hdl.handle.net/21.15107/rcub_cer_5526 .

TY  - CONF
AU  - Ivanović, Stefan
AU  - Ristivojević, Petar
AU  - Zdunić, Gordana
AU  - Stojanović, Danilo
AU  - Šavikin, Katarina
AU  - Gođevac, Dejan
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7537
AB  - Chokeberry is a plant belonging to the family Rosaceae which has a long history of edible and
medicinal use. The aims of this study are: i) to investigate of HPTLC profile of berries samples
using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of
investigated chokeberry adulterations iii) to identify the most important botanical markers
responsible for classification.
A simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in
combination with multivariate techniques for differentiating chokeberry samples and identification
of the main metabolites of chokeberry and four common adulterants. Images of HPTLC
chromatograms obtained using two different detections i.e. visible light and derivatization with
natural products reagent were used as a dataset for multivariate analysis.
Principal component analysis and Orthogonal Partial Least Squares Discriminant Analysis
confirmed the discrimination of five botanically different samples and recognized their main
markers such as responsible for differences between chokeberry and four common adulterants.
The obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration
PB  - University of Belgrade
C3  - Unifood Conference, Program i zbornik radova, Beograd, 24 i 25 septembar 2021. / Unifood Conference, Programme & Book of Abstracts, Belgrade September 24-25 2021
T1  - Detection of chokeberry adulteration by HPTLS-based metabolomics
SP  - 136
EP  - 136
UR  - https://hdl.handle.net/21.15107/rcub_cer_7537
ER  - 

@conference{
author = "Ivanović, Stefan and Ristivojević, Petar and Zdunić, Gordana and Stojanović, Danilo and Šavikin, Katarina and Gođevac, Dejan",
year = "2021",
abstract = "Chokeberry is a plant belonging to the family Rosaceae which has a long history of edible and
medicinal use. The aims of this study are: i) to investigate of HPTLC profile of berries samples
using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of
investigated chokeberry adulterations iii) to identify the most important botanical markers
responsible for classification.
A simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in
combination with multivariate techniques for differentiating chokeberry samples and identification
of the main metabolites of chokeberry and four common adulterants. Images of HPTLC
chromatograms obtained using two different detections i.e. visible light and derivatization with
natural products reagent were used as a dataset for multivariate analysis.
Principal component analysis and Orthogonal Partial Least Squares Discriminant Analysis
confirmed the discrimination of five botanically different samples and recognized their main
markers such as responsible for differences between chokeberry and four common adulterants.
The obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration",
publisher = "University of Belgrade",
journal = "Unifood Conference, Program i zbornik radova, Beograd, 24 i 25 septembar 2021. / Unifood Conference, Programme & Book of Abstracts, Belgrade September 24-25 2021",
title = "Detection of chokeberry adulteration by HPTLS-based metabolomics",
pages = "136-136",
url = "https://hdl.handle.net/21.15107/rcub_cer_7537"
}

Ivanović, S., Ristivojević, P., Zdunić, G., Stojanović, D., Šavikin, K.,& Gođevac, D.. (2021). Detection of chokeberry adulteration by HPTLS-based metabolomics. in Unifood Conference, Program i zbornik radova, Beograd, 24 i 25 septembar 2021. / Unifood Conference, Programme & Book of Abstracts, Belgrade September 24-25 2021
University of Belgrade., 136-136.
https://hdl.handle.net/21.15107/rcub_cer_7537

Ivanović S, Ristivojević P, Zdunić G, Stojanović D, Šavikin K, Gođevac D. Detection of chokeberry adulteration by HPTLS-based metabolomics. in Unifood Conference, Program i zbornik radova, Beograd, 24 i 25 septembar 2021. / Unifood Conference, Programme & Book of Abstracts, Belgrade September 24-25 2021. 2021;:136-136.
https://hdl.handle.net/21.15107/rcub_cer_7537 .

Ivanović, Stefan, Ristivojević, Petar, Zdunić, Gordana, Stojanović, Danilo, Šavikin, Katarina, Gođevac, Dejan, "Detection of chokeberry adulteration by HPTLS-based metabolomics" in Unifood Conference, Program i zbornik radova, Beograd, 24 i 25 septembar 2021. / Unifood Conference, Programme & Book of Abstracts, Belgrade September 24-25 2021 (2021):136-136,
https://hdl.handle.net/21.15107/rcub_cer_7537 .

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  - https://cer.ihtm.bg.ac.rs/handle/123456789/4908
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.
AB  - Оригано је једна од најчешће коришћених кулинарских биљака и често се криво- твори јефтинијим биљкама. У овој студији, гаснa хроматографијa–масенa спектро- метријa коришћена је за идентификацију и квантификацију метаболита из 104 узорка оригана (Origanum vulgare и O. onites) кривотвореног маслином (Olea europea), венеци- јанским сумаком (Cotinus coggygria) и миртом (Myrtus communis), у пет различитих концентрација. Метаболомички профили добијени након двостепене дериватизације, која укључује метоксиаминовање и силанизацију, подвргнути су мултиваријантној ана- лизи података како би се открили маркери кривотворења и направили регресиони модели на основу односа мешања оригана и биљака за кривотворење. Ортогонална дели- мична анализа најмањих квадрата је омогућила детекцију кривотворења оригана лишћем маслине, венецијанског сумака и мирте. Садржај сорбитола разликовао је узорке оригана кривотворених лишћем маслине, док су шикиминска и кининска кисе- лина препознате као фактор разликовања за кривотворење оригана венецијанским сумаком. Садржај фруктозе и кининске киселине у корелацији су са кривотворењем оригана миртом. Ортогонална делимична анализа најмањих квадрата – дискриминантна анализа је омогућила разликовање узорака O. vulgare и O. onites, при чему је одређено да је катехоллактат метаболит који разликује ове две биљне врсте.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - GC-MS-based metabolomics for the detection of adulteration in oregano samples
T1  - Метаболомика заснована на гасној хроматографији–масеној спектрометрији за детекцију кривотворења узорака оригана.
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., Оригано је једна од најчешће коришћених кулинарских биљака и често се криво- твори јефтинијим биљкама. У овој студији, гаснa хроматографијa–масенa спектро- метријa коришћена је за идентификацију и квантификацију метаболита из 104 узорка оригана (Origanum vulgare и O. onites) кривотвореног маслином (Olea europea), венеци- јанским сумаком (Cotinus coggygria) и миртом (Myrtus communis), у пет различитих концентрација. Метаболомички профили добијени након двостепене дериватизације, која укључује метоксиаминовање и силанизацију, подвргнути су мултиваријантној ана- лизи података како би се открили маркери кривотворења и направили регресиони модели на основу односа мешања оригана и биљака за кривотворење. Ортогонална дели- мична анализа најмањих квадрата је омогућила детекцију кривотворења оригана лишћем маслине, венецијанског сумака и мирте. Садржај сорбитола разликовао је узорке оригана кривотворених лишћем маслине, док су шикиминска и кининска кисе- лина препознате као фактор разликовања за кривотворење оригана венецијанским сумаком. Садржај фруктозе и кининске киселине у корелацији су са кривотворењем оригана миртом. Ортогонална делимична анализа најмањих квадрата – дискриминантна анализа је омогућила разликовање узорака O. vulgare и O. onites, при чему је одређено да је катехоллактат метаболит који разликује ове две биљне врсте.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "GC-MS-based metabolomics for the detection of adulteration in oregano samples, Метаболомика заснована на гасној хроматографији–масеној спектрометрији за детекцију кривотворења узорака оригана.",
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
Serbian Chemical Society.(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;(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, no. 12 (2021):1195-1203,
https://doi.org/10.2298/JSC210809089I . .

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://cer.ihtm.bg.ac.rs/handle/123456789/4575
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
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",
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  - CONF
AU  - Stanković, Jovana
AU  - Gođevac, Dejan
AU  - Cvetković, Mirjana
AU  - Tešević, Vele
AU  - Sofrenić, Ivana
AU  - Ivanović, Stefan
AU  - Novaković, Miroslav
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5527
AB  - A new flavonoid glucoside derivative, patuletin 3-O-(2-O-feruloyl)-β-D-glucuronopyranosyl-(1→2)-β-Dglucopyranoside, named atriplexin IV (1), and three new triterpenoid saponin derivatives, two sulfonylated, β-
D-glucopyranosyl-3-O-(2-O-sulfo-β-D-galactopyranosyl)-(1→2)-α-L-arabinopyranoside-30-alolean-12-en-28-
oate (2), named atriplexogenin I, β-D glucopyranosyl-3-O-(2-O-sulfo-β-D-galactopyranosyl)-(1→2)-α-Larabinopyranoside)-30-hydroxyolean-12-en-28-oate (3), named atriplexogenin II, and β-D-glucopyranosyl-3-
O-(β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→2)-α-L-arabinopyranoside)-30-alolean-12-en-28-oate
(4), named atriplexogenin III, were isolated by silica gel column and semipreparative HPLC chromatography
from the n-butanol extract of the salt marsh plant Atriplex tatarica. In addition, two known secondary
metabolites, patuletin 3-O-β-D-apiofuranosyl-(1‴→2″)-β-D-glucopyranoside (5) and patuletin 3-O-5‴-Oferuloyl-β-D-apiofuranosyl-(1‴→2″)-β-D-glucopyranoside (6), were isolated for the first time from A. tatarica.
The structures of the isolated compounds were elucidated by 1D and 2D NMR, HRESIMS, IR, and UV data.
Antibacterial activity by the microdilution method and antibiofilm activity against P. aeruginosa were assessed.
The best activity against Micrococcus flavus and Pseudomonas aeruginosa showed compound 1, while against
Listeria monocytogenes and Escherichia coli the strongest activity was shown by compound 5. Isolated
saponins (2-4) exhibited a more pronounced biofilm inhibition activity than flavonoid glycosides (1, 5-6). The
best anti-biofilm activity showed compound 2.
PB  - Portugal : PROTEOMASS Scientific Society
C3  - Book of abstracts - 5th International Caparica Christmas Conference on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal
T1  - Antibacterial	 and	 Antibiofilm	 Activity	 of	 Flavonoid	 and	 Saponin	 Derivatives	 from	 Atriplex	 tatarica against	 Pseudomonas	 aeruginosa
SP  - 150
EP  - 150
UR  - https://hdl.handle.net/21.15107/rcub_cer_5527
ER  - 

@conference{
author = "Stanković, Jovana and Gođevac, Dejan and Cvetković, Mirjana and Tešević, Vele and Sofrenić, Ivana and Ivanović, Stefan and Novaković, Miroslav",
year = "2021",
abstract = "A new flavonoid glucoside derivative, patuletin 3-O-(2-O-feruloyl)-β-D-glucuronopyranosyl-(1→2)-β-Dglucopyranoside, named atriplexin IV (1), and three new triterpenoid saponin derivatives, two sulfonylated, β-
D-glucopyranosyl-3-O-(2-O-sulfo-β-D-galactopyranosyl)-(1→2)-α-L-arabinopyranoside-30-alolean-12-en-28-
oate (2), named atriplexogenin I, β-D glucopyranosyl-3-O-(2-O-sulfo-β-D-galactopyranosyl)-(1→2)-α-Larabinopyranoside)-30-hydroxyolean-12-en-28-oate (3), named atriplexogenin II, and β-D-glucopyranosyl-3-
O-(β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→2)-α-L-arabinopyranoside)-30-alolean-12-en-28-oate
(4), named atriplexogenin III, were isolated by silica gel column and semipreparative HPLC chromatography
from the n-butanol extract of the salt marsh plant Atriplex tatarica. In addition, two known secondary
metabolites, patuletin 3-O-β-D-apiofuranosyl-(1‴→2″)-β-D-glucopyranoside (5) and patuletin 3-O-5‴-Oferuloyl-β-D-apiofuranosyl-(1‴→2″)-β-D-glucopyranoside (6), were isolated for the first time from A. tatarica.
The structures of the isolated compounds were elucidated by 1D and 2D NMR, HRESIMS, IR, and UV data.
Antibacterial activity by the microdilution method and antibiofilm activity against P. aeruginosa were assessed.
The best activity against Micrococcus flavus and Pseudomonas aeruginosa showed compound 1, while against
Listeria monocytogenes and Escherichia coli the strongest activity was shown by compound 5. Isolated
saponins (2-4) exhibited a more pronounced biofilm inhibition activity than flavonoid glycosides (1, 5-6). The
best anti-biofilm activity showed compound 2.",
publisher = "Portugal : PROTEOMASS Scientific Society",
journal = "Book of abstracts - 5th International Caparica Christmas Conference on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal",
title = "Antibacterial	 and	 Antibiofilm	 Activity	 of	 Flavonoid	 and	 Saponin	 Derivatives	 from	 Atriplex	 tatarica against	 Pseudomonas	 aeruginosa",
pages = "150-150",
url = "https://hdl.handle.net/21.15107/rcub_cer_5527"
}

Stanković, J., Gođevac, D., Cvetković, M., Tešević, V., Sofrenić, I., Ivanović, S.,& Novaković, M.. (2021). Antibacterial	 and	 Antibiofilm	 Activity	 of	 Flavonoid	 and	 Saponin	 Derivatives	 from	 Atriplex	 tatarica against	 Pseudomonas	 aeruginosa. in Book of abstracts - 5th International Caparica Christmas Conference on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal
Portugal : PROTEOMASS Scientific Society., 150-150.
https://hdl.handle.net/21.15107/rcub_cer_5527

Stanković J, Gođevac D, Cvetković M, Tešević V, Sofrenić I, Ivanović S, Novaković M. Antibacterial	 and	 Antibiofilm	 Activity	 of	 Flavonoid	 and	 Saponin	 Derivatives	 from	 Atriplex	 tatarica against	 Pseudomonas	 aeruginosa. in Book of abstracts - 5th International Caparica Christmas Conference on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal. 2021;:150-150.
https://hdl.handle.net/21.15107/rcub_cer_5527 .

Stanković, Jovana, Gođevac, Dejan, Cvetković, Mirjana, Tešević, Vele, Sofrenić, Ivana, Ivanović, Stefan, Novaković, Miroslav, "Antibacterial	 and	 Antibiofilm	 Activity	 of	 Flavonoid	 and	 Saponin	 Derivatives	 from	 Atriplex	 tatarica against	 Pseudomonas	 aeruginosa" in Book of abstracts - 5th International Caparica Christmas Conference on Sample Treatment (ST 2021), 15th – 18th November 2021, Caparica, Portugal (2021):150-150,
https://hdl.handle.net/21.15107/rcub_cer_5527 .

TY  - CONF
AU  - Anđelković, Boban
AU  - Sofrenić, Ivana
AU  - Ljujić, Jovana
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Gođevac, Dejan
AU  - Tešević, Vele
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5528
AB  - FTIR spectroscopy is non-destructive and simple analytical technique that requires
small sample amounts for providing information about functional groups in molecules. In
certain cases, it is indispensable for structure elucidation of complex organic molecules such as
triterpene derivatives1. Applying this technique, it is possible to monitor the change in the
secondary structure of the protein.2.
Combined with various statistical methods it is a powerful analytical tool in
metabolomics. Thus, FTIR data based statistical models enabled propolis classification and
floral origin determination3. In combination with biological tests such as cytotoxic activity), it
can be used for biologically guided isolation of active compounds4.
Nowadays FTIR spectroscopy is being routinely used for solving various practical
analytical problems, e. g. quality analysis of bees products (beeswax and honey), quantitative
determination of the major constituents in most types of food and agricultural products,
straightforward identification of kidney and bladder stones etc.
PB  - Societat Catalana de Química (SCQ) (Catalan Chemical Society)
PB  - EuChemS Divison of Organic Chemistry
C3  - XII Young Investigator Workshop, 25th – 26th November 2021, Barcelona, Spain
T1  - Ft-IR spectroscopy as a simple tool for rapid solution of various problems
SP  - 35
EP  - 35
UR  - https://hdl.handle.net/21.15107/rcub_cer_5528
ER  - 

@conference{
author = "Anđelković, Boban and Sofrenić, Ivana and Ljujić, Jovana and Simić, Katarina and Ivanović, Stefan and Gođevac, Dejan and Tešević, Vele",
year = "2021",
abstract = "FTIR spectroscopy is non-destructive and simple analytical technique that requires
small sample amounts for providing information about functional groups in molecules. In
certain cases, it is indispensable for structure elucidation of complex organic molecules such as
triterpene derivatives1. Applying this technique, it is possible to monitor the change in the
secondary structure of the protein.2.
Combined with various statistical methods it is a powerful analytical tool in
metabolomics. Thus, FTIR data based statistical models enabled propolis classification and
floral origin determination3. In combination with biological tests such as cytotoxic activity), it
can be used for biologically guided isolation of active compounds4.
Nowadays FTIR spectroscopy is being routinely used for solving various practical
analytical problems, e. g. quality analysis of bees products (beeswax and honey), quantitative
determination of the major constituents in most types of food and agricultural products,
straightforward identification of kidney and bladder stones etc.",
publisher = "Societat Catalana de Química (SCQ) (Catalan Chemical Society), EuChemS Divison of Organic Chemistry",
journal = "XII Young Investigator Workshop, 25th – 26th November 2021, Barcelona, Spain",
title = "Ft-IR spectroscopy as a simple tool for rapid solution of various problems",
pages = "35-35",
url = "https://hdl.handle.net/21.15107/rcub_cer_5528"
}

Anđelković, B., Sofrenić, I., Ljujić, J., Simić, K., Ivanović, S., Gođevac, D.,& Tešević, V.. (2021). Ft-IR spectroscopy as a simple tool for rapid solution of various problems. in XII Young Investigator Workshop, 25th – 26th November 2021, Barcelona, Spain
Societat Catalana de Química (SCQ) (Catalan Chemical Society)., 35-35.
https://hdl.handle.net/21.15107/rcub_cer_5528

Anđelković B, Sofrenić I, Ljujić J, Simić K, Ivanović S, Gođevac D, Tešević V. Ft-IR spectroscopy as a simple tool for rapid solution of various problems. in XII Young Investigator Workshop, 25th – 26th November 2021, Barcelona, Spain. 2021;:35-35.
https://hdl.handle.net/21.15107/rcub_cer_5528 .

Anđelković, Boban, Sofrenić, Ivana, Ljujić, Jovana, Simić, Katarina, Ivanović, Stefan, Gođevac, Dejan, Tešević, Vele, "Ft-IR spectroscopy as a simple tool for rapid solution of various problems" in XII Young Investigator Workshop, 25th – 26th November 2021, Barcelona, Spain (2021):35-35,
https://hdl.handle.net/21.15107/rcub_cer_5528 .

TY  - JOUR
AU  - Salomé-Abarca, Luis Francisco
AU  - Gođevac, Dejan
AU  - Sun Kim, Min
AU  - Hwang, Geum-Sook
AU  - Park, Sang Cheol
AU  - Jang, Young Pyo
AU  - Van Den Hondel, Cees A M J J
AU  - Verpoorte, Robert
AU  - Klinkhamer, Peter G L
AU  - Choi, Young Hae
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4576
AB  - Based on the hypothesis that the variation of the metabolomes of latex is a response to selective pressure and should thus be affected differently from other organs, their variation could provide an insight into the defensive chemical selection of plants. Metabolic profiling was used to compare tissues of three Euphorbia species collected in diverse regions. The metabolic variation of latexes was much more limited than that of other organs. In all the species, the levels of polyisoprenes and terpenes were found to be much higher in latexes than in leaves and roots of the corresponding plants. Polyisoprenes were observed to physically delay the contact of pathogens with plant tissues and their growth. A secondary barrier composed of terpenes in latex and in particular, 24-methylenecycloartanol, exhibited antifungal activity. These results added to the well-known role of enzymes also present in latexes, show that these are part of a cooperative defense system comprising biochemical and physical elements.
PB  - Springer
T2  - Journal of Chemical Ecology
T1  - Latex Metabolome of Euphorbia Species: Geographical and Inter-Species Variation and its Proposed Role in Plant Defense against Herbivores and Pathogens
DO  - 10.1007/s10886-021-01274-x
ER  - 

@article{
author = "Salomé-Abarca, Luis Francisco and Gođevac, Dejan and Sun Kim, Min and Hwang, Geum-Sook and Park, Sang Cheol and Jang, Young Pyo and Van Den Hondel, Cees A M J J and Verpoorte, Robert and Klinkhamer, Peter G L and Choi, Young Hae",
year = "2021",
abstract = "Based on the hypothesis that the variation of the metabolomes of latex is a response to selective pressure and should thus be affected differently from other organs, their variation could provide an insight into the defensive chemical selection of plants. Metabolic profiling was used to compare tissues of three Euphorbia species collected in diverse regions. The metabolic variation of latexes was much more limited than that of other organs. In all the species, the levels of polyisoprenes and terpenes were found to be much higher in latexes than in leaves and roots of the corresponding plants. Polyisoprenes were observed to physically delay the contact of pathogens with plant tissues and their growth. A secondary barrier composed of terpenes in latex and in particular, 24-methylenecycloartanol, exhibited antifungal activity. These results added to the well-known role of enzymes also present in latexes, show that these are part of a cooperative defense system comprising biochemical and physical elements.",
publisher = "Springer",
journal = "Journal of Chemical Ecology",
title = "Latex Metabolome of Euphorbia Species: Geographical and Inter-Species Variation and its Proposed Role in Plant Defense against Herbivores and Pathogens",
doi = "10.1007/s10886-021-01274-x"
}

Salomé-Abarca, L. F., Gođevac, D., Sun Kim, M., Hwang, G., Park, S. C., Jang, Y. P., Van Den Hondel, C. A. M. J. J., Verpoorte, R., Klinkhamer, P. G. L.,& Choi, Y. H.. (2021). Latex Metabolome of Euphorbia Species: Geographical and Inter-Species Variation and its Proposed Role in Plant Defense against Herbivores and Pathogens. in Journal of Chemical Ecology
Springer..
https://doi.org/10.1007/s10886-021-01274-x

Salomé-Abarca LF, Gođevac D, Sun Kim M, Hwang G, Park SC, Jang YP, Van Den Hondel CAMJJ, Verpoorte R, Klinkhamer PGL, Choi YH. Latex Metabolome of Euphorbia Species: Geographical and Inter-Species Variation and its Proposed Role in Plant Defense against Herbivores and Pathogens. in Journal of Chemical Ecology. 2021;.
doi:10.1007/s10886-021-01274-x .

Salomé-Abarca, Luis Francisco, Gođevac, Dejan, Sun Kim, Min, Hwang, Geum-Sook, Park, Sang Cheol, Jang, Young Pyo, Van Den Hondel, Cees A M J J, Verpoorte, Robert, Klinkhamer, Peter G L, Choi, Young Hae, "Latex Metabolome of Euphorbia Species: Geographical and Inter-Species Variation and its Proposed Role in Plant Defense against Herbivores and Pathogens" in Journal of Chemical Ecology (2021),
https://doi.org/10.1007/s10886-021-01274-x . .

TY  - JOUR
AU  - Mandrone, Manuela
AU  - Marincich, Lorenzo
AU  - Chiocchio, Ilaria
AU  - Petroli, Alessandra
AU  - Gođevac, Dejan
AU  - Maresca, Immacolata
AU  - Poli, Ferruccio
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4577
AB  - In this work 1H NMR metabolomics has been employed for quality control of oregano samples. NMR data and morphological analysis (MA) were combined by PCA, obtaining a model able to individuate non-marketable samples, and to distinguish between the two marketable oregano species (Origanum vulgare and O. onites) on the basis of their metabolomic profile. Through this approach distinctive biomarkers of the two species were found, namely apigenin and p-cymene for O. onites, and salvianolic acid B for O. vulgare. Furthermore, the percentage of the samples’ impurity (evaluated by MA) and the metabolomic profiles were correlated by OPLS models, which showed that, in addition to the species-specific biomarkers, thymol and rosmarinic acid (common to both marketable species) strongly correlate to oregano degree of purity. Cistus was one of the most frequent contaminants, thus, a further OPLS model, able to detect the degree of cistus contamination in oregano samples, was also built.
PB  - Elsevier
T2  - Food Control
T1  - NMR-based metabolomics for frauds detection and quality control of oregano samples
VL  - 127
SP  - 108141
DO  - 10.1016/j.foodcont.2021.108141
ER  - 

@article{
author = "Mandrone, Manuela and Marincich, Lorenzo and Chiocchio, Ilaria and Petroli, Alessandra and Gođevac, Dejan and Maresca, Immacolata and Poli, Ferruccio",
year = "2021",
abstract = "In this work 1H NMR metabolomics has been employed for quality control of oregano samples. NMR data and morphological analysis (MA) were combined by PCA, obtaining a model able to individuate non-marketable samples, and to distinguish between the two marketable oregano species (Origanum vulgare and O. onites) on the basis of their metabolomic profile. Through this approach distinctive biomarkers of the two species were found, namely apigenin and p-cymene for O. onites, and salvianolic acid B for O. vulgare. Furthermore, the percentage of the samples’ impurity (evaluated by MA) and the metabolomic profiles were correlated by OPLS models, which showed that, in addition to the species-specific biomarkers, thymol and rosmarinic acid (common to both marketable species) strongly correlate to oregano degree of purity. Cistus was one of the most frequent contaminants, thus, a further OPLS model, able to detect the degree of cistus contamination in oregano samples, was also built.",
publisher = "Elsevier",
journal = "Food Control",
title = "NMR-based metabolomics for frauds detection and quality control of oregano samples",
volume = "127",
pages = "108141",
doi = "10.1016/j.foodcont.2021.108141"
}

Mandrone, M., Marincich, L., Chiocchio, I., Petroli, A., Gođevac, D., Maresca, I.,& Poli, F.. (2021). NMR-based metabolomics for frauds detection and quality control of oregano samples. in Food Control
Elsevier., 127, 108141.
https://doi.org/10.1016/j.foodcont.2021.108141

Mandrone M, Marincich L, Chiocchio I, Petroli A, Gođevac D, Maresca I, Poli F. NMR-based metabolomics for frauds detection and quality control of oregano samples. in Food Control. 2021;127:108141.
doi:10.1016/j.foodcont.2021.108141 .

Mandrone, Manuela, Marincich, Lorenzo, Chiocchio, Ilaria, Petroli, Alessandra, Gođevac, Dejan, Maresca, Immacolata, Poli, Ferruccio, "NMR-based metabolomics for frauds detection and quality control of oregano samples" in Food Control, 127 (2021):108141,
https://doi.org/10.1016/j.foodcont.2021.108141 . .

TY  - JOUR
AU  - Mandrone, Manuela
AU  - Marincich, Lorenzo
AU  - Chiocchio, Ilaria
AU  - Petroli, Alessandra
AU  - Gođevac, Dejan
AU  - Maresca, Immacolata
AU  - Poli, Ferruccio
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4550
AB  - In this work 1H NMR metabolomics has been employed for quality control of oregano samples. NMR data and morphological analysis (MA) were combined by PCA, obtaining a model able to individuate non-marketable samples, and to distinguish between the two marketable oregano species (Origanum vulgare and O. onites) on the basis of their metabolomic profile. Through this approach distinctive biomarkers of the two species were found, namely apigenin and p-cymene for O. onites, and salvianolic acid B for O. vulgare. Furthermore, the percentage of the samples’ impurity (evaluated by MA) and the metabolomic profiles were correlated by OPLS models, which showed that, in addition to the species-specific biomarkers, thymol and rosmarinic acid (common to both marketable species) strongly correlate to oregano degree of purity. Cistus was one of the most frequent contaminants, thus, a further OPLS model, able to detect the degree of cistus contamination in oregano samples, was also built.
PB  - Elsevier
T2  - Food Control
T1  - NMR-based metabolomics for frauds detection and quality control of oregano samples
VL  - 127
SP  - 108141
DO  - 10.1016/j.foodcont.2021.108141
ER  - 

@article{
author = "Mandrone, Manuela and Marincich, Lorenzo and Chiocchio, Ilaria and Petroli, Alessandra and Gođevac, Dejan and Maresca, Immacolata and Poli, Ferruccio",
year = "2021",
abstract = "In this work 1H NMR metabolomics has been employed for quality control of oregano samples. NMR data and morphological analysis (MA) were combined by PCA, obtaining a model able to individuate non-marketable samples, and to distinguish between the two marketable oregano species (Origanum vulgare and O. onites) on the basis of their metabolomic profile. Through this approach distinctive biomarkers of the two species were found, namely apigenin and p-cymene for O. onites, and salvianolic acid B for O. vulgare. Furthermore, the percentage of the samples’ impurity (evaluated by MA) and the metabolomic profiles were correlated by OPLS models, which showed that, in addition to the species-specific biomarkers, thymol and rosmarinic acid (common to both marketable species) strongly correlate to oregano degree of purity. Cistus was one of the most frequent contaminants, thus, a further OPLS model, able to detect the degree of cistus contamination in oregano samples, was also built.",
publisher = "Elsevier",
journal = "Food Control",
title = "NMR-based metabolomics for frauds detection and quality control of oregano samples",
volume = "127",
pages = "108141",
doi = "10.1016/j.foodcont.2021.108141"
}

Mandrone, M., Marincich, L., Chiocchio, I., Petroli, A., Gođevac, D., Maresca, I.,& Poli, F.. (2021). NMR-based metabolomics for frauds detection and quality control of oregano samples. in Food Control
Elsevier., 127, 108141.
https://doi.org/10.1016/j.foodcont.2021.108141

Mandrone M, Marincich L, Chiocchio I, Petroli A, Gođevac D, Maresca I, Poli F. NMR-based metabolomics for frauds detection and quality control of oregano samples. in Food Control. 2021;127:108141.
doi:10.1016/j.foodcont.2021.108141 .

Mandrone, Manuela, Marincich, Lorenzo, Chiocchio, Ilaria, Petroli, Alessandra, Gođevac, Dejan, Maresca, Immacolata, Poli, Ferruccio, "NMR-based metabolomics for frauds detection and quality control of oregano samples" in Food Control, 127 (2021):108141,
https://doi.org/10.1016/j.foodcont.2021.108141 . .

TY  - DATA
AU  - Mandrone, Manuela
AU  - Marincich, Lorenzo
AU  - Chiocchio, Ilaria
AU  - Petroli, Alessandra
AU  - Gođevac, Dejan
AU  - Maresca, Immacolata
AU  - Poli, Ferruccio
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4551
AB  - Table S1. Summary of NMR experiments performed in order to elucidate the structure of salvianolic acid B. Sample was solubilized in CD3OD. Fig. S1 1H NMR spectrum obtained for apigenin (in fraction 114) solubilized in CD3OD. Fig. S2. 1H NMR spectrum obtained for rosmarinic acid (found in EtOAc fraction from Oregano vulgare) solubilized in CD3OD. Fig. S3 1H NMR spectrum obtained for thymol, and p-cymene (found in CHCl3 fraction from Oregano onites) solubilized in CD3OD. Fig. S4 1H NMR spectrum of salvianolic acid B solubilized in CD3OD. Fig. S5 NMR COSY spectrum of salvianolic acid B solubilized in CD3OD. Fig. S6 NMR HSQC spectrum of salvianolic acid B solubilized in CD3OD. Fig. S7 NMR HMBC spectrum of salvianolic acid B solubilized in CD3OD. Fig. S8 NMR J-res spectrum of salvianolic acid B solubilized in CD3OD. Fig. S9 A) S-plot from OPLS-DA model showing the most important spectral bins for the discrimination between the two commercial species of oregano. B) Result of the permutation test of the OPLS-DA model. C) Loading column plot from OPLS-DA model. Fig. S10 Main biomarkers found in this work. Fig. S11. PCA score scatter plot where unknown species (green dots) are distinguished from marketable oregano and placed as outliers by the model. Fig. S12 Extended regions of observed vs predicted plots from OPLS models (y = % of total impurity) of A) Origanum vulgare B) Origanum onites. Fig. S13 Graphic obtained by permutation test of the OPLS model built using as y variable the % of cistus contamination. Fig. S14 J-res spectra of Oregano contaminated with cistus (A) and pure oregano (B). The contaminated sample presents a singlet at δ 3.57.
PB  - Elsevier
T2  - Food Control
T1  - Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples"
UR  - https://hdl.handle.net/21.15107/rcub_cer_4551
ER  - 

@misc{
author = "Mandrone, Manuela and Marincich, Lorenzo and Chiocchio, Ilaria and Petroli, Alessandra and Gođevac, Dejan and Maresca, Immacolata and Poli, Ferruccio",
year = "2021",
abstract = "Table S1. Summary of NMR experiments performed in order to elucidate the structure of salvianolic acid B. Sample was solubilized in CD3OD. Fig. S1 1H NMR spectrum obtained for apigenin (in fraction 114) solubilized in CD3OD. Fig. S2. 1H NMR spectrum obtained for rosmarinic acid (found in EtOAc fraction from Oregano vulgare) solubilized in CD3OD. Fig. S3 1H NMR spectrum obtained for thymol, and p-cymene (found in CHCl3 fraction from Oregano onites) solubilized in CD3OD. Fig. S4 1H NMR spectrum of salvianolic acid B solubilized in CD3OD. Fig. S5 NMR COSY spectrum of salvianolic acid B solubilized in CD3OD. Fig. S6 NMR HSQC spectrum of salvianolic acid B solubilized in CD3OD. Fig. S7 NMR HMBC spectrum of salvianolic acid B solubilized in CD3OD. Fig. S8 NMR J-res spectrum of salvianolic acid B solubilized in CD3OD. Fig. S9 A) S-plot from OPLS-DA model showing the most important spectral bins for the discrimination between the two commercial species of oregano. B) Result of the permutation test of the OPLS-DA model. C) Loading column plot from OPLS-DA model. Fig. S10 Main biomarkers found in this work. Fig. S11. PCA score scatter plot where unknown species (green dots) are distinguished from marketable oregano and placed as outliers by the model. Fig. S12 Extended regions of observed vs predicted plots from OPLS models (y = % of total impurity) of A) Origanum vulgare B) Origanum onites. Fig. S13 Graphic obtained by permutation test of the OPLS model built using as y variable the % of cistus contamination. Fig. S14 J-res spectra of Oregano contaminated with cistus (A) and pure oregano (B). The contaminated sample presents a singlet at δ 3.57.",
publisher = "Elsevier",
journal = "Food Control",
title = "Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples"",
url = "https://hdl.handle.net/21.15107/rcub_cer_4551"
}

Mandrone, M., Marincich, L., Chiocchio, I., Petroli, A., Gođevac, D., Maresca, I.,& Poli, F.. (2021). Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples". in Food Control
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_4551

Mandrone M, Marincich L, Chiocchio I, Petroli A, Gođevac D, Maresca I, Poli F. Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples". in Food Control. 2021;.
https://hdl.handle.net/21.15107/rcub_cer_4551 .

Mandrone, Manuela, Marincich, Lorenzo, Chiocchio, Ilaria, Petroli, Alessandra, Gođevac, Dejan, Maresca, Immacolata, Poli, Ferruccio, "Supporting Material for: "NMR-based metabolomics for frauds detection and quality control of oregano samples"" in Food Control (2021),
https://hdl.handle.net/21.15107/rcub_cer_4551 .