Majstorović, Helena

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507362b9-c842-4071-854e-2be5096af755
  • Majstorović, Helena (2)
  • Majstorović, Helena J. (1)
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Author's Bibliography

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

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

(Elsevier Science Bv, Amsterdam, 2016)

TY  - JOUR
AU  - Andrić, Filip
AU  - Šegan, Sandra B.
AU  - Dramićanin, Aleksandra M.
AU  - Majstorović, Helena
AU  - Milojković-Opsenica, Dušanka
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3561
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 Science Bv, Amsterdam
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 B. 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 Science Bv, Amsterdam",
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. B., 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 Science Bv, Amsterdam., 1458, 136-144.
https://doi.org/10.1016/j.chroma.2016.06.063
Andrić F, Šegan SB, 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 B., 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
9

Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063

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

(Elsevier Science Bv, Amsterdam, 2016)

TY  - DATA
AU  - Andrić, Filip
AU  - Šegan, Sandra B.
AU  - Dramićanin, Aleksandra M.
AU  - Majstorović, Helena
AU  - Milojković-Opsenica, Dušanka
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3562
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Chromatography A
T1  - Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3562
ER  - 
@misc{
author = "Andrić, Filip and Šegan, Sandra B. and Dramićanin, Aleksandra M. and Majstorović, Helena and Milojković-Opsenica, Dušanka",
year = "2016",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Chromatography A",
title = "Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3562"
}
Andrić, F., Šegan, S. B., Dramićanin, A. M., Majstorović, H.,& Milojković-Opsenica, D.. (2016). Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063. in Journal of Chromatography A
Elsevier Science Bv, Amsterdam..
https://hdl.handle.net/21.15107/rcub_cherry_3562
Andrić F, Šegan SB, Dramićanin AM, Majstorović H, Milojković-Opsenica D. Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063. in Journal of Chromatography A. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3562 .
Andrić, Filip, Šegan, Sandra B., Dramićanin, Aleksandra M., Majstorović, Helena, Milojković-Opsenica, Dušanka, "Supplementary data for the article: Andrić, F.; Šegan, S.; Dramićanin, A.; Majstorović, H.; Milojković-Opsenica, D. Linear Modeling of the Soil-Water Partition Coefficient Normalized to Organic Carbon Content by Reversed-Phase Thin-Layer Chromatography. Journal of Chromatography A 2016, 1458, 136–144. https://doi.org/10.1016/j.chroma.2016.06.063" in Journal of Chromatography A (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3562 .

Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji

Majstorović, Helena J.

(Универзитет у Београду, Хемијски факултет, 2016)

TY  - THES
AU  - Majstorović, Helena J.
PY  - 2016
UR  - http://eteze.bg.ac.rs/application/showtheses?thesesId=4946
UR  - https://fedorabg.bg.ac.rs/fedora/get/o:15531/bdef:Content/download
UR  - http://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=48847887
UR  - http://nardus.mpn.gov.rs/123456789/8085
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2729
AB  - Cilj ove disertacije bio je ispitivanje karakteristika i mogućnosti primene cijanomodifikovanog silika-gela kao sorbenta umerene polarnosti za odvajanja kako u normalno-faznoj tako i u reverzno-faznoj planarnoj hromatografiji. Planarna, odnosno tankoslojna hromatografija kao podvrsta tečne hromatografije je odabrana pre svega zbog svoje jednostavnosti, brzine i efikasnosti.Cijano-modifikovani silika-gel, zahvaljujući prisustvu različitih površinskih aktivnih centara (cijano-grupa i alkil-nizova unetih modifikacijom kao i nemodifikovanih silanolnih grupa), može da ostvaruje nekoliko vrsta specifičnihinterakcija sa odvajanim supstancama. Stoga je u okviru ovog rada detaljno proučavano retenciono ponašanje različitih klasa neorganskih i organskih supstanci na tankom sloju pomenutog sorbenta za koje je pretpostavljeno da bi mogle specifično da interaguju pre svega sa cijano-grupama sorbenta i svojim ponašanjem ukažu na učešće ovih aktivnih centara u procesu hromatografskog razdvajanja. U tom smislu, posebna pažnja je posvećena ispitivanju sorbenada koji sadrže aromatične delove strukture, kao što su mešoviti (b-diketonato) i (b-ketoiminato) kompleksi prelaznih metala sa različitim brojem fenil-grupa u molekulu, različiti derivati fenola, kao i triazinski derivati i fenoksikarboksilne kiseline, primenom različitih reverezno-faznih i normalno-faznih hromatografskih sistema. U istom cilju poreñeni su rezultati ispitivanja hromatografskog ponašanja istih analita u različitim hromatografskim sistemima, odnosno na tankim slojevima sorbenata sa definisanim površinskim aktivnim sorpcionim centrima.Pored toga, jedan od ciljeva istraživanja bio je i proširenje primenecijanomodifikovanog silika-gela kao specifičnog sorbenta za hromatografiju hidrofilnih interakcija (Hydrophilic Interaction Liquid Chromatography, HILIC) kao relativno novu hromatografsku tehniku.Takođe, cilj ovoga rada bio je da se, osim teorijskog, istakne i praktičan značajizvedenih hromatografskih odvajanja, pa je stoga u okviru RP hromatografskih uslova proučavana primenljivost cijano-modifikovanog silika-gela kao sorbenta uhromatografskim sistemima koji se koriste za modelovanje zemljište-voda podeonihkoeficijenata normiranih na sadržaj organskog ugljenika (logKOC) kao jednim odključnih parametara koji odreñuju sudbinu organskih jedinjenja u životnoj sredini.
AB  - The aim of this thesis is testing features and possibilities of using cyanomodified silica-gel as a sorbent of medium polarity for separation in both normal-phase and reversed-phase planar chromatography. Planar i.e. thin-layer chromatography as subgroup of liquid chromatography was chosen due to its simplicity, rapidity and efficiency.Cyano-modified silica-gel, due to the presence of various surface-area active centers (cyano-groups and alkyl-chains inserted by modification as well as nonmodified silanol groups), may achieve several types of specific interactions with separated substances. Thus, within this thesis we thoroughly carried out testing of retention behaviour of different inorganic and organic substances on a thin layer of mentioned sorbent that we assume may have specific interaction mainly with cyano groups of sorbent and, consequently indicate the participation of these active centers in the process of chromatographic separation. In that sense, special attention was paid to investigating sorbends which contain aromatic structure parts, such as mixed (β-diketonate) and (β-ketoiminato) complexes of transition metals with different number of phenyl groups in molecule, various derivatives of phenols as well as triazines and phenoxycarboxylic acids by applying different normal-phase and reversed-phase chromatographic systems. With the same aim, we compared chromatographic behaviour of the same analytes in different chromatographic systems, i.e. on thin layers of sorbents with defined surface active sorption centers. Apart from that, one of the aims of this research was to enhance the use of cyano-modified silica-gel as specific sorbent for hydrophilic interaction liquid chromatography (HILIC) as a relatively new chromatographic technique.In addition, the aim of this thesis is to emphasize the practical significance ofstudied chromatographic besides the theoretical one. Thus, within reversed-phasechromatographic conditions, we examined the use of cyano-modified silica-gel assorbent for modeling of soil-water partition coefficients normalized to the organic carbon content (logKoc) as one of the key parameters that define the destiny of organic substances in the environment.
PB  - Универзитет у Београду, Хемијски факултет
T2  - Универзитет у Београду
T1  - Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji
UR  - https://hdl.handle.net/21.15107/rcub_nardus_8085
ER  - 
@phdthesis{
author = "Majstorović, Helena J.",
year = "2016",
abstract = "Cilj ove disertacije bio je ispitivanje karakteristika i mogućnosti primene cijanomodifikovanog silika-gela kao sorbenta umerene polarnosti za odvajanja kako u normalno-faznoj tako i u reverzno-faznoj planarnoj hromatografiji. Planarna, odnosno tankoslojna hromatografija kao podvrsta tečne hromatografije je odabrana pre svega zbog svoje jednostavnosti, brzine i efikasnosti.Cijano-modifikovani silika-gel, zahvaljujući prisustvu različitih površinskih aktivnih centara (cijano-grupa i alkil-nizova unetih modifikacijom kao i nemodifikovanih silanolnih grupa), može da ostvaruje nekoliko vrsta specifičnihinterakcija sa odvajanim supstancama. Stoga je u okviru ovog rada detaljno proučavano retenciono ponašanje različitih klasa neorganskih i organskih supstanci na tankom sloju pomenutog sorbenta za koje je pretpostavljeno da bi mogle specifično da interaguju pre svega sa cijano-grupama sorbenta i svojim ponašanjem ukažu na učešće ovih aktivnih centara u procesu hromatografskog razdvajanja. U tom smislu, posebna pažnja je posvećena ispitivanju sorbenada koji sadrže aromatične delove strukture, kao što su mešoviti (b-diketonato) i (b-ketoiminato) kompleksi prelaznih metala sa različitim brojem fenil-grupa u molekulu, različiti derivati fenola, kao i triazinski derivati i fenoksikarboksilne kiseline, primenom različitih reverezno-faznih i normalno-faznih hromatografskih sistema. U istom cilju poreñeni su rezultati ispitivanja hromatografskog ponašanja istih analita u različitim hromatografskim sistemima, odnosno na tankim slojevima sorbenata sa definisanim površinskim aktivnim sorpcionim centrima.Pored toga, jedan od ciljeva istraživanja bio je i proširenje primenecijanomodifikovanog silika-gela kao specifičnog sorbenta za hromatografiju hidrofilnih interakcija (Hydrophilic Interaction Liquid Chromatography, HILIC) kao relativno novu hromatografsku tehniku.Takođe, cilj ovoga rada bio je da se, osim teorijskog, istakne i praktičan značajizvedenih hromatografskih odvajanja, pa je stoga u okviru RP hromatografskih uslova proučavana primenljivost cijano-modifikovanog silika-gela kao sorbenta uhromatografskim sistemima koji se koriste za modelovanje zemljište-voda podeonihkoeficijenata normiranih na sadržaj organskog ugljenika (logKOC) kao jednim odključnih parametara koji odreñuju sudbinu organskih jedinjenja u životnoj sredini., The aim of this thesis is testing features and possibilities of using cyanomodified silica-gel as a sorbent of medium polarity for separation in both normal-phase and reversed-phase planar chromatography. Planar i.e. thin-layer chromatography as subgroup of liquid chromatography was chosen due to its simplicity, rapidity and efficiency.Cyano-modified silica-gel, due to the presence of various surface-area active centers (cyano-groups and alkyl-chains inserted by modification as well as nonmodified silanol groups), may achieve several types of specific interactions with separated substances. Thus, within this thesis we thoroughly carried out testing of retention behaviour of different inorganic and organic substances on a thin layer of mentioned sorbent that we assume may have specific interaction mainly with cyano groups of sorbent and, consequently indicate the participation of these active centers in the process of chromatographic separation. In that sense, special attention was paid to investigating sorbends which contain aromatic structure parts, such as mixed (β-diketonate) and (β-ketoiminato) complexes of transition metals with different number of phenyl groups in molecule, various derivatives of phenols as well as triazines and phenoxycarboxylic acids by applying different normal-phase and reversed-phase chromatographic systems. With the same aim, we compared chromatographic behaviour of the same analytes in different chromatographic systems, i.e. on thin layers of sorbents with defined surface active sorption centers. Apart from that, one of the aims of this research was to enhance the use of cyano-modified silica-gel as specific sorbent for hydrophilic interaction liquid chromatography (HILIC) as a relatively new chromatographic technique.In addition, the aim of this thesis is to emphasize the practical significance ofstudied chromatographic besides the theoretical one. Thus, within reversed-phasechromatographic conditions, we examined the use of cyano-modified silica-gel assorbent for modeling of soil-water partition coefficients normalized to the organic carbon content (logKoc) as one of the key parameters that define the destiny of organic substances in the environment.",
publisher = "Универзитет у Београду, Хемијски факултет",
journal = "Универзитет у Београду",
title = "Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji",
url = "https://hdl.handle.net/21.15107/rcub_nardus_8085"
}
Majstorović, H. J.. (2016). Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji. in Универзитет у Београду
Универзитет у Београду, Хемијски факултет..
https://hdl.handle.net/21.15107/rcub_nardus_8085
Majstorović HJ. Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji. in Универзитет у Београду. 2016;.
https://hdl.handle.net/21.15107/rcub_nardus_8085 .
Majstorović, Helena J., "Cijano-modifikovani silika-gel kao sorbent u planarnoj hromatografiji" in Универзитет у Београду (2016),
https://hdl.handle.net/21.15107/rcub_nardus_8085 .