Dramićanin, Aleksandra M.

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orcid::0000-0001-9754-858X
  • Dramićanin, Aleksandra M. (4)
  • Dramićanin, Aleksandra (1)
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Author's Bibliography

Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically

Golijan, Jelena; Lekić, Slavoljub S.; Dojčinović, Biljana; Dramićanin, Aleksandra M.; Milinčić, Danijel D.; Pešić, Mirjana B.; Barać, Miroljub B.; Kostić, Aleksandar Ž.

(2022)

TY  - JOUR
AU  - Golijan, Jelena
AU  - Lekić, Slavoljub S.
AU  - Dojčinović, Biljana
AU  - Dramićanin, Aleksandra M.
AU  - Milinčić, Danijel D.
AU  - Pešić, Mirjana B.
AU  - Barać, Miroljub B.
AU  - Kostić, Aleksandar Ž.
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5421
AB  - The present work determined complete mineral profile of four different types of grains (spelt, soybean, maize, and buckwheat) grown under two growing systems – conventional and organic. The contents of 20 macro-, micro and trace elements were analysed in the examined grains by inductively coupled plasma-optical emission spectrometry (ICP-OES). In most samples, nine elements were present in concentrations higher than 10 mg/kg. The remaining elements were present at lower concentrations or in traces or not detected in certain samples. Aluminium and arsenic, as two toxic elements, were detected only in organic buckwheat grains. Based on the obtained results for the mineral contents, a nutritive assessment of the quality of grains of spelt, soybean, maize, and buckwheat were made. Results of nutritional assessment showed that spelt, soybean, and buckwheat grains could potentially be good sources of several minerals for human diet. On the other hand, the presence of some toxic elements, such as cadmium and strontium, should be monitored. Results of principal component analysis (PCA) and hierarchical cluster analysis (HCA) shown that the mineral composition, to a much greater extent, depended on the botanical origin of grains as compared to the production system.
T2  - International Food Research Journal
T1  - Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically
VL  - 29
IS  - 3
SP  - 646
EP  - 658
DO  - 10.47836/ifrj.29.3.16
ER  - 
@article{
author = "Golijan, Jelena and Lekić, Slavoljub S. and Dojčinović, Biljana and Dramićanin, Aleksandra M. and Milinčić, Danijel D. and Pešić, Mirjana B. and Barać, Miroljub B. and Kostić, Aleksandar Ž.",
year = "2022",
abstract = "The present work determined complete mineral profile of four different types of grains (spelt, soybean, maize, and buckwheat) grown under two growing systems – conventional and organic. The contents of 20 macro-, micro and trace elements were analysed in the examined grains by inductively coupled plasma-optical emission spectrometry (ICP-OES). In most samples, nine elements were present in concentrations higher than 10 mg/kg. The remaining elements were present at lower concentrations or in traces or not detected in certain samples. Aluminium and arsenic, as two toxic elements, were detected only in organic buckwheat grains. Based on the obtained results for the mineral contents, a nutritive assessment of the quality of grains of spelt, soybean, maize, and buckwheat were made. Results of nutritional assessment showed that spelt, soybean, and buckwheat grains could potentially be good sources of several minerals for human diet. On the other hand, the presence of some toxic elements, such as cadmium and strontium, should be monitored. Results of principal component analysis (PCA) and hierarchical cluster analysis (HCA) shown that the mineral composition, to a much greater extent, depended on the botanical origin of grains as compared to the production system.",
journal = "International Food Research Journal",
title = "Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically",
volume = "29",
number = "3",
pages = "646-658",
doi = "10.47836/ifrj.29.3.16"
}
Golijan, J., Lekić, S. S., Dojčinović, B., Dramićanin, A. M., Milinčić, D. D., Pešić, M. B., Barać, M. B.,& Kostić, A. Ž.. (2022). Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically. in International Food Research Journal, 29(3), 646-658.
https://doi.org/10.47836/ifrj.29.3.16
Golijan J, Lekić SS, Dojčinović B, Dramićanin AM, Milinčić DD, Pešić MB, Barać MB, Kostić AŽ. Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically. in International Food Research Journal. 2022;29(3):646-658.
doi:10.47836/ifrj.29.3.16 .
Golijan, Jelena, Lekić, Slavoljub S., Dojčinović, Biljana, Dramićanin, Aleksandra M., Milinčić, Danijel D., Pešić, Mirjana B., Barać, Miroljub B., Kostić, Aleksandar Ž., "Mineral and nutritional assessments of soybean, buckwheat, spelt, and maize grains grown conventionally and organically" in International Food Research Journal, 29, no. 3 (2022):646-658,
https://doi.org/10.47836/ifrj.29.3.16 . .
1
1

Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom

Simić, Aleksandar; Tosti, Tomislav; Dramićanin, Aleksandra M.; Šegan, Sandra; Milojković-Opsenica, Dušanka

(Belgrade : Serbian Chemical Society, 2022)

TY  - CONF
AU  - Simić, Aleksandar
AU  - Tosti, Tomislav
AU  - Dramićanin, Aleksandra M.
AU  - Šegan, Sandra
AU  - Milojković-Opsenica, Dušanka
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6735
AB  - Sadržaj limunske kiseline u medu može da pruži informacije za procenu autenticnosti
meda. Me utim, važeci Codexalimentarius kao i Pravilnik o kvalitetu meda ne pružaju
informacije o sadržaju limunske kiseline u medu. Imajuci to u vidu, predmet ovog rada je
razvoj i validacija metode za odre ivanje citrata u medu. Analiza citrata ura ena je
primenom jonske hromatografijesa konduktometrijskom detekcijom na DIONEX AS 15
analitickoj koloni uz upotrebu 30 mM kalijum-hidroksida kao mobilne faze.Validovana
metoda se može primeniti za odre ivanje sadržaja citrata u medu u intervalu 1 – 100 mg/kg
s agranicom detekcije od 0,36 mg/kg igranicomkvantifikacije 1,20 mg/kg.Tacnost metode
je proverena testom obogacenja (95 – 101%), a preciznost ponovljenim analizama u toku
više dana. Metoda je proverena analizom 25 uzoraka bagremovog meda pri cemu je
sadržaj citrata bio u opsegu 10,82 – 55,74 mg/kg. Parametri validacije metode potvr uju
mogucnost primene jonskehromatografije sa konduktometrijskom detekcijom za brzo i
tacno odre ivanje citrata u uzorcima bagremovog meda.
AB  - The citric acid content can give useful information about honey authenticity. However, Codex Alimentarius and the Serbian regulation do not provide information on the content of citric acid in honey. Hence,the object of this paper is the method development and validation for the determination of citrate content in honey. The concentration of citrate in honey was determined by ion chromatography with conductivity detection on DIONEX AS 15 column and 30 mM potassium-hydroxide as mobile phase. The method validation revealed that method can be used for determination of citrate in acaciahoney from 1 to100 mg/kg. The limit of detection was 0.36 mg/kg and limit of quantification 1.20 mg/kg. The accuracy was determined with recovery test (95–101%), and precision with repeat analysis during few days. Analysis of 25 acacia honey samples confirmed applicability of method and revealed that amount of citrate was10.82 – 55.74 mg/kg. The statistical parameters of method validation pointed out that the ion chromatography with conductometry detection enabled rapid and accurate determination of citrate in acacia honey.
PB  - Belgrade : Serbian Chemical Society
C3  - Kratki izvodi radova, knjiga radova - 58. Savetovanje Srpskog hemijskog društva, 9. i 10. jun 2022. godine, Beograd / Book of Abstracts, Proceedings - 58th Meeting of the Serbian Chemical Society, June 9-10, 2023, Belgrade, Serbia
T1  - Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom
T1  - Method validation for determining the citrate content in acacia honey by ion  chromatography
SP  - 56
EP  - 56
UR  - https://hdl.handle.net/21.15107/rcub_cer_6735
ER  - 
@conference{
author = "Simić, Aleksandar and Tosti, Tomislav and Dramićanin, Aleksandra M. and Šegan, Sandra and Milojković-Opsenica, Dušanka",
year = "2022",
abstract = "Sadržaj limunske kiseline u medu može da pruži informacije za procenu autenticnosti
meda. Me utim, važeci Codexalimentarius kao i Pravilnik o kvalitetu meda ne pružaju
informacije o sadržaju limunske kiseline u medu. Imajuci to u vidu, predmet ovog rada je
razvoj i validacija metode za odre ivanje citrata u medu. Analiza citrata ura ena je
primenom jonske hromatografijesa konduktometrijskom detekcijom na DIONEX AS 15
analitickoj koloni uz upotrebu 30 mM kalijum-hidroksida kao mobilne faze.Validovana
metoda se može primeniti za odre ivanje sadržaja citrata u medu u intervalu 1 – 100 mg/kg
s agranicom detekcije od 0,36 mg/kg igranicomkvantifikacije 1,20 mg/kg.Tacnost metode
je proverena testom obogacenja (95 – 101%), a preciznost ponovljenim analizama u toku
više dana. Metoda je proverena analizom 25 uzoraka bagremovog meda pri cemu je
sadržaj citrata bio u opsegu 10,82 – 55,74 mg/kg. Parametri validacije metode potvr uju
mogucnost primene jonskehromatografije sa konduktometrijskom detekcijom za brzo i
tacno odre ivanje citrata u uzorcima bagremovog meda., The citric acid content can give useful information about honey authenticity. However, Codex Alimentarius and the Serbian regulation do not provide information on the content of citric acid in honey. Hence,the object of this paper is the method development and validation for the determination of citrate content in honey. The concentration of citrate in honey was determined by ion chromatography with conductivity detection on DIONEX AS 15 column and 30 mM potassium-hydroxide as mobile phase. The method validation revealed that method can be used for determination of citrate in acaciahoney from 1 to100 mg/kg. The limit of detection was 0.36 mg/kg and limit of quantification 1.20 mg/kg. The accuracy was determined with recovery test (95–101%), and precision with repeat analysis during few days. Analysis of 25 acacia honey samples confirmed applicability of method and revealed that amount of citrate was10.82 – 55.74 mg/kg. The statistical parameters of method validation pointed out that the ion chromatography with conductometry detection enabled rapid and accurate determination of citrate in acacia honey.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Kratki izvodi radova, knjiga radova - 58. Savetovanje Srpskog hemijskog društva, 9. i 10. jun 2022. godine, Beograd / Book of Abstracts, Proceedings - 58th Meeting of the Serbian Chemical Society, June 9-10, 2023, Belgrade, Serbia",
title = "Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom, Method validation for determining the citrate content in acacia honey by ion  chromatography",
pages = "56-56",
url = "https://hdl.handle.net/21.15107/rcub_cer_6735"
}
Simić, A., Tosti, T., Dramićanin, A. M., Šegan, S.,& Milojković-Opsenica, D.. (2022). Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom. in Kratki izvodi radova, knjiga radova - 58. Savetovanje Srpskog hemijskog društva, 9. i 10. jun 2022. godine, Beograd / Book of Abstracts, Proceedings - 58th Meeting of the Serbian Chemical Society, June 9-10, 2023, Belgrade, Serbia
Belgrade : Serbian Chemical Society., 56-56.
https://hdl.handle.net/21.15107/rcub_cer_6735
Simić A, Tosti T, Dramićanin AM, Šegan S, Milojković-Opsenica D. Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom. in Kratki izvodi radova, knjiga radova - 58. Savetovanje Srpskog hemijskog društva, 9. i 10. jun 2022. godine, Beograd / Book of Abstracts, Proceedings - 58th Meeting of the Serbian Chemical Society, June 9-10, 2023, Belgrade, Serbia. 2022;:56-56.
https://hdl.handle.net/21.15107/rcub_cer_6735 .
Simić, Aleksandar, Tosti, Tomislav, Dramićanin, Aleksandra M., Šegan, Sandra, Milojković-Opsenica, Dušanka, "Validacija metode za određivanje sadržaja citrata u bagremovom medu jonskom hromatografijom" in Kratki izvodi radova, knjiga radova - 58. Savetovanje Srpskog hemijskog društva, 9. i 10. jun 2022. godine, Beograd / Book of Abstracts, Proceedings - 58th Meeting of the Serbian Chemical Society, June 9-10, 2023, Belgrade, Serbia (2022):56-56,
https://hdl.handle.net/21.15107/rcub_cer_6735 .

Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato

Dramićanin, Aleksandra M.; Andrić, Filip; Mutić, Jelena; Stanković, Vesna; Momirović, Nebojša M.; Milojković-Opsenica, Dušanka

(Elsevier, 2021)

TY  - JOUR
AU  - Dramićanin, Aleksandra M.
AU  - Andrić, Filip
AU  - Mutić, Jelena
AU  - Stanković, Vesna
AU  - Momirović, Nebojša M.
AU  - Milojković-Opsenica, Dušanka
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4488
AB  - The effects of organic versus integral and conventional crop management on content and distribution of major and trace elements in different varieties of potato were investigated in a three year field trial. A set of 48 potato tubers of four varieties with different harvesting times, cultivated in three types of agricultural systems: conventional (C), integral (I), and organic (O) were characterized based on the composition of the elements of their bulk and peel. A total of 16 elements were quantified. In order to determine the source of variation among the types of production, parts of potato and varieties, multivariate analysis of variance (MANOVA) was conducted. The results indicate that Ca, Mg, and K may be considered as important indicators of the type of production, genotypes of potato, and harvesting time. Additionally, the analyses show that ten microelements are able to distinguish between production types and genotypes of potato.
PB  - Elsevier
T2  - Food Chemistry
T1  - Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato
VL  - 354
SP  - 129507
DO  - 10.1016/j.foodchem.2021.129507
ER  - 
@article{
author = "Dramićanin, Aleksandra M. and Andrić, Filip and Mutić, Jelena and Stanković, Vesna and Momirović, Nebojša M. and Milojković-Opsenica, Dušanka",
year = "2021",
abstract = "The effects of organic versus integral and conventional crop management on content and distribution of major and trace elements in different varieties of potato were investigated in a three year field trial. A set of 48 potato tubers of four varieties with different harvesting times, cultivated in three types of agricultural systems: conventional (C), integral (I), and organic (O) were characterized based on the composition of the elements of their bulk and peel. A total of 16 elements were quantified. In order to determine the source of variation among the types of production, parts of potato and varieties, multivariate analysis of variance (MANOVA) was conducted. The results indicate that Ca, Mg, and K may be considered as important indicators of the type of production, genotypes of potato, and harvesting time. Additionally, the analyses show that ten microelements are able to distinguish between production types and genotypes of potato.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato",
volume = "354",
pages = "129507",
doi = "10.1016/j.foodchem.2021.129507"
}
Dramićanin, A. M., Andrić, F., Mutić, J., Stanković, V., Momirović, N. M.,& Milojković-Opsenica, D.. (2021). Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato. in Food Chemistry
Elsevier., 354, 129507.
https://doi.org/10.1016/j.foodchem.2021.129507
Dramićanin AM, Andrić F, Mutić J, Stanković V, Momirović NM, Milojković-Opsenica D. Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato. in Food Chemistry. 2021;354:129507.
doi:10.1016/j.foodchem.2021.129507 .
Dramićanin, Aleksandra M., Andrić, Filip, Mutić, Jelena, Stanković, Vesna, Momirović, Nebojša M., Milojković-Opsenica, Dušanka, "Content and distribution of major and trace elements as a tool to assess the genotypes, harvesting time, and cultivation systems of potato" in Food Chemistry, 354 (2021):129507,
https://doi.org/10.1016/j.foodchem.2021.129507 . .
3
1
4

Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography

Andrić, Filip; Šegan, Sandra; Dramićanin, Aleksandra M.; Majstorović, Helena; Milojković-Opsenica, Dušanka

(Elsevier, 2016)

TY  - JOUR
AU  - Andrić, Filip
AU  - Šegan, Sandra
AU  - Dramićanin, Aleksandra M.
AU  - Majstorović, Helena
AU  - Milojković-Opsenica, Dušanka
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3156
AB  - Soil-water partition coefficient normalized to the organic carbon.content (K-OC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established alternative for direct sorption techniques used for K-OC determination. The present work proposes reversed-phase thin-layer chromatography (RP-TLC) as a simpler, yet equally accurate method as officially recommended HPLC technique. Several TLC systems were studied including octadecyl-(RP18) and cyano-(CN) modified silica layers in combination with methanol-water and acetonitrile-water mixtures as mobile phases. In total 50 compounds of different molecular shape, size, and various ability to establish specific interactions were selected (phenols, beznodiazepines, triazine herbicides, and polyaromatic hydrocarbons). Calibration set of 29 compounds with known logK(OC) values determined by sorption experiments was used to build simple univariate calibrations, Principal Component Regression (PCR) and Partial Least Squares (PLS) models between logK(OC) and TLC retention parameters. Models exhibit good statistical performance, indicating that CN-layers contribute better to logK(OC) modeling than RP18-silica. The most promising TLC methods, officially recommended HPLC method, and four in silico estimation approaches have been compared by non-parametric Sum of Ranking Differences approach (SRD). The best estimations of logK(OC) values were achieved by simple univariate calibration of TLC retention data involving CN-silica layers and moderate content of methanol (40-50% v/v). They were ranked far well compared to the officially recommended HPLC method which was ranked in the middle. The worst estimates have been obtained from in silico computations based on octanol-water partition coefficient. Linear Solvation Energy Relationship study revealed that increased polarity of CN-layers over RP18 in combination with methanol-water mixtures is the key to better modeling of logK(OC) through significant diminishing of dipolar and proton accepting influence of the mobile phase as well as enhancing molar refractivity in excess of the chromatographic systems. (C) 2016 Elsevier B.V. All rights reserved.
PB  - Elsevier
T2  - Journal of Chromatography A
T1  - Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography
VL  - 1458
SP  - 136
EP  - 144
DO  - 10.1016/j.chroma.2016.06.063
ER  - 
@article{
author = "Andrić, Filip and Šegan, Sandra and Dramićanin, Aleksandra M. and Majstorović, Helena and Milojković-Opsenica, Dušanka",
year = "2016",
abstract = "Soil-water partition coefficient normalized to the organic carbon.content (K-OC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established alternative for direct sorption techniques used for K-OC determination. The present work proposes reversed-phase thin-layer chromatography (RP-TLC) as a simpler, yet equally accurate method as officially recommended HPLC technique. Several TLC systems were studied including octadecyl-(RP18) and cyano-(CN) modified silica layers in combination with methanol-water and acetonitrile-water mixtures as mobile phases. In total 50 compounds of different molecular shape, size, and various ability to establish specific interactions were selected (phenols, beznodiazepines, triazine herbicides, and polyaromatic hydrocarbons). Calibration set of 29 compounds with known logK(OC) values determined by sorption experiments was used to build simple univariate calibrations, Principal Component Regression (PCR) and Partial Least Squares (PLS) models between logK(OC) and TLC retention parameters. Models exhibit good statistical performance, indicating that CN-layers contribute better to logK(OC) modeling than RP18-silica. The most promising TLC methods, officially recommended HPLC method, and four in silico estimation approaches have been compared by non-parametric Sum of Ranking Differences approach (SRD). The best estimations of logK(OC) values were achieved by simple univariate calibration of TLC retention data involving CN-silica layers and moderate content of methanol (40-50% v/v). They were ranked far well compared to the officially recommended HPLC method which was ranked in the middle. The worst estimates have been obtained from in silico computations based on octanol-water partition coefficient. Linear Solvation Energy Relationship study revealed that increased polarity of CN-layers over RP18 in combination with methanol-water mixtures is the key to better modeling of logK(OC) through significant diminishing of dipolar and proton accepting influence of the mobile phase as well as enhancing molar refractivity in excess of the chromatographic systems. (C) 2016 Elsevier B.V. All rights reserved.",
publisher = "Elsevier",
journal = "Journal of Chromatography A",
title = "Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography",
volume = "1458",
pages = "136-144",
doi = "10.1016/j.chroma.2016.06.063"
}
Andrić, F., Šegan, S., Dramićanin, A. M., Majstorović, H.,& Milojković-Opsenica, D.. (2016). Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography. in Journal of Chromatography A
Elsevier., 1458, 136-144.
https://doi.org/10.1016/j.chroma.2016.06.063
Andrić F, Šegan S, Dramićanin AM, Majstorović H, Milojković-Opsenica D. Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography. in Journal of Chromatography A. 2016;1458:136-144.
doi:10.1016/j.chroma.2016.06.063 .
Andrić, Filip, Šegan, Sandra, Dramićanin, Aleksandra M., Majstorović, Helena, Milojković-Opsenica, Dušanka, "Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography" in Journal of Chromatography A, 1458 (2016):136-144,
https://doi.org/10.1016/j.chroma.2016.06.063 . .
3
9
8
9

Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography

Andrić, Filip; Šegan, Sandra; Dramićanin, Aleksandra; Majstorovic, Helena; Milojković-Opsenica, Dušanka

(Elsevier, 2016)

TY  - JOUR
AU  - Andrić, Filip
AU  - Šegan, Sandra
AU  - Dramićanin, Aleksandra
AU  - Majstorovic, Helena
AU  - Milojković-Opsenica, Dušanka
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1849
AB  - Soil-water partition coefficient normalized to the organic carbon.content (K-OC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established alternative for direct sorption techniques used for K-OC determination. The present work proposes reversed-phase thin-layer chromatography (RP-TLC) as a simpler, yet equally accurate method as officially recommended HPLC technique. Several TLC systems were studied including octadecyl-(RP18) and cyano-(CN) modified silica layers in combination with methanol-water and acetonitrile-water mixtures as mobile phases. In total 50 compounds of different molecular shape, size, and various ability to establish specific interactions were selected (phenols, beznodiazepines, triazine herbicides, and polyaromatic hydrocarbons). Calibration set of 29 compounds with known logK(OC) values determined by sorption experiments was used to build simple univariate calibrations, Principal Component Regression (PCR) and Partial Least Squares (PLS) models between logK(OC) and TLC retention parameters. Models exhibit good statistical performance, indicating that CN-layers contribute better to logK(OC) modeling than RP18-silica. The most promising TLC methods, officially recommended HPLC method, and four in silico estimation approaches have been compared by non-parametric Sum of Ranking Differences approach (SRD). The best estimations of logK(OC) values were achieved by simple univariate calibration of TLC retention data involving CN-silica layers and moderate content of methanol (40-50% v/v). They were ranked far well compared to the officially recommended HPLC method which was ranked in the middle. The worst estimates have been obtained from in silico computations based on octanol-water partition coefficient. Linear Solvation Energy Relationship study revealed that increased polarity of CN-layers over RP18 in combination with methanol-water mixtures is the key to better modeling of logK(OC) through significant diminishing of dipolar and proton accepting influence of the mobile phase as well as enhancing molar refractivity in excess of the chromatographic systems.
PB  - Elsevier
T2  - Journal of Chromatography A
T1  - Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography
VL  - 1458
SP  - 136
EP  - 144
DO  - 10.1016/j.chroma.2016.06.063
ER  - 
@article{
author = "Andrić, Filip and Šegan, Sandra and Dramićanin, Aleksandra and Majstorovic, Helena and Milojković-Opsenica, Dušanka",
year = "2016",
abstract = "Soil-water partition coefficient normalized to the organic carbon.content (K-OC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established alternative for direct sorption techniques used for K-OC determination. The present work proposes reversed-phase thin-layer chromatography (RP-TLC) as a simpler, yet equally accurate method as officially recommended HPLC technique. Several TLC systems were studied including octadecyl-(RP18) and cyano-(CN) modified silica layers in combination with methanol-water and acetonitrile-water mixtures as mobile phases. In total 50 compounds of different molecular shape, size, and various ability to establish specific interactions were selected (phenols, beznodiazepines, triazine herbicides, and polyaromatic hydrocarbons). Calibration set of 29 compounds with known logK(OC) values determined by sorption experiments was used to build simple univariate calibrations, Principal Component Regression (PCR) and Partial Least Squares (PLS) models between logK(OC) and TLC retention parameters. Models exhibit good statistical performance, indicating that CN-layers contribute better to logK(OC) modeling than RP18-silica. The most promising TLC methods, officially recommended HPLC method, and four in silico estimation approaches have been compared by non-parametric Sum of Ranking Differences approach (SRD). The best estimations of logK(OC) values were achieved by simple univariate calibration of TLC retention data involving CN-silica layers and moderate content of methanol (40-50% v/v). They were ranked far well compared to the officially recommended HPLC method which was ranked in the middle. The worst estimates have been obtained from in silico computations based on octanol-water partition coefficient. Linear Solvation Energy Relationship study revealed that increased polarity of CN-layers over RP18 in combination with methanol-water mixtures is the key to better modeling of logK(OC) through significant diminishing of dipolar and proton accepting influence of the mobile phase as well as enhancing molar refractivity in excess of the chromatographic systems.",
publisher = "Elsevier",
journal = "Journal of Chromatography A",
title = "Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography",
volume = "1458",
pages = "136-144",
doi = "10.1016/j.chroma.2016.06.063"
}
Andrić, F., Šegan, S., Dramićanin, A., Majstorovic, H.,& Milojković-Opsenica, D.. (2016). Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography. in Journal of Chromatography A
Elsevier., 1458, 136-144.
https://doi.org/10.1016/j.chroma.2016.06.063
Andrić F, Šegan S, Dramićanin A, Majstorovic H, Milojković-Opsenica D. Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography. in Journal of Chromatography A. 2016;1458:136-144.
doi:10.1016/j.chroma.2016.06.063 .
Andrić, Filip, Šegan, Sandra, Dramićanin, Aleksandra, Majstorovic, Helena, Milojković-Opsenica, Dušanka, "Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography" in Journal of Chromatography A, 1458 (2016):136-144,
https://doi.org/10.1016/j.chroma.2016.06.063 . .
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