Simić, Katarina

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Authority KeyName Variants
orcid::0000-0001-5060-8936
  • Simić, Katarina (29)
Projects
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry)
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200032 (Institute of Field and Vegetable Crops, Novi Sad) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200051 (Institute of General and Physical Chemistry, Belgrade)
Natural products of wild, cultivated and edible plants: structure and bioactivity determination The synthesis of aminoquinoline-based antimalarials and botulinum neurotoxin A inhibitors
Microbial diversity study and characterization of beneficial environmental microorganisms Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200007 (University of Belgrade, Institute for Biological Research 'Siniša Stanković')
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200110 (University of Belgrade, Faculty of Medicine) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200178 (University of Belgrade, Faculty of Biology)
Organisation for the Prohibition of Chemical Weapons (OPCW) (Project Account No: L/ICA/ICB-108/21) Organisation for the Prohibition of Chemical Weapons (OPCW) (Project Account No: L/ICA/ICB-217652/18)
Organization for the Prohibition of Chemical Weapons (Projects L/ICA/ICB-217652/18 and L/ICA/ICB-108/21) Department of Chemistry, University of Houston, 112 Fleming Building, Houston TX 77204- 5003, USA
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200134 (University of Novi Sad, Faculty of Technology) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200143 (University of Belgrade, Faculty of Veterinary Medicine)
Joint Research Project between Serbian Academy of Science and Arts and Bulgarian Academy of Sciences, “Phytochemical investigation of secondary metabolites from plants and fungi and their biotransformed products“ Organization for the Prohibition of Chemical Weapons (Project L/ICA/ICB/217652/18)
Prohibition of Chemical Weapons - OPCW (Project Account No: L/ICA/ICB-108/21) Prohibition of Chemical Weapons - OPCW (Project Account No: L/ICA/ICB-217652/18)
The Serbian Academy of Sciences and Arts ( project number 01/2022 ) The Serbian Academy of Sciences and Arts ( projects numbers F188 )

Author's Bibliography

Metabolomics as a Potential Chemotaxonomical Tool: Application on the Selected Euphorbia Species Growing Wild in Serbia

Sofrenić, Ivana; Anđelković, Boban; Gođevac, Dejan; Ivanović, Stefan; Simić, Katarina; Ljujić, Jovana; Tešević, Vele; Milosavljević, Slobodan

(Switzerland : Multidisciplinary Digital Publishing Institute (MDPI), 2023)

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 . .
1

1H-NMR metabonomic view on schizophrenia

Avramović, Nataša; Simić, Katarina; Miladinović, Zoran; Todorović, Nina; Trifunović, Snežana; Gavrilović, Aleksandra; Jovanović, Silvana; Gođevac, Dejan; Vujisić, Ljubodrag; Tešević, Vele; Tasić, Ljubica; Mandić, Boris

(International Association of Physical Chemists, 2023)

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 .

1H-NMR-based serum metabolomics of bipolar disorder patients

Avramović, Nataša; Simić, Katarina; Miladinović, Zoran; Todorović, Nina; Trifunović, Snežana; Gavrilović, Aleksandra; Jovanović, Silvana; Gođevac, Dejan; Vujisić, Ljubodrag; Tešević, Vele; Tasić, Ljubica; Mandić, Boris

(International Association of Physical Chemists, 2023)

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 .

Poster presentation: 1H-NMR metabonomic view on schizophrenia

Avramović, Nataša; Simić, Katarina; Miladinović, Zoran; Todorović, Nina; Trifunović, Snežana; Gavrilović, Aleksandra; Jovanović, Silvana; Gođevac, Dejan; Vujisić, Ljubodrag; Tešević, Vele; Tasić, Ljubica; Mandić, Boris

(2023)

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 .

Poster presentation: 1H-NMR-based serum metabolomics of bipolar disorder patients

Avramović, Nataša; Simić, Katarina; Miladinović, Zoran; Todorović, Nina; Trifunović, Snežana; Gavrilović, Aleksandra; Jovanović, Silvana; Gođevac, Dejan; Vujisić, Ljubodrag; Tešević, Vele; Tasić, Ljubica; Mandić, Boris

(2023)

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 .

Metabolomic Profiling of Bipolar Disorder by 1H-NMR in Serbian Patients

Simić, Katarina; Miladinović, Zoran; Todorović, Nina; Trifunović, Snežana; Avramović, Nataša; Gavrilović, Aleksandra; Jovanović, Silvana; Gođevac, Dejan; Vujisić, Ljubodrag; Tešević, Vele; Tasic, Ljubica; Mandić, Boris

(MDPI AG, 2023)

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 . .
2
3
2

HPTLC-based metabolomics for the investigation of metabolic changes during plant development: The case study of Artemisia annua

Stanković Jeremić, Jovana; Gođevac, Dejan; Ivanović, Stefan; Simić, Katarina; Trendafilova, Antoaneta; Aćimović, Milica; Milosavljević, Slobodan

(Belgrade : Serbian Chemical Society, 2022)

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 . .
2

Detection of biomarkes of adulterated Allium ursinum with Convallaria majalis and Arum maculatum

Ivanović, Stefan; Simić, Katarina; Lekić, Stefan; Gođevac, Dejan

(Belgrade : Serbian Chemical Society, 2022)

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 .

Plant Metabolomics as a Tool for Detecting Adulterants in Edible Plant: A Case Study of Allium ursinum

Ivanović, Stefan; Simić, Katarina; Lekić, Stefan; Jadranin, Milka; Vujisić, Ljubodrag; Gođevac, Dejan

(MDPI, 2022)

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 . .
3

NMR Metabolomics in Serum Fingerprinting of Schizophrenia Patients in a Serbian Cohort

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

(MDPI, 2022)

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 . .
10

Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae

Gođevac, Dejan; Ivanović, Stefan; Simić, Katarina; Anđelković, Boban; Jovanović, Živko; Rakić, Tamara

(Willey, 2022)

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 . .
1
4
4

Serum biomarkers of schizophrenia

Simić, Katarina; Ivanović, Stefan; Trifunović, Snežana; Mandić, Boris

(Belgrade : Serbian Chemical Society, 2022)

TY  - CONF
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Trifunović, Snežana
AU  - Mandić, Boris
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5552
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.
The investigation of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses based on detection and of low molecular weight components in samples can be difficult due to overlapping signal caused by line broadening characteristics of macromolecules. A way of overcoming this problem could be the exploitation of the difference in relaxation between small molecules and macromolecular species, such as the application of a T2 filter by using the Carr–Purcell–Meiboom–Gill (CPMG) spin-echo pulse sequence, which led to the identification of 26 metabolites/biomarkers for this disorder.
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  - 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  - Serum biomarkers of schizophrenia
UR  - https://hdl.handle.net/21.15107/rcub_cer_5552
ER  - 
@conference{
author = "Simić, Katarina and Ivanović, Stefan and Trifunović, Snežana 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.
The investigation of serum samples of Serbian patients with schizophrenia (51) and healthy controls (39), based on NMR analyses based on detection and of low molecular weight components in samples can be difficult due to overlapping signal caused by line broadening characteristics of macromolecules. A way of overcoming this problem could be the exploitation of the difference in relaxation between small molecules and macromolecular species, such as the application of a T2 filter by using the Carr–Purcell–Meiboom–Gill (CPMG) spin-echo pulse sequence, which led to the identification of 26 metabolites/biomarkers for this disorder.
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 = "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 = "Serum biomarkers of schizophrenia",
url = "https://hdl.handle.net/21.15107/rcub_cer_5552"
}
Simić, K., Ivanović, S., Trifunović, S.,& Mandić, B.. (2022). Serum biomarkers of schizophrenia. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia
Belgrade : Serbian Chemical Society..
https://hdl.handle.net/21.15107/rcub_cer_5552
Simić K, Ivanović S, Trifunović S, Mandić B. Serum biomarkers of schizophrenia. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia. 2022;.
https://hdl.handle.net/21.15107/rcub_cer_5552 .
Simić, Katarina, Ivanović, Stefan, Trifunović, Snežana, Mandić, Boris, "Serum biomarkers of schizophrenia" in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia (2022),
https://hdl.handle.net/21.15107/rcub_cer_5552 .

NMR metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and Ramonda nathaliae

Ivanović, Stefan; Gođevac, Dejan; Simić, Katarina; Anđelković, Boban; Jovanović, Ž. D.; Rakić, Tamara

(Niš : Department of Biology and Ecology, Faculty of Science and Mathematics, 2022)

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 .

Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities

Aćimović, Milica; Šeregelj, Vanja; Simić, Katarina; Varga, Ana; Pezo, Lato; Vulić, Jelena; Čabarkapa, Ivana

(Lublin : Uniwersytetu Przyrodniczego Lublin, 2022)

TY  - JOUR
AU  - Aćimović, Milica
AU  - Šeregelj, Vanja
AU  - Simić, Katarina
AU  - Varga, Ana
AU  - Pezo, Lato
AU  - Vulić, Jelena
AU  - Čabarkapa, Ivana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5353
AB  - Essential oil (EO) obtained by hydrodistillation in a Clevenger-type apparatus from aerial parts of Nepeta cataria L. var. citriodora (Becker), cultivated in Serbia was subjected to gas chromatography-mass spectroscopy (GC-MS) to determine the composition. Furthermore, N. cataria var. citriodora essential oil was
tested to determine its antimicrobial, antioxidant, antihyperglycemic and anti-inflammatory activities in vitro.
The antimicrobial activity was tested by broth microdilution method against 16 bacterial strains from American Type Culture Collection (ATCC). Four common tests for measuring in vitro antioxidant activity were used: 2, 2-diphenyl-1-picrylhydrazyl assay (DPPH), reducing power (RP), 2,2-azino-bis-3-ethylbenzothiazoline-
6-sulfonic acid (ABTS) and β-carotene bleaching assay (BCB). Antihyperglycemic activity was examined by using α-glucosidase inhibitory potential (AHgA), while anti-inflammatory activity (AIA) was determined by protein denaturation bioassay, using egg albumin. In total, 36 compounds were isolated and detected by GC-MS technique in N. cataria var. citriodora EO. The EO is mainly comprised of oxygenated monoterpenes (93.1%), and the main compounds were two monoterpenoid alcohols, nerol (38.5%) and geraniol (24.9%), followed by two aliphatic aldehyde, geranial (14.6%) and neral (11.0%). Antimicrobial activity of this EO shows growth inhibition of all tested bacteria strains, and exhibited good antioxidant, antihyperglycemic and anti-inflammatory activities. The EO obtained from N. cataria var. citriodora grown in Serbia shows valuable biological activity, indicating its potential for use as a supplement in everyday diet and as a natural preservative in food industry.
PB  - Lublin : Uniwersytetu  Przyrodniczego Lublin
T2  - Acta Scientiarum Polonorum Hortorum Cultus
T1  - Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities
VL  - 21
IS  - 4
SP  - 67
EP  - 74
DO  - 10.24326/asphc.2022.4.7
ER  - 
@article{
author = "Aćimović, Milica and Šeregelj, Vanja and Simić, Katarina and Varga, Ana and Pezo, Lato and Vulić, Jelena and Čabarkapa, Ivana",
year = "2022",
abstract = "Essential oil (EO) obtained by hydrodistillation in a Clevenger-type apparatus from aerial parts of Nepeta cataria L. var. citriodora (Becker), cultivated in Serbia was subjected to gas chromatography-mass spectroscopy (GC-MS) to determine the composition. Furthermore, N. cataria var. citriodora essential oil was
tested to determine its antimicrobial, antioxidant, antihyperglycemic and anti-inflammatory activities in vitro.
The antimicrobial activity was tested by broth microdilution method against 16 bacterial strains from American Type Culture Collection (ATCC). Four common tests for measuring in vitro antioxidant activity were used: 2, 2-diphenyl-1-picrylhydrazyl assay (DPPH), reducing power (RP), 2,2-azino-bis-3-ethylbenzothiazoline-
6-sulfonic acid (ABTS) and β-carotene bleaching assay (BCB). Antihyperglycemic activity was examined by using α-glucosidase inhibitory potential (AHgA), while anti-inflammatory activity (AIA) was determined by protein denaturation bioassay, using egg albumin. In total, 36 compounds were isolated and detected by GC-MS technique in N. cataria var. citriodora EO. The EO is mainly comprised of oxygenated monoterpenes (93.1%), and the main compounds were two monoterpenoid alcohols, nerol (38.5%) and geraniol (24.9%), followed by two aliphatic aldehyde, geranial (14.6%) and neral (11.0%). Antimicrobial activity of this EO shows growth inhibition of all tested bacteria strains, and exhibited good antioxidant, antihyperglycemic and anti-inflammatory activities. The EO obtained from N. cataria var. citriodora grown in Serbia shows valuable biological activity, indicating its potential for use as a supplement in everyday diet and as a natural preservative in food industry.",
publisher = "Lublin : Uniwersytetu  Przyrodniczego Lublin",
journal = "Acta Scientiarum Polonorum Hortorum Cultus",
title = "Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities",
volume = "21",
number = "4",
pages = "67-74",
doi = "10.24326/asphc.2022.4.7"
}
Aćimović, M., Šeregelj, V., Simić, K., Varga, A., Pezo, L., Vulić, J.,& Čabarkapa, I.. (2022). Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities. in Acta Scientiarum Polonorum Hortorum Cultus
Lublin : Uniwersytetu  Przyrodniczego Lublin., 21(4), 67-74.
https://doi.org/10.24326/asphc.2022.4.7
Aćimović M, Šeregelj V, Simić K, Varga A, Pezo L, Vulić J, Čabarkapa I. Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities. in Acta Scientiarum Polonorum Hortorum Cultus. 2022;21(4):67-74.
doi:10.24326/asphc.2022.4.7 .
Aćimović, Milica, Šeregelj, Vanja, Simić, Katarina, Varga, Ana, Pezo, Lato, Vulić, Jelena, Čabarkapa, Ivana, "Chemical profile of Nepeta cataria L. var. citriodora (Becker) essential oil and in vitro evaluation of biological activities" in Acta Scientiarum Polonorum Hortorum Cultus, 21, no. 4 (2022):67-74,
https://doi.org/10.24326/asphc.2022.4.7 . .
3
1

Integration of dry-column flash chromatography with NMR and FTIR metabolomics to reveal cytotoxic metabolites from Amphoricarpos autariatus

Anđelković, Boban; Gođevac, Dejan; Stanković, Jovana; Cvetković, Mirjana; Tešević, Vele; Milosavljević, Slobodan; Simić, Katarina

(Portugal : PROTEOMASS Scientific Society, 2021)

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 .

Phytosterol composition of selected nuts and seeds from the Serbian market

Sofrenić, Ivana; Ljujić, Jovana; Simić, Katarina; Kukić-Marković, Jelena; Ivanović, Nevena; Dodevska, Margarita

(University Prince of Songkla, Thailand; University of Novi Sad, Faculty of Sciences, Serbia, 2021)

TY  - CONF
AU  - Sofrenić, Ivana
AU  - Ljujić, Jovana
AU  - Simić, Katarina
AU  - Kukić-Marković, Jelena
AU  - Ivanović, Nevena
AU  - Dodevska, Margarita
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7394
AB  - Edible nuts and seeds are nutrient-rich food, and also valuable source of various bioactive compounds. Among them are phytosterols, plant triterpenes with proven antioxidant, anti-inflammatory and antibacterial properties. Due to their similar structure with cholesterol, these plant sterols, when digested, compete with cholesterol for small intestine absorption leading to lowering of the cholesterol level in blood.
PB  - University Prince of Songkla, Thailand; University of Novi Sad, Faculty of Sciences, Serbia
C3  - Book of Abstracts, International Bioscience Conference and the 8th International PSU – UNS Bioscience Conference, 25-26 November 2021, Novi Sad, Serbia
T1  - Phytosterol composition of selected nuts and seeds from the Serbian market
SP  - 229
EP  - 229
UR  - https://hdl.handle.net/21.15107/rcub_cer_7394
ER  - 
@conference{
author = "Sofrenić, Ivana and Ljujić, Jovana and Simić, Katarina and Kukić-Marković, Jelena and Ivanović, Nevena and Dodevska, Margarita",
year = "2021",
abstract = "Edible nuts and seeds are nutrient-rich food, and also valuable source of various bioactive compounds. Among them are phytosterols, plant triterpenes with proven antioxidant, anti-inflammatory and antibacterial properties. Due to their similar structure with cholesterol, these plant sterols, when digested, compete with cholesterol for small intestine absorption leading to lowering of the cholesterol level in blood.",
publisher = "University Prince of Songkla, Thailand; University of Novi Sad, Faculty of Sciences, Serbia",
journal = "Book of Abstracts, International Bioscience Conference and the 8th International PSU – UNS Bioscience Conference, 25-26 November 2021, Novi Sad, Serbia",
title = "Phytosterol composition of selected nuts and seeds from the Serbian market",
pages = "229-229",
url = "https://hdl.handle.net/21.15107/rcub_cer_7394"
}
Sofrenić, I., Ljujić, J., Simić, K., Kukić-Marković, J., Ivanović, N.,& Dodevska, M.. (2021). Phytosterol composition of selected nuts and seeds from the Serbian market. in Book of Abstracts, International Bioscience Conference and the 8th International PSU – UNS Bioscience Conference, 25-26 November 2021, Novi Sad, Serbia
University Prince of Songkla, Thailand; University of Novi Sad, Faculty of Sciences, Serbia., 229-229.
https://hdl.handle.net/21.15107/rcub_cer_7394
Sofrenić I, Ljujić J, Simić K, Kukić-Marković J, Ivanović N, Dodevska M. Phytosterol composition of selected nuts and seeds from the Serbian market. in Book of Abstracts, International Bioscience Conference and the 8th International PSU – UNS Bioscience Conference, 25-26 November 2021, Novi Sad, Serbia. 2021;:229-229.
https://hdl.handle.net/21.15107/rcub_cer_7394 .
Sofrenić, Ivana, Ljujić, Jovana, Simić, Katarina, Kukić-Marković, Jelena, Ivanović, Nevena, Dodevska, Margarita, "Phytosterol composition of selected nuts and seeds from the Serbian market" in Book of Abstracts, International Bioscience Conference and the 8th International PSU – UNS Bioscience Conference, 25-26 November 2021, Novi Sad, Serbia (2021):229-229,
https://hdl.handle.net/21.15107/rcub_cer_7394 .

Inhibition potency of disulphides and trisulphides on various tumor cell lines growth

Mandić, Boris; Simić, Katarina; Trifunović, Snežana; Vujisić, Ljubodrag; Novaković, Miroslav; Tešević, Vele; Miljanić, Ognjen Š.

(S.C. Virtual Company of Phisics S.R.L, 2021)

TY  - JOUR
AU  - Mandić, Boris
AU  - Simić, Katarina
AU  - Trifunović, Snežana
AU  - Vujisić, Ljubodrag
AU  - Novaković, Miroslav
AU  - Tešević, Vele
AU  - Miljanić, Ognjen Š.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7389
AB  - Tumor is one of the leading diseases of today. Chemotherapy and radiation therapy healing chances are limited, so some alternative methods are resorted to. Many papers indicated that garlic and organosulphur compounds diallyldisulphide (DADS) and diallyltrisulphide, which are main components of garlic decrease the cancer risk and inhibit the cell proliferation. In this paper inhibition potency of disulphides (DADS and its synthetic analogues) and trisulphides with different alkyl and phenyl substituents on growth of various tumor (Non-Small cell Lung Cancer, Colon cancer, CNS Cancer, Melanoma, Ovarian Cancer, Renal Cancer, Prostate Cancer, Breast Cancer, Leukemia) cell lines was investigated. Concentration of each compound (DADS, diethyl disulphide, dipropyl disulphide, diphenyl disulphide, tetraethylthiuram disulphide (TETUDS), dimetil trisulphide, dipropyl trisulphide and metilpropyl trisulphide (MPTS) was 10 µmol/L. It was found that DADS has an inhibitory effect on the growth of several cancer cell lines, but synthetic analogues TETUDS and MPTS exhibit stronger effect on certain cells lines. MPTS inhibits the growth of even 12 cell lines for more than 10%, especially leukemia cell line SR and NCI-H522 cell line of Non-Small cell Lung Cancer (reduction of growth for 24% and 47%, resp.). Trisulphide analogues exhibit little higher inhibitory effects in comparison to disulphide ones.
PB  - S.C. Virtual Company of Phisics S.R.L
T2  - Digest Journal of Nanomaterials and Biostructures
T1  - Inhibition potency of disulphides and trisulphides on various tumor cell lines growth
VL  - 16
IS  - 2
SP  - 585
EP  - 592
DO  - 10.15251/DJNB.2021.162.585
ER  - 
@article{
author = "Mandić, Boris and Simić, Katarina and Trifunović, Snežana and Vujisić, Ljubodrag and Novaković, Miroslav and Tešević, Vele and Miljanić, Ognjen Š.",
year = "2021",
abstract = "Tumor is one of the leading diseases of today. Chemotherapy and radiation therapy healing chances are limited, so some alternative methods are resorted to. Many papers indicated that garlic and organosulphur compounds diallyldisulphide (DADS) and diallyltrisulphide, which are main components of garlic decrease the cancer risk and inhibit the cell proliferation. In this paper inhibition potency of disulphides (DADS and its synthetic analogues) and trisulphides with different alkyl and phenyl substituents on growth of various tumor (Non-Small cell Lung Cancer, Colon cancer, CNS Cancer, Melanoma, Ovarian Cancer, Renal Cancer, Prostate Cancer, Breast Cancer, Leukemia) cell lines was investigated. Concentration of each compound (DADS, diethyl disulphide, dipropyl disulphide, diphenyl disulphide, tetraethylthiuram disulphide (TETUDS), dimetil trisulphide, dipropyl trisulphide and metilpropyl trisulphide (MPTS) was 10 µmol/L. It was found that DADS has an inhibitory effect on the growth of several cancer cell lines, but synthetic analogues TETUDS and MPTS exhibit stronger effect on certain cells lines. MPTS inhibits the growth of even 12 cell lines for more than 10%, especially leukemia cell line SR and NCI-H522 cell line of Non-Small cell Lung Cancer (reduction of growth for 24% and 47%, resp.). Trisulphide analogues exhibit little higher inhibitory effects in comparison to disulphide ones.",
publisher = "S.C. Virtual Company of Phisics S.R.L",
journal = "Digest Journal of Nanomaterials and Biostructures",
title = "Inhibition potency of disulphides and trisulphides on various tumor cell lines growth",
volume = "16",
number = "2",
pages = "585-592",
doi = "10.15251/DJNB.2021.162.585"
}
Mandić, B., Simić, K., Trifunović, S., Vujisić, L., Novaković, M., Tešević, V.,& Miljanić, O. Š.. (2021). Inhibition potency of disulphides and trisulphides on various tumor cell lines growth. in Digest Journal of Nanomaterials and Biostructures
S.C. Virtual Company of Phisics S.R.L., 16(2), 585-592.
https://doi.org/10.15251/DJNB.2021.162.585
Mandić B, Simić K, Trifunović S, Vujisić L, Novaković M, Tešević V, Miljanić OŠ. Inhibition potency of disulphides and trisulphides on various tumor cell lines growth. in Digest Journal of Nanomaterials and Biostructures. 2021;16(2):585-592.
doi:10.15251/DJNB.2021.162.585 .
Mandić, Boris, Simić, Katarina, Trifunović, Snežana, Vujisić, Ljubodrag, Novaković, Miroslav, Tešević, Vele, Miljanić, Ognjen Š., "Inhibition potency of disulphides and trisulphides on various tumor cell lines growth" in Digest Journal of Nanomaterials and Biostructures, 16, no. 2 (2021):585-592,
https://doi.org/10.15251/DJNB.2021.162.585 . .

Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential

Sofrenić, Ivana; Ljujić, Jovana; Simić, Katarina; Ivanović, Stefan; Stanković Jeremić, Jovana; Ćirić, Ana; Soković, Marina; Andjelković, Boban

(Serbian Chemical Society, 2021)

TY  - JOUR
AU  - Sofrenić, Ivana
AU  - Ljujić, Jovana
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Stanković Jeremić, Jovana
AU  - Ćirić, Ana
AU  - Soković, Marina
AU  - Andjelković, Boban
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4909
AB  - The objective of this study was to test four-dimensional LC-ESI-MS/MS chromatography in analysis of complex mixture such as ethanol extracts of different propolis samples. In total more than 1200 picks were identified and only for 185 literature conformation was found. The given data represent the result of tentative identification, and summarized results are given in the text. Comparing the samples, from different altitudes, 96 components were detected as characteristic in high altitude samples and 18 in samples collected at low altitudes. Antimicrobial activity of ethanol extracts of propolis (EEP) and pro­pyl­ene glycol extracts of propolis (PGEP) were carried out on S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli and E. cloacae bacterial strains and compared with broad-spectrum antibiotics, streptomycin and ampicillin. Anti-quorum sensing activity was performed on P. aeruginosa by testing the effect of representative propolis extracts on bio­film formation, twitching and motility activity and production of pyocyanin. We demonstrated that the majority of explored propolis extracts have greater or equal minimal inhibitory concentration and minimum bactericidal concen­tra­tion values compared to antibiotics, independently of the solvent used for the extraction. The samples collected from the highest altitude emerged as least active antimicrobial agents but with the greatest potential as anti-quorum sen­sing agents.
AB  - Циљ овог истраживања је билo тестирање четвородимензионалне LC–ESI-MS/MS хроматографије у анализи комплексних смеша, као што су етанолни екстракти различитих узорака прополиса. Укупно је идентификовано више од 1200 пикова, а самo за 185 смо нашли литературну потврду. Приказани подаци представљају тентативну идентификацију и сумирани резултат је дат у тексту. Поређењем узорака са различитих надморских висина, за 96 једињења је утврђено да се налазе само у узорцима са високе надморске висине и 18 само у узорцима прикупљеним на нижим надморским висинама. Антибактеријске активности етанолних и пропиленгликолних екстрактата прополиса (EEP и PGEP, редом) тестиране су на S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli и E. cloacae бактеријским линијама и поређене са анти- биотицима широког спектра деловања, стрептомицином и ампицилином. Anti-quorum sensing активност је тестирана на P. aeruginosa испитивањем ефекта репрезентативних екстраката прополиса на формирање биофилма, тестовима покретљивости руба коло- није (twitching и mobility) и производње пиоцианина. Показали смо да највећи број, коришћених екстраката прополиса, има истe и/или мање MIC и MBC вредности, у поре- ђењу са атибиотицима, независно од растварача коришћеног за екстракцију. Узорци прикупљени на високим надморским висинама су се показали као најмање активни антибактерициди али имају велики anti-quorum sensing потенцијал.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential
T1  - Примена lc–ms/ms технике са јонском покретљивошћу за хемијску анализу екстраката прополиса са антимикробним потенцијалом.
IS  - 12
SP  - 1205
EP  - 1218
DO  - 10.2298/JSC210812086S
ER  - 
@article{
author = "Sofrenić, Ivana and Ljujić, Jovana and Simić, Katarina and Ivanović, Stefan and Stanković Jeremić, Jovana and Ćirić, Ana and Soković, Marina and Andjelković, Boban",
year = "2021",
abstract = "The objective of this study was to test four-dimensional LC-ESI-MS/MS chromatography in analysis of complex mixture such as ethanol extracts of different propolis samples. In total more than 1200 picks were identified and only for 185 literature conformation was found. The given data represent the result of tentative identification, and summarized results are given in the text. Comparing the samples, from different altitudes, 96 components were detected as characteristic in high altitude samples and 18 in samples collected at low altitudes. Antimicrobial activity of ethanol extracts of propolis (EEP) and pro­pyl­ene glycol extracts of propolis (PGEP) were carried out on S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli and E. cloacae bacterial strains and compared with broad-spectrum antibiotics, streptomycin and ampicillin. Anti-quorum sensing activity was performed on P. aeruginosa by testing the effect of representative propolis extracts on bio­film formation, twitching and motility activity and production of pyocyanin. We demonstrated that the majority of explored propolis extracts have greater or equal minimal inhibitory concentration and minimum bactericidal concen­tra­tion values compared to antibiotics, independently of the solvent used for the extraction. The samples collected from the highest altitude emerged as least active antimicrobial agents but with the greatest potential as anti-quorum sen­sing agents., Циљ овог истраживања је билo тестирање четвородимензионалне LC–ESI-MS/MS хроматографије у анализи комплексних смеша, као што су етанолни екстракти различитих узорака прополиса. Укупно је идентификовано више од 1200 пикова, а самo за 185 смо нашли литературну потврду. Приказани подаци представљају тентативну идентификацију и сумирани резултат је дат у тексту. Поређењем узорака са различитих надморских висина, за 96 једињења је утврђено да се налазе само у узорцима са високе надморске висине и 18 само у узорцима прикупљеним на нижим надморским висинама. Антибактеријске активности етанолних и пропиленгликолних екстрактата прополиса (EEP и PGEP, редом) тестиране су на S. aureus, B. cereus, M. flavus, L. monocytogenes, P. aeruginosa, S. typhimurium, E. coli и E. cloacae бактеријским линијама и поређене са анти- биотицима широког спектра деловања, стрептомицином и ампицилином. Anti-quorum sensing активност је тестирана на P. aeruginosa испитивањем ефекта репрезентативних екстраката прополиса на формирање биофилма, тестовима покретљивости руба коло- није (twitching и mobility) и производње пиоцианина. Показали смо да највећи број, коришћених екстраката прополиса, има истe и/или мање MIC и MBC вредности, у поре- ђењу са атибиотицима, независно од растварача коришћеног за екстракцију. Узорци прикупљени на високим надморским висинама су се показали као најмање активни антибактерициди али имају велики anti-quorum sensing потенцијал.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential, Примена lc–ms/ms технике са јонском покретљивошћу за хемијску анализу екстраката прополиса са антимикробним потенцијалом.",
number = "12",
pages = "1205-1218",
doi = "10.2298/JSC210812086S"
}
Sofrenić, I., Ljujić, J., Simić, K., Ivanović, S., Stanković Jeremić, J., Ćirić, A., Soković, M.,& Andjelković, B.. (2021). Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential. in Journal of the Serbian Chemical Society
Serbian Chemical Society.(12), 1205-1218.
https://doi.org/10.2298/JSC210812086S
Sofrenić I, Ljujić J, Simić K, Ivanović S, Stanković Jeremić J, Ćirić A, Soković M, Andjelković B. Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential. in Journal of the Serbian Chemical Society. 2021;(12):1205-1218.
doi:10.2298/JSC210812086S .
Sofrenić, Ivana, Ljujić, Jovana, Simić, Katarina, Ivanović, Stefan, Stanković Jeremić, Jovana, Ćirić, Ana, Soković, Marina, Andjelković, Boban, "Application of LC-MS/MS with ion mobility for chemical analysis of propolis extracts with antimicrobial potential" in Journal of the Serbian Chemical Society, no. 12 (2021):1205-1218,
https://doi.org/10.2298/JSC210812086S . .
2

Essential oil quality of chamomile grown in Province of Vojvodina

Aćimović, Milica; Stanković Jeremić, Jovana; Simić, Katarina; Ivanović, Stefan; Ljujić, Jovana; Čabarkapa, Ivana; Radojčin, Milivoj; Todosijević, Marina; Cvetković, Mirjana

(Novi Sad: Poljoprivredni fakultet, 2021)

TY  - JOUR
AU  - Aćimović, Milica
AU  - Stanković Jeremić, Jovana
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Ljujić, Jovana
AU  - Čabarkapa, Ivana
AU  - Radojčin, Milivoj
AU  - Todosijević, Marina
AU  - Cvetković, Mirjana
PY  - 2021
UR  - http://letopisnaucnihradova.rs/wp-content/uploads/2021/09/Essential_oil_quality_of_chamomile_grown_in_Province_of_Vojvodina-Acimovic_et_al..pdf
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5167
AB  - Chamomile (Matricaria chamomilla L., Asteraceae) is one of the most popular medicinal plants used as a herb
infusion for treating numerous ailments, including sleep disorders, anxiety, digestion and intestinal conditions
etc. Chamomile essential oil is used in a wide variety of consumer goods such as detergents, soaps, toiletries,
cosmetics, pharmaceuticals, perfumes, confectionery food products, soft drinks, distilled alcoholic beverages
(hard liquor) and as insecticide. According to the European Pharmacopoeia, there are two types of essential
oils, one rich in bisabolol oxides and the other in α-bisabolol, which are preferred for tea brewing because of
its sweet, grassy, and slightly fruity aroma. From the other side, varieties rich in chamazulene and β-farnesene
have bitter taste, and because of that they are low valuable raw material. According to the results of the
essential oil composition obtained from three different chamomile samples grown in Province of Vojvodina, it
could be concluded that domestic cultivars “Banatska” and “Tetraploidna” contains β-farnesene as dominant
compound, while the content of bisabolol oxides and α-bisabolol was lower than required standards in
European Pharmacopoeia. Because of that they could not be classified as quality raw material. The German
cultivar “Mabamille” grown in agroecological conditions of Vojvodina region, with 37.5% of α-bisabolol can be
classified as a bisabolol rich type, and as high quality row material.
AB  - Kamilica (Matricaria chamomilla L., Asteraceae) je jedna od najpopularnijih lekovitih biljaka koja se 
upotrebljava u obliku infuza (čaja) za lečenje mnogih stanja i bolesti, uključujući poremećaje sna, napetost, probleme organa za varenje itd. Etarsko ulje kamilice se koristi u mnogim granama industrije: hemijskoj (kao dodatak deterdžentima), kozmetičkoj (u sapunima, sredstvima za ličnu higijenu), farmaceutskoj, parfimerijskoj i prehrambenoj industriji (u slatkišima, alkoholnim i bezalkoholnim pićima) i kao insekticid. Prema Evropskoj Farmakopeji, postoje dva tipa etarskog ulja kamilice, prvi koji je bogat bisabolol oksidima i drugi bogat α-bisabololom. Oba tipa su poželjna u industriji čajnih napitaka zbog njihovog slatkog, osvežavajućeg ukusa blago voćne arome. Sa druge strane, varijeteti bogati hamazulenom i β-farnezenom imaju gorak ukus i zbog toga predstavljaju manje vrednu biljnu sirovinu. Na osnovu rezultata hemijskog sastava etarskog ulja tri 
različita uzorka kamilice gajene u Pokrajini Vojvodini od strane individualnih poljoprivrednih proizvođača, može se zaključiti da domaće sorte “Banatska” i “Tetraploidna” sadrže β-farnezen kao dominantnu komponentu, dok je sadržaj bisabolol oksida i α-bisabolola niži nego što zahtevaju standardi u Evropskoj Farmakopeji, zbog čega se ne mogu kategorisati kao kvalitetni biljni materijal. Nemačka sorta “Mabamille” gajena u agroekološkim uslovima pokrajine Vojvodine, sa 37,5% α-bisabolola pripada bisabolol tipu kamilice i predstavlja visoko kvalitetnu sirovinu.
PB  - Novi Sad: Poljoprivredni fakultet
T2  - Letopis naučnih radova Poljoprivrednog fakulteta, Novi Sad
T1  - Essential oil quality of chamomile grown in Province of Vojvodina
VL  - 45
IS  - 1
SP  - 1
EP  - 8
UR  - https://hdl.handle.net/21.15107/rcub_cer_5167
ER  - 
@article{
author = "Aćimović, Milica and Stanković Jeremić, Jovana and Simić, Katarina and Ivanović, Stefan and Ljujić, Jovana and Čabarkapa, Ivana and Radojčin, Milivoj and Todosijević, Marina and Cvetković, Mirjana",
year = "2021",
abstract = "Chamomile (Matricaria chamomilla L., Asteraceae) is one of the most popular medicinal plants used as a herb
infusion for treating numerous ailments, including sleep disorders, anxiety, digestion and intestinal conditions
etc. Chamomile essential oil is used in a wide variety of consumer goods such as detergents, soaps, toiletries,
cosmetics, pharmaceuticals, perfumes, confectionery food products, soft drinks, distilled alcoholic beverages
(hard liquor) and as insecticide. According to the European Pharmacopoeia, there are two types of essential
oils, one rich in bisabolol oxides and the other in α-bisabolol, which are preferred for tea brewing because of
its sweet, grassy, and slightly fruity aroma. From the other side, varieties rich in chamazulene and β-farnesene
have bitter taste, and because of that they are low valuable raw material. According to the results of the
essential oil composition obtained from three different chamomile samples grown in Province of Vojvodina, it
could be concluded that domestic cultivars “Banatska” and “Tetraploidna” contains β-farnesene as dominant
compound, while the content of bisabolol oxides and α-bisabolol was lower than required standards in
European Pharmacopoeia. Because of that they could not be classified as quality raw material. The German
cultivar “Mabamille” grown in agroecological conditions of Vojvodina region, with 37.5% of α-bisabolol can be
classified as a bisabolol rich type, and as high quality row material., Kamilica (Matricaria chamomilla L., Asteraceae) je jedna od najpopularnijih lekovitih biljaka koja se 
upotrebljava u obliku infuza (čaja) za lečenje mnogih stanja i bolesti, uključujući poremećaje sna, napetost, probleme organa za varenje itd. Etarsko ulje kamilice se koristi u mnogim granama industrije: hemijskoj (kao dodatak deterdžentima), kozmetičkoj (u sapunima, sredstvima za ličnu higijenu), farmaceutskoj, parfimerijskoj i prehrambenoj industriji (u slatkišima, alkoholnim i bezalkoholnim pićima) i kao insekticid. Prema Evropskoj Farmakopeji, postoje dva tipa etarskog ulja kamilice, prvi koji je bogat bisabolol oksidima i drugi bogat α-bisabololom. Oba tipa su poželjna u industriji čajnih napitaka zbog njihovog slatkog, osvežavajućeg ukusa blago voćne arome. Sa druge strane, varijeteti bogati hamazulenom i β-farnezenom imaju gorak ukus i zbog toga predstavljaju manje vrednu biljnu sirovinu. Na osnovu rezultata hemijskog sastava etarskog ulja tri 
različita uzorka kamilice gajene u Pokrajini Vojvodini od strane individualnih poljoprivrednih proizvođača, može se zaključiti da domaće sorte “Banatska” i “Tetraploidna” sadrže β-farnezen kao dominantnu komponentu, dok je sadržaj bisabolol oksida i α-bisabolola niži nego što zahtevaju standardi u Evropskoj Farmakopeji, zbog čega se ne mogu kategorisati kao kvalitetni biljni materijal. Nemačka sorta “Mabamille” gajena u agroekološkim uslovima pokrajine Vojvodine, sa 37,5% α-bisabolola pripada bisabolol tipu kamilice i predstavlja visoko kvalitetnu sirovinu.",
publisher = "Novi Sad: Poljoprivredni fakultet",
journal = "Letopis naučnih radova Poljoprivrednog fakulteta, Novi Sad",
title = "Essential oil quality of chamomile grown in Province of Vojvodina",
volume = "45",
number = "1",
pages = "1-8",
url = "https://hdl.handle.net/21.15107/rcub_cer_5167"
}
Aćimović, M., Stanković Jeremić, J., Simić, K., Ivanović, S., Ljujić, J., Čabarkapa, I., Radojčin, M., Todosijević, M.,& Cvetković, M.. (2021). Essential oil quality of chamomile grown in Province of Vojvodina. in Letopis naučnih radova Poljoprivrednog fakulteta, Novi Sad
Novi Sad: Poljoprivredni fakultet., 45(1), 1-8.
https://hdl.handle.net/21.15107/rcub_cer_5167
Aćimović M, Stanković Jeremić J, Simić K, Ivanović S, Ljujić J, Čabarkapa I, Radojčin M, Todosijević M, Cvetković M. Essential oil quality of chamomile grown in Province of Vojvodina. in Letopis naučnih radova Poljoprivrednog fakulteta, Novi Sad. 2021;45(1):1-8.
https://hdl.handle.net/21.15107/rcub_cer_5167 .
Aćimović, Milica, Stanković Jeremić, Jovana, Simić, Katarina, Ivanović, Stefan, Ljujić, Jovana, Čabarkapa, Ivana, Radojčin, Milivoj, Todosijević, Marina, Cvetković, Mirjana, "Essential oil quality of chamomile grown in Province of Vojvodina" in Letopis naučnih radova Poljoprivrednog fakulteta, Novi Sad, 45, no. 1 (2021):1-8,
https://hdl.handle.net/21.15107/rcub_cer_5167 .

GC-MS-based metabolomics for the detection of adulteration in oregano samples

Ivanović, Stefan; Mandrone, Manuela; Simić, Katarina; Ristić, Mirjana; Todosijević, Marina; Mandić, Boris; Gođevac, Dejan

(Serbian Chemical Society, 2021)

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 . .
3

GC-FID-MS Based Metabolomics to Access Plum Brandy Quality

Ivanović, Stefan; Simić, Katarina; Tešević, Vele; Vujisić, Ljubodrag V.; Ljekočević, Marko; Gođevac, Dejan

(MDPI, 2021)

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 . .
14
1
11

Ft-IR spectroscopy as a simple tool for rapid solution of various problems

Anđelković, Boban; Sofrenić, Ivana; Ljujić, Jovana; Simić, Katarina; Ivanović, Stefan; Gođevac, Dejan; Tešević, Vele

(Societat Catalana de Química (SCQ) (Catalan Chemical Society), 2021)

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 .

Chemical characterization of marrubium vulgare volatiles from Serbia

Aćimović, Milica G.; Ivanović, Stefan; Simić, Katarina; Pezo, Lato; Zeremski, Tijana; Ovuka, Jelena S.; Sikora, Vladimir Š.

(MDPI, 2021)

TY  - JOUR
AU  - Aćimović, Milica G.
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Pezo, Lato
AU  - Zeremski, Tijana
AU  - Ovuka, Jelena S.
AU  - Sikora, Vladimir Š.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4601
AB  - Marrubium vulgare is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from Serbia during two investigated years (2019 and 2020). The main components were E-caryophyllene, followed by germacrene D, α-humulene and α-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of Marrubium sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes: E-caryophyllene, β-bisabolene, α-pinene, β-farnesene, E-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from M. vulgare volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high r2 .
PB  - MDPI
T2  - Plants
T1  - Chemical characterization of marrubium vulgare volatiles from Serbia
VL  - 10
IS  - 3
SP  - 600
DO  - 10.3390/plants10030600
ER  - 
@article{
author = "Aćimović, Milica G. and Ivanović, Stefan and Simić, Katarina and Pezo, Lato and Zeremski, Tijana and Ovuka, Jelena S. and Sikora, Vladimir Š.",
year = "2021",
abstract = "Marrubium vulgare is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from Serbia during two investigated years (2019 and 2020). The main components were E-caryophyllene, followed by germacrene D, α-humulene and α-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of Marrubium sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes: E-caryophyllene, β-bisabolene, α-pinene, β-farnesene, E-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from M. vulgare volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high r2 .",
publisher = "MDPI",
journal = "Plants",
title = "Chemical characterization of marrubium vulgare volatiles from Serbia",
volume = "10",
number = "3",
pages = "600",
doi = "10.3390/plants10030600"
}
Aćimović, M. G., Ivanović, S., Simić, K., Pezo, L., Zeremski, T., Ovuka, J. S.,& Sikora, V. Š.. (2021). Chemical characterization of marrubium vulgare volatiles from Serbia. in Plants
MDPI., 10(3), 600.
https://doi.org/10.3390/plants10030600
Aćimović MG, Ivanović S, Simić K, Pezo L, Zeremski T, Ovuka JS, Sikora VŠ. Chemical characterization of marrubium vulgare volatiles from Serbia. in Plants. 2021;10(3):600.
doi:10.3390/plants10030600 .
Aćimović, Milica G., Ivanović, Stefan, Simić, Katarina, Pezo, Lato, Zeremski, Tijana, Ovuka, Jelena S., Sikora, Vladimir Š., "Chemical characterization of marrubium vulgare volatiles from Serbia" in Plants, 10, no. 3 (2021):600,
https://doi.org/10.3390/plants10030600 . .
7
8

Phytochemical study of the genus amphoricarpos

Đorđević, Iris; Cvetković, Mirjana; Jadranin, Milka; Bojović, Srdjan; Andjelković, Boban; Sofrenić, Ivana; Simić, Katarina

(Serbian Chemical Society, 2021)

TY  - JOUR
AU  - Đorđević, Iris
AU  - Cvetković, Mirjana
AU  - Jadranin, Milka
AU  - Bojović, Srdjan
AU  - Andjelković, Boban
AU  - Sofrenić, Ivana
AU  - Simić, Katarina
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4907
AB  - Phytochemistry deals with the study of secondary metabolites pro­duced by plants that synthesize these compounds for many reasons, including their own protection against attack of herbivores and plant diseases. Secondary metabolites are believed to represent plant adaptation to various environmental factors and that they enabled the survival of the species. Secondary metabolites of plants can have curative or toxic effects in humans and animals. Herbal medicine has a long tradition in folk medicine and until the early 20th century, when synthetic organic chemistry began to develop, plants were the main source of medicines. The two basic goals of our phytochemical research are: isolation and identification of new (biologically active) compounds – potential drugs, and chemotaxonomy (chemo­systematics). In the following text through one selected example, the genus Amphoricarpos Vis., our phytochemical res­earch is shown on both aspects.
AB  - Фитохемија се бави изучавањем секундарних метаболита кoje биљке синтетишу из много разлога, укључујући сопствену заштиту од напада биљоједа и од биљних болести. Сматра се да секундарни метаболити представљају адаптацију биљака на различите факторе околине и да су управо они омогућили опстанак врста. Секундарни метаболити биљака могу испољити лековито или токсично дејство на људе и животиње. Лечење биљем има дугу традицију у народној медицини и све до почетка 20. века, када је почела да се развија синтетичка органска хемија, биљке су биле главни извор лекова. Основни циљеви наших фитохемијских истраживања обухватају: изоловање и идентификацију нових (биолошки активних) једињења – потенцијалних лекова, и хемотаксономију (хемосистематика). У тексту су кроз један одабран пример – род Amphoricarpos Vis. – приказана оба наведена аспекта наших фитохемијских истраживања.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Phytochemical study of the genus amphoricarpos
T1  - Фитохемијско истраживање биљног рода Amphoricarpos
VL  - 86
IS  - 12
SP  - 1177
EP  - 1193
DO  - 10.2298/JSC210726083D
ER  - 
@article{
author = "Đorđević, Iris and Cvetković, Mirjana and Jadranin, Milka and Bojović, Srdjan and Andjelković, Boban and Sofrenić, Ivana and Simić, Katarina",
year = "2021",
abstract = "Phytochemistry deals with the study of secondary metabolites pro­duced by plants that synthesize these compounds for many reasons, including their own protection against attack of herbivores and plant diseases. Secondary metabolites are believed to represent plant adaptation to various environmental factors and that they enabled the survival of the species. Secondary metabolites of plants can have curative or toxic effects in humans and animals. Herbal medicine has a long tradition in folk medicine and until the early 20th century, when synthetic organic chemistry began to develop, plants were the main source of medicines. The two basic goals of our phytochemical research are: isolation and identification of new (biologically active) compounds – potential drugs, and chemotaxonomy (chemo­systematics). In the following text through one selected example, the genus Amphoricarpos Vis., our phytochemical res­earch is shown on both aspects., Фитохемија се бави изучавањем секундарних метаболита кoje биљке синтетишу из много разлога, укључујући сопствену заштиту од напада биљоједа и од биљних болести. Сматра се да секундарни метаболити представљају адаптацију биљака на различите факторе околине и да су управо они омогућили опстанак врста. Секундарни метаболити биљака могу испољити лековито или токсично дејство на људе и животиње. Лечење биљем има дугу традицију у народној медицини и све до почетка 20. века, када је почела да се развија синтетичка органска хемија, биљке су биле главни извор лекова. Основни циљеви наших фитохемијских истраживања обухватају: изоловање и идентификацију нових (биолошки активних) једињења – потенцијалних лекова, и хемотаксономију (хемосистематика). У тексту су кроз један одабран пример – род Amphoricarpos Vis. – приказана оба наведена аспекта наших фитохемијских истраживања.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Phytochemical study of the genus amphoricarpos, Фитохемијско истраживање биљног рода Amphoricarpos",
volume = "86",
number = "12",
pages = "1177-1193",
doi = "10.2298/JSC210726083D"
}
Đorđević, I., Cvetković, M., Jadranin, M., Bojović, S., Andjelković, B., Sofrenić, I.,& Simić, K.. (2021). Phytochemical study of the genus amphoricarpos. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 86(12), 1177-1193.
https://doi.org/10.2298/JSC210726083D
Đorđević I, Cvetković M, Jadranin M, Bojović S, Andjelković B, Sofrenić I, Simić K. Phytochemical study of the genus amphoricarpos. in Journal of the Serbian Chemical Society. 2021;86(12):1177-1193.
doi:10.2298/JSC210726083D .
Đorđević, Iris, Cvetković, Mirjana, Jadranin, Milka, Bojović, Srdjan, Andjelković, Boban, Sofrenić, Ivana, Simić, Katarina, "Phytochemical study of the genus amphoricarpos" in Journal of the Serbian Chemical Society, 86, no. 12 (2021):1177-1193,
https://doi.org/10.2298/JSC210726083D . .
1

Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools

Aćimović, Milica; Pezo, Lato; Ivanović, Stefan; Simić, Katarina; Ljujić, Jovana

(Niš, Serbia : Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš, 2020)

TY  - JOUR
AU  - Aćimović, Milica
AU  - Pezo, Lato
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Ljujić, Jovana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7234
AB  - The aim of this study was to predict the retention indices of chemical compounds found in the
aerial parts of Origanum vulgare subsp. vulgare essential oil, obtained by hydrodistillation and
analyzed by GC-MS. A total number of 28 compounds were detected in the essential oil. The
compounds with the highest relative concentrations were germacrene D (21.5%), 1,8-cineole
(14.2%), sabinene (14.0%) and trans-caryophyllene (13.4%). The retention time was predicted by
using the quantitative structure–retention relationship, using seven molecular descriptors chosen
by factor analysis and genetic algorithm. The chosen descriptors were mutually uncorrelated, and
they were used to develop an artificial neural network model. A total number of 28 experimentally
obtained retention indices (log RI) were used to set up a predictive quantitative structure-retention
relationship model. The coefficient of determination for the training cycle was 0.998, indicating
that this model could be used for predicting retention indices for O. vulgare subsp. vulgare
essential oil compounds.
PB  - Niš, Serbia : Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš
T2  - Chemia Naissensis
T1  - Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools
VL  - 3
IS  - 2
SP  - 100
EP  - 112
DO  - 10.46793/ChemN3.2.100A
ER  - 
@article{
author = "Aćimović, Milica and Pezo, Lato and Ivanović, Stefan and Simić, Katarina and Ljujić, Jovana",
year = "2020",
abstract = "The aim of this study was to predict the retention indices of chemical compounds found in the
aerial parts of Origanum vulgare subsp. vulgare essential oil, obtained by hydrodistillation and
analyzed by GC-MS. A total number of 28 compounds were detected in the essential oil. The
compounds with the highest relative concentrations were germacrene D (21.5%), 1,8-cineole
(14.2%), sabinene (14.0%) and trans-caryophyllene (13.4%). The retention time was predicted by
using the quantitative structure–retention relationship, using seven molecular descriptors chosen
by factor analysis and genetic algorithm. The chosen descriptors were mutually uncorrelated, and
they were used to develop an artificial neural network model. A total number of 28 experimentally
obtained retention indices (log RI) were used to set up a predictive quantitative structure-retention
relationship model. The coefficient of determination for the training cycle was 0.998, indicating
that this model could be used for predicting retention indices for O. vulgare subsp. vulgare
essential oil compounds.",
publisher = "Niš, Serbia : Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš",
journal = "Chemia Naissensis",
title = "Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools",
volume = "3",
number = "2",
pages = "100-112",
doi = "10.46793/ChemN3.2.100A"
}
Aćimović, M., Pezo, L., Ivanović, S., Simić, K.,& Ljujić, J.. (2020). Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools. in Chemia Naissensis
Niš, Serbia : Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš., 3(2), 100-112.
https://doi.org/10.46793/ChemN3.2.100A
Aćimović M, Pezo L, Ivanović S, Simić K, Ljujić J. Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools. in Chemia Naissensis. 2020;3(2):100-112.
doi:10.46793/ChemN3.2.100A .
Aćimović, Milica, Pezo, Lato, Ivanović, Stefan, Simić, Katarina, Ljujić, Jovana, "Essential oil profile of Origanum vulgare subsp. vulgare native population from Rtanj via chemometrics tools" in Chemia Naissensis, 3, no. 2 (2020):100-112,
https://doi.org/10.46793/ChemN3.2.100A . .