TY  - CHAP
AU  - Jovanović, Gordana
AU  - Matek Sarić, Marijana
AU  - Herceg Romanić, Snježana
AU  - Stanišić, Svetlana M.
AU  - Mitrović Dankulov, Marija
AU  - Popović, Aleksandar R.
AU  - Perišić, Mirjana
AU  - Pap, Endre
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4743
AB  - Breastfeeding provides numerous health benefits for newborns by meeting infants’ nutritional needs and supporting associated immunological protection. Maternal milk is high in fat, and therefore, represents a very suitable medium for the bioaccumulation of lipophilic pollutants, such as organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs). This makes breast milk the infant’s primary source of postnatal exposure to persistent toxic xenobiotics. In this study, we applied a novel SHapley Additive exPlanations (SHAP) method to examine the key parameters that govern the distribution of PCB-138, an indicator of non-dioxin congeners, in the mother’s milk. According to the accuracy metrics, the eXtreme Gradient Boosting regression was employed successfully, with a predicted/observed relative error below 20% and a high correlation coefficient (r === 0.97), for modeling the relationships between PCB-138 and other non-dioxin congeners, the mother’s age, and the number of births. According to the results, PCB-156, PCB-180, HCB, HCH and PCB-118 have a major impact, while PCB-28, PCB-52 and PCB-189 have a minor impact on PCB-138 distribution in breast milk. Similar contaminant behaviors, which belong to both the indicator congener group (−28, −52, −180) and the toxicologically relevant PCBs (−118, −189), were also noted. The SHAP conclusions were only partially consistent with the results of the correlation analysis suggesting that POPs exhibit non-linear dynamics and interrelations. Therefore, current knowledge on the contamination of complex biomatrices would benefit from further detailed analyses of pollutant intermittent relationships.
PB  - Springer International Publishing
T2  - Artificial Intelligence: Theory and Applications
T1  - Patterns of PCB-138 Occurrence in the Breast Milk of Primiparae and Multiparae Using SHapley Additive exPlanations Analysis
SP  - 191
EP  - 206
DO  - 10.1007/978-3-030-72711-6_11
ER  - 

@inbook{
author = "Jovanović, Gordana and Matek Sarić, Marijana and Herceg Romanić, Snježana and Stanišić, Svetlana M. and Mitrović Dankulov, Marija and Popović, Aleksandar R. and Perišić, Mirjana and Pap, Endre",
year = "2021",
abstract = "Breastfeeding provides numerous health benefits for newborns by meeting infants’ nutritional needs and supporting associated immunological protection. Maternal milk is high in fat, and therefore, represents a very suitable medium for the bioaccumulation of lipophilic pollutants, such as organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs). This makes breast milk the infant’s primary source of postnatal exposure to persistent toxic xenobiotics. In this study, we applied a novel SHapley Additive exPlanations (SHAP) method to examine the key parameters that govern the distribution of PCB-138, an indicator of non-dioxin congeners, in the mother’s milk. According to the accuracy metrics, the eXtreme Gradient Boosting regression was employed successfully, with a predicted/observed relative error below 20% and a high correlation coefficient (r === 0.97), for modeling the relationships between PCB-138 and other non-dioxin congeners, the mother’s age, and the number of births. According to the results, PCB-156, PCB-180, HCB, HCH and PCB-118 have a major impact, while PCB-28, PCB-52 and PCB-189 have a minor impact on PCB-138 distribution in breast milk. Similar contaminant behaviors, which belong to both the indicator congener group (−28, −52, −180) and the toxicologically relevant PCBs (−118, −189), were also noted. The SHAP conclusions were only partially consistent with the results of the correlation analysis suggesting that POPs exhibit non-linear dynamics and interrelations. Therefore, current knowledge on the contamination of complex biomatrices would benefit from further detailed analyses of pollutant intermittent relationships.",
publisher = "Springer International Publishing",
journal = "Artificial Intelligence: Theory and Applications",
booktitle = "Patterns of PCB-138 Occurrence in the Breast Milk of Primiparae and Multiparae Using SHapley Additive exPlanations Analysis",
pages = "191-206",
doi = "10.1007/978-3-030-72711-6_11"
}

Jovanović, G., Matek Sarić, M., Herceg Romanić, S., Stanišić, S. M., Mitrović Dankulov, M., Popović, A. R., Perišić, M.,& Pap, E.. (2021). Patterns of PCB-138 Occurrence in the Breast Milk of Primiparae and Multiparae Using SHapley Additive exPlanations Analysis. in Artificial Intelligence: Theory and Applications
Springer International Publishing., 191-206.
https://doi.org/10.1007/978-3-030-72711-6_11

Jovanović G, Matek Sarić M, Herceg Romanić S, Stanišić SM, Mitrović Dankulov M, Popović AR, Perišić M, Pap E. Patterns of PCB-138 Occurrence in the Breast Milk of Primiparae and Multiparae Using SHapley Additive exPlanations Analysis. in Artificial Intelligence: Theory and Applications. 2021;:191-206.
doi:10.1007/978-3-030-72711-6_11 .

Jovanović, Gordana, Matek Sarić, Marijana, Herceg Romanić, Snježana, Stanišić, Svetlana M., Mitrović Dankulov, Marija, Popović, Aleksandar R., Perišić, Mirjana, Pap, Endre, "Patterns of PCB-138 Occurrence in the Breast Milk of Primiparae and Multiparae Using SHapley Additive exPlanations Analysis" in Artificial Intelligence: Theory and Applications (2021):191-206,
https://doi.org/10.1007/978-3-030-72711-6_11 . .

TY  - JOUR
AU  - Jovanović, Gordana
AU  - Herceg Romanić, Snježana
AU  - Stojić, Andreja
AU  - Klinčić, Darija
AU  - Matek Sarić, Marijana
AU  - Grzunov Letinić, Judita
AU  - Popović, Aleksandar R.
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2836
AB  - This study used advanced statistical and machine learning methods to investigate organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in breast milk, assuming that in a complex biological mixture, the pollutants emitted from the same source or with similar properties are statistically interrelated and possibly exhibit non-linear dynamics. The elaborated analyses such as Unmix source apportionment characterized individual source groups, while guided regularized random forest indicated the pollutant dependence on the ortho-chlorine atom attached to the congener's phenyl ring and mother's age. Mutual associations among PCBs were further discussed, but the results implied they were mostly not related to child delivery. PCB congeners −153, −180, −170, −118, −156, −105, and −138 appeared to be compounds of the outmost importance for mutual prediction with reference to their interrelations regarding chemical structure and metabolic processes in the mother's body. Finally, machine learning methods, which provided prediction relative errors lower than 30% and correlation coefficients higher than 0.90, suggested a possible strong non-linear relationship among the pollutants and consequently, the complexity of their pathways in the breast milk.
PB  - Elsevier
T2  - Ecotoxicology and Environmental Safety
T1  - Introducing of modeling techniques in the research of POPs in breast milk – A pilot study
VL  - 172
SP  - 341
EP  - 347
DO  - 10.1016/j.ecoenv.2019.01.087
ER  - 

@article{
author = "Jovanović, Gordana and Herceg Romanić, Snježana and Stojić, Andreja and Klinčić, Darija and Matek Sarić, Marijana and Grzunov Letinić, Judita and Popović, Aleksandar R.",
year = "2019",
abstract = "This study used advanced statistical and machine learning methods to investigate organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in breast milk, assuming that in a complex biological mixture, the pollutants emitted from the same source or with similar properties are statistically interrelated and possibly exhibit non-linear dynamics. The elaborated analyses such as Unmix source apportionment characterized individual source groups, while guided regularized random forest indicated the pollutant dependence on the ortho-chlorine atom attached to the congener's phenyl ring and mother's age. Mutual associations among PCBs were further discussed, but the results implied they were mostly not related to child delivery. PCB congeners −153, −180, −170, −118, −156, −105, and −138 appeared to be compounds of the outmost importance for mutual prediction with reference to their interrelations regarding chemical structure and metabolic processes in the mother's body. Finally, machine learning methods, which provided prediction relative errors lower than 30% and correlation coefficients higher than 0.90, suggested a possible strong non-linear relationship among the pollutants and consequently, the complexity of their pathways in the breast milk.",
publisher = "Elsevier",
journal = "Ecotoxicology and Environmental Safety",
title = "Introducing of modeling techniques in the research of POPs in breast milk – A pilot study",
volume = "172",
pages = "341-347",
doi = "10.1016/j.ecoenv.2019.01.087"
}

Jovanović, G., Herceg Romanić, S., Stojić, A., Klinčić, D., Matek Sarić, M., Grzunov Letinić, J.,& Popović, A. R.. (2019). Introducing of modeling techniques in the research of POPs in breast milk – A pilot study. in Ecotoxicology and Environmental Safety
Elsevier., 172, 341-347.
https://doi.org/10.1016/j.ecoenv.2019.01.087

Jovanović G, Herceg Romanić S, Stojić A, Klinčić D, Matek Sarić M, Grzunov Letinić J, Popović AR. Introducing of modeling techniques in the research of POPs in breast milk – A pilot study. in Ecotoxicology and Environmental Safety. 2019;172:341-347.
doi:10.1016/j.ecoenv.2019.01.087 .

Jovanović, Gordana, Herceg Romanić, Snježana, Stojić, Andreja, Klinčić, Darija, Matek Sarić, Marijana, Grzunov Letinić, Judita, Popović, Aleksandar R., "Introducing of modeling techniques in the research of POPs in breast milk – A pilot study" in Ecotoxicology and Environmental Safety, 172 (2019):341-347,
https://doi.org/10.1016/j.ecoenv.2019.01.087 . .

TY  - JOUR
AU  - Herceg Romanić, Snježana
AU  - Vuković, Gordana P.
AU  - Klinčić, Darija
AU  - Matek Sarić, Marijana
AU  - Zupan, Ivan
AU  - Antanasijevic, Davor
AU  - Popović, Aleksandar R.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2174
AB  - To tackle the ever-present global concern regarding human exposure to persistent organic pollutants (POPs) via food products, this study strived to indicate associations between organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in lake-fish tissue depending on the species and sampling season. Apart from the monitoring initiatives recommended in the Global Monitoring Plan for POPs, the study discussed 7 OCPs and 18 PCB congeners determined in three Cyprinidae species (rudd, carp, and Prussian carp) from Vransko Lake (Croatia), which are widely domesticated and reared as food fish across Europe and Asia. We exploit advanced classification algorithms, the Kohonen self-organizing maps (SOM) and Decision Trees (DT), to search for POP patterns typical for the investigated species. As indicated by SOM, some of the dioxin-like and non-dioxin-like PCBs (PCB-28, PCB-74, PCB-52, PCB-101, PCB-105, PCB-114, PCB-118, PCB-156 and PCB-157), alpha-HCH and beta-HCH caused dissimilarities among fish species, but regardless of their weight and length. To support these suggestions, DT analysis sequenced the fish species and seasons based on the concentration of heavier congeners. The presented assumptions indicated that the supplemental application of SOM and DT offers advantageous features over the usually rough interpretation of POPs pattern and over the single use of the methods.
PB  - Academic Press Inc Elsevier Science, San Diego
T2  - Environmental Research
T1  - Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in Cyprinidae fish: Towards hints of their arrangements using advanced classification methods
VL  - 165
SP  - 349
EP  - 357
DO  - 10.1016/j.envres.2018.05.003
ER  - 

@article{
author = "Herceg Romanić, Snježana and Vuković, Gordana P. and Klinčić, Darija and Matek Sarić, Marijana and Zupan, Ivan and Antanasijevic, Davor and Popović, Aleksandar R.",
year = "2018",
abstract = "To tackle the ever-present global concern regarding human exposure to persistent organic pollutants (POPs) via food products, this study strived to indicate associations between organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in lake-fish tissue depending on the species and sampling season. Apart from the monitoring initiatives recommended in the Global Monitoring Plan for POPs, the study discussed 7 OCPs and 18 PCB congeners determined in three Cyprinidae species (rudd, carp, and Prussian carp) from Vransko Lake (Croatia), which are widely domesticated and reared as food fish across Europe and Asia. We exploit advanced classification algorithms, the Kohonen self-organizing maps (SOM) and Decision Trees (DT), to search for POP patterns typical for the investigated species. As indicated by SOM, some of the dioxin-like and non-dioxin-like PCBs (PCB-28, PCB-74, PCB-52, PCB-101, PCB-105, PCB-114, PCB-118, PCB-156 and PCB-157), alpha-HCH and beta-HCH caused dissimilarities among fish species, but regardless of their weight and length. To support these suggestions, DT analysis sequenced the fish species and seasons based on the concentration of heavier congeners. The presented assumptions indicated that the supplemental application of SOM and DT offers advantageous features over the usually rough interpretation of POPs pattern and over the single use of the methods.",
publisher = "Academic Press Inc Elsevier Science, San Diego",
journal = "Environmental Research",
title = "Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in Cyprinidae fish: Towards hints of their arrangements using advanced classification methods",
volume = "165",
pages = "349-357",
doi = "10.1016/j.envres.2018.05.003"
}

Herceg Romanić, S., Vuković, G. P., Klinčić, D., Matek Sarić, M., Zupan, I., Antanasijevic, D.,& Popović, A. R.. (2018). Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in Cyprinidae fish: Towards hints of their arrangements using advanced classification methods. in Environmental Research
Academic Press Inc Elsevier Science, San Diego., 165, 349-357.
https://doi.org/10.1016/j.envres.2018.05.003

Herceg Romanić S, Vuković GP, Klinčić D, Matek Sarić M, Zupan I, Antanasijevic D, Popović AR. Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in Cyprinidae fish: Towards hints of their arrangements using advanced classification methods. in Environmental Research. 2018;165:349-357.
doi:10.1016/j.envres.2018.05.003 .

Herceg Romanić, Snježana, Vuković, Gordana P., Klinčić, Darija, Matek Sarić, Marijana, Zupan, Ivan, Antanasijevic, Davor, Popović, Aleksandar R., "Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in Cyprinidae fish: Towards hints of their arrangements using advanced classification methods" in Environmental Research, 165 (2018):349-357,
https://doi.org/10.1016/j.envres.2018.05.003 . .