TY  - JOUR
AU  - Ilić, Marko
AU  - Pastor, Kristian
AU  - Ilić, Aleksandra
AU  - Vasić, Mirjana
AU  - Nastić, Nataša
AU  - Vujić, Đura
AU  - Ačanski, Marijana
PY  - 2023
UR  - http://fiver.ifvcns.rs/handle/123456789/4219
AB  - This study presents a tentative analysis of the lipid composition of 47 legume samples, encompassing species such as Phaseolus spp., Vicia spp., Pisum spp., and Lathyrus spp. Lipid extraction and GC/MS (gas chromatography with mass spectrometric detection) analysis were conducted, followed by multivariate statistical methods for data interpretation. Hierarchical Cluster Analysis (HCA) revealed two major clusters, distinguishing beans and snap beans (Phaseolus spp.) from faba beans (Vicia faba), peas (Pisum sativum), and grass peas (Lathyrus sativus). Principal Component Analysis (PCA) yielded 2D and 3D score plots, effectively discriminating legume species. Linear Discriminant Analysis (LDA) achieved a 100% accurate classification of the training set and a 90% accuracy of the test set. The lipid-based fingerprinting elucidated compounds crucial for discrimination. Both PCA and LDA biplots highlighted squalene and fatty acid methyl esters (FAMEs) of 9,12,15-octadecatrienoic acid (C18:3) and 5,11,14,17-eicosatetraenoic acid (C20:4) as influential in the clustering of beans and snap beans. Unique compounds, including 13-docosenoic acid (C22:1) and γ-tocopherol, O-methyl-, characterized grass pea samples. Faba bean samples were discriminated by FAMEs of heneicosanoic acid (C21:0) and oxiraneoctanoic acid, 3-octyl- (C18-ox). However, C18-ox was also found in pea samples, but in significantly lower amounts. This research demonstrates the efficacy of lipid analysis coupled with multivariate statistics for accurate differentiation and classification of legumes, according to their botanical origins.
PB  - Basel : MDPI
T2  - Foods - Basel
T1  - Legume Fingerprinting through Lipid Composition: Utilizing GC/MS with Multivariate Statistics
IS  - 24
SP  - 4420
VL  - 12
DO  - 10.3390/foods12244420
ER  - 

@article{
author = "Ilić, Marko and Pastor, Kristian and Ilić, Aleksandra and Vasić, Mirjana and Nastić, Nataša and Vujić, Đura and Ačanski, Marijana",
year = "2023",
abstract = "This study presents a tentative analysis of the lipid composition of 47 legume samples, encompassing species such as Phaseolus spp., Vicia spp., Pisum spp., and Lathyrus spp. Lipid extraction and GC/MS (gas chromatography with mass spectrometric detection) analysis were conducted, followed by multivariate statistical methods for data interpretation. Hierarchical Cluster Analysis (HCA) revealed two major clusters, distinguishing beans and snap beans (Phaseolus spp.) from faba beans (Vicia faba), peas (Pisum sativum), and grass peas (Lathyrus sativus). Principal Component Analysis (PCA) yielded 2D and 3D score plots, effectively discriminating legume species. Linear Discriminant Analysis (LDA) achieved a 100% accurate classification of the training set and a 90% accuracy of the test set. The lipid-based fingerprinting elucidated compounds crucial for discrimination. Both PCA and LDA biplots highlighted squalene and fatty acid methyl esters (FAMEs) of 9,12,15-octadecatrienoic acid (C18:3) and 5,11,14,17-eicosatetraenoic acid (C20:4) as influential in the clustering of beans and snap beans. Unique compounds, including 13-docosenoic acid (C22:1) and γ-tocopherol, O-methyl-, characterized grass pea samples. Faba bean samples were discriminated by FAMEs of heneicosanoic acid (C21:0) and oxiraneoctanoic acid, 3-octyl- (C18-ox). However, C18-ox was also found in pea samples, but in significantly lower amounts. This research demonstrates the efficacy of lipid analysis coupled with multivariate statistics for accurate differentiation and classification of legumes, according to their botanical origins.",
publisher = "Basel : MDPI",
journal = "Foods - Basel",
title = "Legume Fingerprinting through Lipid Composition: Utilizing GC/MS with Multivariate Statistics",
number = "24",
pages = "4420",
volume = "12",
doi = "10.3390/foods12244420"
}

Ilić, M., Pastor, K., Ilić, A., Vasić, M., Nastić, N., Vujić, Đ.,& Ačanski, M.. (2023). Legume Fingerprinting through Lipid Composition: Utilizing GC/MS with Multivariate Statistics. in Foods - Basel
Basel : MDPI., 12(24), 4420.
https://doi.org/10.3390/foods12244420

Ilić M, Pastor K, Ilić A, Vasić M, Nastić N, Vujić Đ, Ačanski M. Legume Fingerprinting through Lipid Composition: Utilizing GC/MS with Multivariate Statistics. in Foods - Basel. 2023;12(24):4420.
doi:10.3390/foods12244420 .

Ilić, Marko, Pastor, Kristian, Ilić, Aleksandra, Vasić, Mirjana, Nastić, Nataša, Vujić, Đura, Ačanski, Marijana, "Legume Fingerprinting through Lipid Composition: Utilizing GC/MS with Multivariate Statistics" in Foods - Basel, 12, no. 24 (2023):4420,
https://doi.org/10.3390/foods12244420 . .

TY  - CONF
AU  - Ilić, Marko
AU  - Pastor, Kristian
AU  - Marjanović-Jeromela, Ana
AU  - Romanić, Ranko
AU  - Miklič, Vladimir
AU  - Vujić, Đura
AU  - Ačanski, Marijana
PY  - 2022
UR  - http://fiver.ifvcns.rs/handle/123456789/3267
AB  - Vegetable oils have different sensory, physico-chemical and nutritive characteristics and shelf life, which is why the use of only one vegetable oil in diet is often not sufficient. Oil blending represents a very simple way to employ various characteristic properties of a large number of vegetable oils and is also an economical way to change sensory, physicochemical and nutritive characteristics and improve oxidative stability. Blending of various vegetable oils can change the fatty acid compositions and provide a higher content and different composition of natural antioxidants and bioactive lipids, thereby improving the nutritive value and stability, i.e. shelf life of the obtained oil. Sunflower oil is one of the top five edible oils in the world, having a full priority in Serbia, due to the high availability of raw materials over others. Due to the presence of essential linoleic (omega 6) fatty acid and alpha-tocopherol (vitamin E), it has a high nutritive value, while due to its extremely good nutritive characteristics and the presence of bioactive components, such as essential alpha-linolenic (omega 3) fatty acid, flaxseed oil has been increasingly used in the diet in recent years. The aim of this paper is to determine the possibility of applying a gas chromatography device with a mass spectrometric detector (GC-MS) coupled to a newly developed mathematical model to determine the proportion of individual oils in blended oils. Nine blended oils with different proportions (0-100% w/w) of refined sunflower oil and cold pressed flaxseed oil, as well as pure refined sunflower oil and cold pressed flaxseed oil, were prepared and analyzed by GC-MS._The peaks of the molecular ions of specific fatty acids were integrated. Based on the surface areas of these peaks, a novel mathematical model was developed to determine the proportion of individual oils in the blends. All obtained experimental values are consistent with the actual mass fractions of individual oils in the oil blends. Very high correlation coefficient of 0.9964 between experimentally determined and actual proportions of individual oils in blends is an indicator of the applicability of the developed method presented in this work.
PB  - Paris : International Sunflower Association
PB  - Novi Sad : Institute of Field and Vegetable Crops
C3  - Proceedings, 20th International Sunflower Conference, 20-23 June 2022, Novi Sad, Serbia
T1  - A Novel Method of Determination of Individual Oil Content in Sunflower and Flaxseed Oil Blends
EP  - 188
SP  - 188
UR  - https://hdl.handle.net/21.15107/rcub_fiver_3267
ER  - 

@conference{
author = "Ilić, Marko and Pastor, Kristian and Marjanović-Jeromela, Ana and Romanić, Ranko and Miklič, Vladimir and Vujić, Đura and Ačanski, Marijana",
year = "2022",
abstract = "Vegetable oils have different sensory, physico-chemical and nutritive characteristics and shelf life, which is why the use of only one vegetable oil in diet is often not sufficient. Oil blending represents a very simple way to employ various characteristic properties of a large number of vegetable oils and is also an economical way to change sensory, physicochemical and nutritive characteristics and improve oxidative stability. Blending of various vegetable oils can change the fatty acid compositions and provide a higher content and different composition of natural antioxidants and bioactive lipids, thereby improving the nutritive value and stability, i.e. shelf life of the obtained oil. Sunflower oil is one of the top five edible oils in the world, having a full priority in Serbia, due to the high availability of raw materials over others. Due to the presence of essential linoleic (omega 6) fatty acid and alpha-tocopherol (vitamin E), it has a high nutritive value, while due to its extremely good nutritive characteristics and the presence of bioactive components, such as essential alpha-linolenic (omega 3) fatty acid, flaxseed oil has been increasingly used in the diet in recent years. The aim of this paper is to determine the possibility of applying a gas chromatography device with a mass spectrometric detector (GC-MS) coupled to a newly developed mathematical model to determine the proportion of individual oils in blended oils. Nine blended oils with different proportions (0-100% w/w) of refined sunflower oil and cold pressed flaxseed oil, as well as pure refined sunflower oil and cold pressed flaxseed oil, were prepared and analyzed by GC-MS._The peaks of the molecular ions of specific fatty acids were integrated. Based on the surface areas of these peaks, a novel mathematical model was developed to determine the proportion of individual oils in the blends. All obtained experimental values are consistent with the actual mass fractions of individual oils in the oil blends. Very high correlation coefficient of 0.9964 between experimentally determined and actual proportions of individual oils in blends is an indicator of the applicability of the developed method presented in this work.",
publisher = "Paris : International Sunflower Association, Novi Sad : Institute of Field and Vegetable Crops",
journal = "Proceedings, 20th International Sunflower Conference, 20-23 June 2022, Novi Sad, Serbia",
title = "A Novel Method of Determination of Individual Oil Content in Sunflower and Flaxseed Oil Blends",
pages = "188-188",
url = "https://hdl.handle.net/21.15107/rcub_fiver_3267"
}

Ilić, M., Pastor, K., Marjanović-Jeromela, A., Romanić, R., Miklič, V., Vujić, Đ.,& Ačanski, M.. (2022). A Novel Method of Determination of Individual Oil Content in Sunflower and Flaxseed Oil Blends. in Proceedings, 20th International Sunflower Conference, 20-23 June 2022, Novi Sad, Serbia
Paris : International Sunflower Association., 188-188.
https://hdl.handle.net/21.15107/rcub_fiver_3267

Ilić M, Pastor K, Marjanović-Jeromela A, Romanić R, Miklič V, Vujić Đ, Ačanski M. A Novel Method of Determination of Individual Oil Content in Sunflower and Flaxseed Oil Blends. in Proceedings, 20th International Sunflower Conference, 20-23 June 2022, Novi Sad, Serbia. 2022;:188-188.
https://hdl.handle.net/21.15107/rcub_fiver_3267 .

Ilić, Marko, Pastor, Kristian, Marjanović-Jeromela, Ana, Romanić, Ranko, Miklič, Vladimir, Vujić, Đura, Ačanski, Marijana, "A Novel Method of Determination of Individual Oil Content in Sunflower and Flaxseed Oil Blends" in Proceedings, 20th International Sunflower Conference, 20-23 June 2022, Novi Sad, Serbia (2022):188-188,
https://hdl.handle.net/21.15107/rcub_fiver_3267 .

TY  - CONF
AU  - Ilić, Marko
AU  - Pastor, Kristian
AU  - Marjanović-Jeromela, Ana
AU  - Romanić, Ranko
AU  - Vujić, Đura
AU  - Ačanski, Marijana
PY  - 2021
UR  - http://fiver.ifvcns.rs/handle/123456789/2160
AB  - Food authentication is the process by which a food product is verified as complying with its label description. The characterization and authentication of oils and fats is a subject of great importance for market and health aspects. The aim of this paper was to determine the possibility of applying a gas chromatography device with a mass spectrometric detector (GC-MS) coupled to a newly developed mathematical model to determine the proportion of individual oils in simulated blended oil samples.
AB  - Autentifikacija hrane je postupak kojim se potvrđuje usaglašenost prehrambenog proizvoda sa 
njegovim opisom na etiketi. Karakterizacija i autentifikacija ulja i masti je tema od velike važnosti 
sa tržišnog i zdravstvenog aspekta. Cilj ovog rada bio je da se utvrdi mogućnost primene uređaja za gasnu hromatografiju sa masenim spektrometrom kao detektorom (GC-MS) i novorazvijenog matematičkog modela za određivanje udela pojedinačnih ulja u simuliranim uzorcima smeša ulja.
PB  - Novi Sad : Nacionalno društvo za procesnu tehniku i energetiku u poljoprivredi
C3  - Book of abstracts, 7th International conference sustainable postharvest and food technologies - INOPTEP 2021, 18-23. april 2021, Vršac, Serbia
T1  - A new method for the proportion estimation in edible oil blends: sunflower and rapeseed oil
T1  - Novi metod procene sastava smeša jestivih ulja: ulje suncokreta i uljane repice
EP  - 41
SP  - 40
UR  - https://hdl.handle.net/21.15107/rcub_fiver_2160
ER  - 

@conference{
author = "Ilić, Marko and Pastor, Kristian and Marjanović-Jeromela, Ana and Romanić, Ranko and Vujić, Đura and Ačanski, Marijana",
year = "2021",
abstract = "Food authentication is the process by which a food product is verified as complying with its label description. The characterization and authentication of oils and fats is a subject of great importance for market and health aspects. The aim of this paper was to determine the possibility of applying a gas chromatography device with a mass spectrometric detector (GC-MS) coupled to a newly developed mathematical model to determine the proportion of individual oils in simulated blended oil samples., Autentifikacija hrane je postupak kojim se potvrđuje usaglašenost prehrambenog proizvoda sa 
njegovim opisom na etiketi. Karakterizacija i autentifikacija ulja i masti je tema od velike važnosti 
sa tržišnog i zdravstvenog aspekta. Cilj ovog rada bio je da se utvrdi mogućnost primene uređaja za gasnu hromatografiju sa masenim spektrometrom kao detektorom (GC-MS) i novorazvijenog matematičkog modela za određivanje udela pojedinačnih ulja u simuliranim uzorcima smeša ulja.",
publisher = "Novi Sad : Nacionalno društvo za procesnu tehniku i energetiku u poljoprivredi",
journal = "Book of abstracts, 7th International conference sustainable postharvest and food technologies - INOPTEP 2021, 18-23. april 2021, Vršac, Serbia",
title = "A new method for the proportion estimation in edible oil blends: sunflower and rapeseed oil, Novi metod procene sastava smeša jestivih ulja: ulje suncokreta i uljane repice",
pages = "41-40",
url = "https://hdl.handle.net/21.15107/rcub_fiver_2160"
}

Ilić, M., Pastor, K., Marjanović-Jeromela, A., Romanić, R., Vujić, Đ.,& Ačanski, M.. (2021). A new method for the proportion estimation in edible oil blends: sunflower and rapeseed oil. in Book of abstracts, 7th International conference sustainable postharvest and food technologies - INOPTEP 2021, 18-23. april 2021, Vršac, Serbia
Novi Sad : Nacionalno društvo za procesnu tehniku i energetiku u poljoprivredi., 40-41.
https://hdl.handle.net/21.15107/rcub_fiver_2160

Ilić M, Pastor K, Marjanović-Jeromela A, Romanić R, Vujić Đ, Ačanski M. A new method for the proportion estimation in edible oil blends: sunflower and rapeseed oil. in Book of abstracts, 7th International conference sustainable postharvest and food technologies - INOPTEP 2021, 18-23. april 2021, Vršac, Serbia. 2021;:40-41.
https://hdl.handle.net/21.15107/rcub_fiver_2160 .

Ilić, Marko, Pastor, Kristian, Marjanović-Jeromela, Ana, Romanić, Ranko, Vujić, Đura, Ačanski, Marijana, "A new method for the proportion estimation in edible oil blends: sunflower and rapeseed oil" in Book of abstracts, 7th International conference sustainable postharvest and food technologies - INOPTEP 2021, 18-23. april 2021, Vršac, Serbia (2021):40-41,
https://hdl.handle.net/21.15107/rcub_fiver_2160 .

TY  - JOUR
AU  - Pastor, Kristian
AU  - Vujasinović, Vesna
AU  - Marjanović-Jeromela, Ana
AU  - Vujić, Đura
AU  - Jovanović, Đorđe
AU  - Ačanski, Marijana
PY  - 2019
UR  - http://fiver.ifvcns.rs/handle/123456789/1884
AB  - This study represents a new strategy for discrimination of 59 samples of various cold-pressed, virgin and refined edible vegetable oils according to the corresponding botanical origin. Samples were produced from 17 plant species: olive, sunflower, safflower, flax, pumpkin, sesame, hemp, walnut, hazelnut, almond, grape, black cumin, apricot, plum, soybean, wheat and rapeseed. A GC/MS device performing in a ion current (IC) mode, combined with multivariate clustering, was employed in the analysis. Derivatization reaction occurred in the injector of a gas chromatograph. The discriminations between species were based on marker-peaks of 9 molecular ions of dominant fatty acid methyl esters (FAMEs), which were chosen as descriptors: m/z 268, 270, 292, 294, 296, 298, 324, 326 and 354. Dendrogram obtained after performing cluster analysis shows clear discriminations of the analyzed samples, based on the belonging botanical origin. These results demonstrate that IC-GC/MS approach with cluster analysis could be a useful tool in rapid screening for botanical origin of commercial samples of various edible vegetable oils.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of The Serbian Chemical Society
T1  - Gas chromatography-mass spectrometry system applied to determine botanical origin of various types of edible vegetable oils
EP  - 1025
IS  - 9
SP  - 1017
VL  - 84
DO  - 10.2298/JSC180719109P
ER  - 

@article{
author = "Pastor, Kristian and Vujasinović, Vesna and Marjanović-Jeromela, Ana and Vujić, Đura and Jovanović, Đorđe and Ačanski, Marijana",
year = "2019",
abstract = "This study represents a new strategy for discrimination of 59 samples of various cold-pressed, virgin and refined edible vegetable oils according to the corresponding botanical origin. Samples were produced from 17 plant species: olive, sunflower, safflower, flax, pumpkin, sesame, hemp, walnut, hazelnut, almond, grape, black cumin, apricot, plum, soybean, wheat and rapeseed. A GC/MS device performing in a ion current (IC) mode, combined with multivariate clustering, was employed in the analysis. Derivatization reaction occurred in the injector of a gas chromatograph. The discriminations between species were based on marker-peaks of 9 molecular ions of dominant fatty acid methyl esters (FAMEs), which were chosen as descriptors: m/z 268, 270, 292, 294, 296, 298, 324, 326 and 354. Dendrogram obtained after performing cluster analysis shows clear discriminations of the analyzed samples, based on the belonging botanical origin. These results demonstrate that IC-GC/MS approach with cluster analysis could be a useful tool in rapid screening for botanical origin of commercial samples of various edible vegetable oils.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of The Serbian Chemical Society",
title = "Gas chromatography-mass spectrometry system applied to determine botanical origin of various types of edible vegetable oils",
pages = "1025-1017",
number = "9",
volume = "84",
doi = "10.2298/JSC180719109P"
}

Pastor, K., Vujasinović, V., Marjanović-Jeromela, A., Vujić, Đ., Jovanović, Đ.,& Ačanski, M.. (2019). Gas chromatography-mass spectrometry system applied to determine botanical origin of various types of edible vegetable oils. in Journal of The Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 84(9), 1017-1025.
https://doi.org/10.2298/JSC180719109P

Pastor K, Vujasinović V, Marjanović-Jeromela A, Vujić Đ, Jovanović Đ, Ačanski M. Gas chromatography-mass spectrometry system applied to determine botanical origin of various types of edible vegetable oils. in Journal of The Serbian Chemical Society. 2019;84(9):1017-1025.
doi:10.2298/JSC180719109P .

Pastor, Kristian, Vujasinović, Vesna, Marjanović-Jeromela, Ana, Vujić, Đura, Jovanović, Đorđe, Ačanski, Marijana, "Gas chromatography-mass spectrometry system applied to determine botanical origin of various types of edible vegetable oils" in Journal of The Serbian Chemical Society, 84, no. 9 (2019):1017-1025,
https://doi.org/10.2298/JSC180719109P . .

TY  - JOUR
AU  - Pastor, Kristian
AU  - Ačanski, Marijana
AU  - Vujić, Đura
AU  - Kondić-Špika, Ankica
PY  - 2017
UR  - http://fiver.ifvcns.rs/handle/123456789/1641
AB  - Cultivars of small grain species: wheat (Triticum aestivum), rye (Secale cereale) and triticale (Triticosecale) were selected because of their specific biochemical composition of carbohydrates for gas chromatographic analysis. Samples were grounded to flour and extracted with 96% ethanol solution. Extracted mono- and disaccharides were first derivatized into corresponding trimethylsilyl-oximes (TMSO) and analyzed on a GC/EI-qMS device. Four eluting peaks at specific retention times (18.57 min, 18.80 min, 20.85 min, and 21.39 min), were identified as trimethylsilyl-oximes of turanose, melibiose and two peaks of sucrose using Wiley 275 and NIST 14 mass spectra libraries, and were further selected as discrimination factors. Their presence/absence in certain small grain cultivar was labeled with 1/0 thus creating binary numerical matrices, introduced into multivariate analysis. Exploratory data analysis techniques were applied, thus providing a successful background for wheat, rye and triticale species differentiation, regardless of the specific cultivar they belong to, avoiding quantitative determinations of defined discrimination markers. Higher similarities between wheat and triticale cultivars, in comparison with rye species, may be due to the fact that most of the triticale genome structure originates from wheat species.
AB  - Sorte strnih žita: pšenice (Triticum aestivum), raži (Secale cereale) i tritikalea (Triticosecale), analizirane su primenom sistema gasne hromatografije sa maseno-spektrometrijskom detekcijom zbog specifičnog biohemijskog sastava ugljenih hidrata. Uzorci su prvo samleveni u brašno, a potom ekstrahovani 96%-tnim rastvorom etanola. Ekstrahovani disaharidi su zatim derivatizovani u odgovarajuće trimetilsilil-oksime i analizirani pomoću GC/EI-qMS uređaja. Bibliotečkim pretraživanjem Wiley 275 i NIST 14 baza masenih spektara četiri eluirajuća pika, sa specifičnim vremenima retencije (18,57 min, 18,80 min, 20,85 min, i 21,39 min), identifikovana su kao trimetilsilil-oksimi turanoze, melibioze i saharoze, i odabrana kao diskriminirajući faktori. Njihovo prisustvo, odnosno, odsustvo u određenim sortama strnih žita označeno je sa '1', odnosno, '0', kreirajući pritom binarne numeričke matrice, koje su podvrgnute multivarijantnoj analizi. Primenjene istraživačke tehnike analize podataka pružile su dobru osnovu za diferencijaciju pšenice, raži i tritikalea, bez obzira na specifičnu sortu kojoj pripadaju, izbegavajući pritom kvantitativnu analizu definisanih markera diskriminacije. Pretpostavlja se da uočena izraženija sličnost između sorti pšenice i tritikalea, u odnosu na raž, može biti rezultat činjenice da najveći deo strukture genoma sorti tritikalea vodi poreklo upravo od sorti pšenice.
PB  - Institut za ratarstvo i povrtarstvo, Novi Sad
T2  - Ratarstvo i povrtarstvo / Field and Vegetable Crops Research
T1  - Relationship between GC/EI-qMS disaccharide profiles and corresponding genomes of wheat, rye and triticale cultivars
T1  - Povezanost disaharidnih profila odredenih GC/EI-qMS sistemom sa genomima sorti pšenice, raži i tritikalea
EP  - 78
IS  - 2
SP  - 73
VL  - 54
DO  - 10.5937/ratpov54-13405
ER  - 

@article{
author = "Pastor, Kristian and Ačanski, Marijana and Vujić, Đura and Kondić-Špika, Ankica",
year = "2017",
abstract = "Cultivars of small grain species: wheat (Triticum aestivum), rye (Secale cereale) and triticale (Triticosecale) were selected because of their specific biochemical composition of carbohydrates for gas chromatographic analysis. Samples were grounded to flour and extracted with 96% ethanol solution. Extracted mono- and disaccharides were first derivatized into corresponding trimethylsilyl-oximes (TMSO) and analyzed on a GC/EI-qMS device. Four eluting peaks at specific retention times (18.57 min, 18.80 min, 20.85 min, and 21.39 min), were identified as trimethylsilyl-oximes of turanose, melibiose and two peaks of sucrose using Wiley 275 and NIST 14 mass spectra libraries, and were further selected as discrimination factors. Their presence/absence in certain small grain cultivar was labeled with 1/0 thus creating binary numerical matrices, introduced into multivariate analysis. Exploratory data analysis techniques were applied, thus providing a successful background for wheat, rye and triticale species differentiation, regardless of the specific cultivar they belong to, avoiding quantitative determinations of defined discrimination markers. Higher similarities between wheat and triticale cultivars, in comparison with rye species, may be due to the fact that most of the triticale genome structure originates from wheat species., Sorte strnih žita: pšenice (Triticum aestivum), raži (Secale cereale) i tritikalea (Triticosecale), analizirane su primenom sistema gasne hromatografije sa maseno-spektrometrijskom detekcijom zbog specifičnog biohemijskog sastava ugljenih hidrata. Uzorci su prvo samleveni u brašno, a potom ekstrahovani 96%-tnim rastvorom etanola. Ekstrahovani disaharidi su zatim derivatizovani u odgovarajuće trimetilsilil-oksime i analizirani pomoću GC/EI-qMS uređaja. Bibliotečkim pretraživanjem Wiley 275 i NIST 14 baza masenih spektara četiri eluirajuća pika, sa specifičnim vremenima retencije (18,57 min, 18,80 min, 20,85 min, i 21,39 min), identifikovana su kao trimetilsilil-oksimi turanoze, melibioze i saharoze, i odabrana kao diskriminirajući faktori. Njihovo prisustvo, odnosno, odsustvo u određenim sortama strnih žita označeno je sa '1', odnosno, '0', kreirajući pritom binarne numeričke matrice, koje su podvrgnute multivarijantnoj analizi. Primenjene istraživačke tehnike analize podataka pružile su dobru osnovu za diferencijaciju pšenice, raži i tritikalea, bez obzira na specifičnu sortu kojoj pripadaju, izbegavajući pritom kvantitativnu analizu definisanih markera diskriminacije. Pretpostavlja se da uočena izraženija sličnost između sorti pšenice i tritikalea, u odnosu na raž, može biti rezultat činjenice da najveći deo strukture genoma sorti tritikalea vodi poreklo upravo od sorti pšenice.",
publisher = "Institut za ratarstvo i povrtarstvo, Novi Sad",
journal = "Ratarstvo i povrtarstvo / Field and Vegetable Crops Research",
title = "Relationship between GC/EI-qMS disaccharide profiles and corresponding genomes of wheat, rye and triticale cultivars, Povezanost disaharidnih profila odredenih GC/EI-qMS sistemom sa genomima sorti pšenice, raži i tritikalea",
pages = "78-73",
number = "2",
volume = "54",
doi = "10.5937/ratpov54-13405"
}

Pastor, K., Ačanski, M., Vujić, Đ.,& Kondić-Špika, A.. (2017). Relationship between GC/EI-qMS disaccharide profiles and corresponding genomes of wheat, rye and triticale cultivars. in Ratarstvo i povrtarstvo / Field and Vegetable Crops Research
Institut za ratarstvo i povrtarstvo, Novi Sad., 54(2), 73-78.
https://doi.org/10.5937/ratpov54-13405

Pastor K, Ačanski M, Vujić Đ, Kondić-Špika A. Relationship between GC/EI-qMS disaccharide profiles and corresponding genomes of wheat, rye and triticale cultivars. in Ratarstvo i povrtarstvo / Field and Vegetable Crops Research. 2017;54(2):73-78.
doi:10.5937/ratpov54-13405 .

Pastor, Kristian, Ačanski, Marijana, Vujić, Đura, Kondić-Špika, Ankica, "Relationship between GC/EI-qMS disaccharide profiles and corresponding genomes of wheat, rye and triticale cultivars" in Ratarstvo i povrtarstvo / Field and Vegetable Crops Research, 54, no. 2 (2017):73-78,
https://doi.org/10.5937/ratpov54-13405 . .

TY  - JOUR
AU  - Pastor, Kristian
AU  - Ačanski, Marijana
AU  - Vujić, Đura
AU  - Bekavac, Goran
AU  - Milovac, Snezana
AU  - Kravić, Snežana
PY  - 2016
UR  - http://fiver.ifvcns.rs/handle/123456789/1503
AB  - The aim of this study was the application of the gas chromatography-mass spectrometry system (GC/EI-MS) system and multivariate data analysis to investigate the possibility of chemical differentiation between small grain flour (wheat, barley, oat, triticale, rye) and corn flour samples. All cereal flour samples were first defatted with hexane, after which the extraction with ethanol was performed. Extracted simple sugars (monosaccharides, disaccharides, trisaccharides, and sugar alcohols) were analyzed in the form of their corresponding trimethylsilyl oximes. Peaks of simple sugar derivatives were selected in total ion current (TIC) chromatograms by monitoring exclusively the following characteristic abundant ions: 204, 217, and 361 m/z. The total surface areas under the selected peaks were subjected to multivariate analysis. Applying principal coordinate analysis and hierarchical cluster analysis to obtained data, samples of corn flour could be very clearly distinguished from all samples of small grain flour, which presented a weaker separation among each other. This method circumvents common analytical procedures by excluding simple sugar identifications, quantitative analysis, the use of analytical standards, and calibration curves. Results are applicable in the quality assurance of mixed flour on the market, considering the increased popularity of their consumption in human nutrition.
PB  - Springer, New York
T2  - Food Analytical Methods
T1  - Rapid Method for Small Grain and Corn Flour Authentication Using GC/EI-MS and Multivariate Analysis
EP  - 450
IS  - 2
SP  - 443
VL  - 9
DO  - 10.1007/s12161-015-0215-6
ER  - 

@article{
author = "Pastor, Kristian and Ačanski, Marijana and Vujić, Đura and Bekavac, Goran and Milovac, Snezana and Kravić, Snežana",
year = "2016",
abstract = "The aim of this study was the application of the gas chromatography-mass spectrometry system (GC/EI-MS) system and multivariate data analysis to investigate the possibility of chemical differentiation between small grain flour (wheat, barley, oat, triticale, rye) and corn flour samples. All cereal flour samples were first defatted with hexane, after which the extraction with ethanol was performed. Extracted simple sugars (monosaccharides, disaccharides, trisaccharides, and sugar alcohols) were analyzed in the form of their corresponding trimethylsilyl oximes. Peaks of simple sugar derivatives were selected in total ion current (TIC) chromatograms by monitoring exclusively the following characteristic abundant ions: 204, 217, and 361 m/z. The total surface areas under the selected peaks were subjected to multivariate analysis. Applying principal coordinate analysis and hierarchical cluster analysis to obtained data, samples of corn flour could be very clearly distinguished from all samples of small grain flour, which presented a weaker separation among each other. This method circumvents common analytical procedures by excluding simple sugar identifications, quantitative analysis, the use of analytical standards, and calibration curves. Results are applicable in the quality assurance of mixed flour on the market, considering the increased popularity of their consumption in human nutrition.",
publisher = "Springer, New York",
journal = "Food Analytical Methods",
title = "Rapid Method for Small Grain and Corn Flour Authentication Using GC/EI-MS and Multivariate Analysis",
pages = "450-443",
number = "2",
volume = "9",
doi = "10.1007/s12161-015-0215-6"
}

Pastor, K., Ačanski, M., Vujić, Đ., Bekavac, G., Milovac, S.,& Kravić, S.. (2016). Rapid Method for Small Grain and Corn Flour Authentication Using GC/EI-MS and Multivariate Analysis. in Food Analytical Methods
Springer, New York., 9(2), 443-450.
https://doi.org/10.1007/s12161-015-0215-6

Pastor K, Ačanski M, Vujić Đ, Bekavac G, Milovac S, Kravić S. Rapid Method for Small Grain and Corn Flour Authentication Using GC/EI-MS and Multivariate Analysis. in Food Analytical Methods. 2016;9(2):443-450.
doi:10.1007/s12161-015-0215-6 .

Pastor, Kristian, Ačanski, Marijana, Vujić, Đura, Bekavac, Goran, Milovac, Snezana, Kravić, Snežana, "Rapid Method for Small Grain and Corn Flour Authentication Using GC/EI-MS and Multivariate Analysis" in Food Analytical Methods, 9, no. 2 (2016):443-450,
https://doi.org/10.1007/s12161-015-0215-6 . .

TY  - JOUR
AU  - Pastor, Kristian
AU  - Ačanski, Marijana
AU  - Vujić, Đura
AU  - Kondić-Špika, Ankica
PY  - 2016
UR  - http://fiver.ifvcns.rs/handle/123456789/1593
AB  - There is an increasing demand for mixed flour bakery products in the world market, considering the health benefits of various cereal grains. The aim of this work was to develop a rapid approach for corn and small grain flour authentication. Simple sugars present in flour samples were extracted with 96 % ethanol solution, derivatized into corresponding trimethylsilyl oximes (TMSO), and analyzed on a GC/EI-qMS device. The presence of a specific simple sugar at a specific retention time was confirmed using mass spectrometer, thus providing a semi-qualitative approach. Binary matrices were developed based on the presence/absence of detected simple sugar compounds in the investigated cereal species, to minimize the influence of variability between investigated cultivars of the same species. By performing exploratory data analysis: hierarchical cluster analysis (HCA), principal coordinate analysis (PCO), and principal component analysis (PCA), flour samples of corn species were strongly separated from every investigated species of small grains, using all three multivariate tools, thus enabling its authentication in a small grain/corn flour mixture.
PB  - Springer Heidelberg, Heidelberg
T2  - Chromatographia
T1  - Binary Simple Sugar Profiling in Corn and Small Grain Flour Authentication Using GC/EI-qMS Approach
EP  - 1559
IS  - 21-22
SP  - 1553
VL  - 79
DO  - 10.1007/s10337-016-3159-0
ER  - 

@article{
author = "Pastor, Kristian and Ačanski, Marijana and Vujić, Đura and Kondić-Špika, Ankica",
year = "2016",
abstract = "There is an increasing demand for mixed flour bakery products in the world market, considering the health benefits of various cereal grains. The aim of this work was to develop a rapid approach for corn and small grain flour authentication. Simple sugars present in flour samples were extracted with 96 % ethanol solution, derivatized into corresponding trimethylsilyl oximes (TMSO), and analyzed on a GC/EI-qMS device. The presence of a specific simple sugar at a specific retention time was confirmed using mass spectrometer, thus providing a semi-qualitative approach. Binary matrices were developed based on the presence/absence of detected simple sugar compounds in the investigated cereal species, to minimize the influence of variability between investigated cultivars of the same species. By performing exploratory data analysis: hierarchical cluster analysis (HCA), principal coordinate analysis (PCO), and principal component analysis (PCA), flour samples of corn species were strongly separated from every investigated species of small grains, using all three multivariate tools, thus enabling its authentication in a small grain/corn flour mixture.",
publisher = "Springer Heidelberg, Heidelberg",
journal = "Chromatographia",
title = "Binary Simple Sugar Profiling in Corn and Small Grain Flour Authentication Using GC/EI-qMS Approach",
pages = "1559-1553",
number = "21-22",
volume = "79",
doi = "10.1007/s10337-016-3159-0"
}

Pastor, K., Ačanski, M., Vujić, Đ.,& Kondić-Špika, A.. (2016). Binary Simple Sugar Profiling in Corn and Small Grain Flour Authentication Using GC/EI-qMS Approach. in Chromatographia
Springer Heidelberg, Heidelberg., 79(21-22), 1553-1559.
https://doi.org/10.1007/s10337-016-3159-0

Pastor K, Ačanski M, Vujić Đ, Kondić-Špika A. Binary Simple Sugar Profiling in Corn and Small Grain Flour Authentication Using GC/EI-qMS Approach. in Chromatographia. 2016;79(21-22):1553-1559.
doi:10.1007/s10337-016-3159-0 .

Pastor, Kristian, Ačanski, Marijana, Vujić, Đura, Kondić-Špika, Ankica, "Binary Simple Sugar Profiling in Corn and Small Grain Flour Authentication Using GC/EI-qMS Approach" in Chromatographia, 79, no. 21-22 (2016):1553-1559,
https://doi.org/10.1007/s10337-016-3159-0 . .

TY  - JOUR
AU  - Pastor, Kristian
AU  - Ačanski, Marijana
AU  - Vujić, Đura
AU  - Kondić-Špika, Ankica
AU  - Hristov, Nikola
PY  - 2015
UR  - http://fiver.ifvcns.rs/handle/123456789/1495
AB  - The lipid components and soluble sugars in flour samples of different cultivars of barley (Hordeum vulgare), involving winter malting barley, winter forage barley, spring barley, and hulless barley, were identified). Fatty acids were extracted from flour samples with n-hexane, and derivatized into volatile methyl esters, using TMSH (trimethylsulfonium hydroxide) in methanol. Soluble sugars were extracted from defatted and dried samples of barley flour with 96% ethanol, and further derivatized into the corresponding trimethylsilyl (TMS) oximes, using hydroxylamine hydrochloride solution and BSTFA (N,O-bis-(trimethylsilyl)-trifluoroacetamide). The hexane and alcoholic extracts of barley cultivars were analyzed by GC-MS system. Lipid and sugar compositions were very similar in all barley cultivars. Therefore, multivariate analysis was applied to numerical values of automatically integrated areas of the identified fatty acid methyl esters and TMS oximes of soluble sugars. The application of hierarchical cluster analysis showed a great similarity between the investigated flour samples of barley cultivars, according to their fatty acid content (0.96). Also, significant, but somewhat less similarity was observed regarding the content of soluble sugars (0.70). These preliminary results indicate the possibility of distinguishing flour made of barley, regardless of the variety, from flours made of other cereal species, just by the analysis of the contents of fatty acids and soluble sugars.
AB  - U ovom radu identifikovane su lipidne komponente i rastvorljivi šećeri u uzorcima brašna različitih sorti ječma (Hordeum vulgare). Ispitane su sledeće sorte ječma: 3 uzorka sorte ozimog pivskog ječma, 3 uzorka sorte ozimog stočnog ječma, i po jedan uzorak sorti jarog i golozimog ječma. Iz uzorka brašna ječma prvo su heksanom ekstrahovane masne kiseline, koje su zatim derivatizovane u odgovarajuće, isparljive metil-estre, primenom reagensa za derivatizaciju TMSH (trimetilsulfonijum-hidroksid u metanolu). Nakon toga, obezmašćeni i osušeni uzorci ječmenog brašna podvrgnuti su ekstrakciji 96%-tnim etanolom, čime su izdvojeni rastvorljivi šećeri, koji su dalje derivatizovani u odgovarajuće TMS- oksime, primenom rastvora hidroksilamin-hidrohlorida i BSTFA (N, O-bis- (trimetilsilil)-trifluoroacetamid). Heksanski i alkoholni ekstrakti sorti ječma analizirani su primenom gasne hromatografije - masene spektrometrije (GCMS). Sastav lipidnih, kao i šećernih komponenata je bio vrlo sličan kod svih sorti. Stoga je za dalju obradu podataka primenjena multivarijantna analiza numeričkih vrednosti integrisanih površina identifikovanih metil-estara masnih kiselina i trimetilsilil-oksima rastvorljivih šećera. Primena hijerarhijske klaster analize pokazuje veoma velike sličnosti između ispitanih uzoraka brašna sorti ječma, po sadržaju masnih kiselina (0.96). Takođe značajna, ali nešto manja sličnost ustanovljena je kod sadržaja rastvorljivih šećera (0,70). Ovi preliminarni rezultati ukazuju na mogućnost razlikovanja ječmenog brašna, bez obzira na sortu, od brašna drugih žitarica analizom sadržaja masnih kiselina i rastvorljivih šećera.
PB  - Univerzitet u Novom Sadu - Tehnološki fakultet, Novi Sad
T2  - Acta Periodica Technologica
T1  - Lipid and sugar profiles of various barley cultivars (Hordeum vulgare)
T1  - Lipidni i šećerni profili različitih sorti ječma (Hordeum vulgare)
EP  - 75
SP  - 65
VL  - 46
DO  - 10.2298/APT1546065P
ER  - 

@article{
author = "Pastor, Kristian and Ačanski, Marijana and Vujić, Đura and Kondić-Špika, Ankica and Hristov, Nikola",
year = "2015",
abstract = "The lipid components and soluble sugars in flour samples of different cultivars of barley (Hordeum vulgare), involving winter malting barley, winter forage barley, spring barley, and hulless barley, were identified). Fatty acids were extracted from flour samples with n-hexane, and derivatized into volatile methyl esters, using TMSH (trimethylsulfonium hydroxide) in methanol. Soluble sugars were extracted from defatted and dried samples of barley flour with 96% ethanol, and further derivatized into the corresponding trimethylsilyl (TMS) oximes, using hydroxylamine hydrochloride solution and BSTFA (N,O-bis-(trimethylsilyl)-trifluoroacetamide). The hexane and alcoholic extracts of barley cultivars were analyzed by GC-MS system. Lipid and sugar compositions were very similar in all barley cultivars. Therefore, multivariate analysis was applied to numerical values of automatically integrated areas of the identified fatty acid methyl esters and TMS oximes of soluble sugars. The application of hierarchical cluster analysis showed a great similarity between the investigated flour samples of barley cultivars, according to their fatty acid content (0.96). Also, significant, but somewhat less similarity was observed regarding the content of soluble sugars (0.70). These preliminary results indicate the possibility of distinguishing flour made of barley, regardless of the variety, from flours made of other cereal species, just by the analysis of the contents of fatty acids and soluble sugars., U ovom radu identifikovane su lipidne komponente i rastvorljivi šećeri u uzorcima brašna različitih sorti ječma (Hordeum vulgare). Ispitane su sledeće sorte ječma: 3 uzorka sorte ozimog pivskog ječma, 3 uzorka sorte ozimog stočnog ječma, i po jedan uzorak sorti jarog i golozimog ječma. Iz uzorka brašna ječma prvo su heksanom ekstrahovane masne kiseline, koje su zatim derivatizovane u odgovarajuće, isparljive metil-estre, primenom reagensa za derivatizaciju TMSH (trimetilsulfonijum-hidroksid u metanolu). Nakon toga, obezmašćeni i osušeni uzorci ječmenog brašna podvrgnuti su ekstrakciji 96%-tnim etanolom, čime su izdvojeni rastvorljivi šećeri, koji su dalje derivatizovani u odgovarajuće TMS- oksime, primenom rastvora hidroksilamin-hidrohlorida i BSTFA (N, O-bis- (trimetilsilil)-trifluoroacetamid). Heksanski i alkoholni ekstrakti sorti ječma analizirani su primenom gasne hromatografije - masene spektrometrije (GCMS). Sastav lipidnih, kao i šećernih komponenata je bio vrlo sličan kod svih sorti. Stoga je za dalju obradu podataka primenjena multivarijantna analiza numeričkih vrednosti integrisanih površina identifikovanih metil-estara masnih kiselina i trimetilsilil-oksima rastvorljivih šećera. Primena hijerarhijske klaster analize pokazuje veoma velike sličnosti između ispitanih uzoraka brašna sorti ječma, po sadržaju masnih kiselina (0.96). Takođe značajna, ali nešto manja sličnost ustanovljena je kod sadržaja rastvorljivih šećera (0,70). Ovi preliminarni rezultati ukazuju na mogućnost razlikovanja ječmenog brašna, bez obzira na sortu, od brašna drugih žitarica analizom sadržaja masnih kiselina i rastvorljivih šećera.",
publisher = "Univerzitet u Novom Sadu - Tehnološki fakultet, Novi Sad",
journal = "Acta Periodica Technologica",
title = "Lipid and sugar profiles of various barley cultivars (Hordeum vulgare), Lipidni i šećerni profili različitih sorti ječma (Hordeum vulgare)",
pages = "75-65",
volume = "46",
doi = "10.2298/APT1546065P"
}

Pastor, K., Ačanski, M., Vujić, Đ., Kondić-Špika, A.,& Hristov, N.. (2015). Lipid and sugar profiles of various barley cultivars (Hordeum vulgare). in Acta Periodica Technologica
Univerzitet u Novom Sadu - Tehnološki fakultet, Novi Sad., 46, 65-75.
https://doi.org/10.2298/APT1546065P

Pastor K, Ačanski M, Vujić Đ, Kondić-Špika A, Hristov N. Lipid and sugar profiles of various barley cultivars (Hordeum vulgare). in Acta Periodica Technologica. 2015;46:65-75.
doi:10.2298/APT1546065P .

Pastor, Kristian, Ačanski, Marijana, Vujić, Đura, Kondić-Špika, Ankica, Hristov, Nikola, "Lipid and sugar profiles of various barley cultivars (Hordeum vulgare)" in Acta Periodica Technologica, 46 (2015):65-75,
https://doi.org/10.2298/APT1546065P . .