Stevanović, Jelena

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  • Stevanović, Jelena (10)

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Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia)

Stevanović, Jelena; Vuković, Nikola; Gross, Doris; Sachsenhofer, Reinhard; Kostić, Aleksandar; Kojić, Ivan; Stojanović, Ksenija

(European Association of Geoscientists and Engineers, 2023)

TY  - CONF
AU  - Stevanović, Jelena
AU  - Vuković, Nikola
AU  - Gross, Doris
AU  - Sachsenhofer, Reinhard
AU  - Kostić, Aleksandar
AU  - Kojić, Ivan
AU  - Stojanović, Ksenija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6400
AB  - In the last two decades, the Turija oil field (SE Pannonian Basin, Serbia) has attracted attention through oil discoveries in new wells. The source rocks of the Turija oil are still unknown. In this study, potential lower Miocene (Ottnangian-Karpatian) to upper Miocene (Pannonian) source rocks from some boreholes near the Turija oil field were investigated to determine the origin, depositional environment, hydrocarbon potential and maturity of organic matter (OM). The Rock-Eval method, biomarker and carbon isotope analyses were used. The obtained results indicate a mixed aquatic-terrestrial (Ottnangian-Karpatian and Badenian) and predominantly aquatic (Badenian and Pannonian) origin of OM, deposited under variable, reducing to oxic conditions. The majority of studied samples show a good oil generation potential. Numerous maturity indicators imply that maturity of OM varies from immature to mature. The large heterogeneity (facies and maturity) of the Badenian samples is consistent with remarkable environmental changes caused by the uplift of the Alps and Carpathians in the middle to late Badenian.
PB  - European Association of Geoscientists and Engineers
C3  - 31st International Meeting on Organic Geochemistry
T1  - Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia)
SP  - 175
EP  - 175
DO  - 10.3997/2214-4609.202333175
ER  - 
@conference{
author = "Stevanović, Jelena and Vuković, Nikola and Gross, Doris and Sachsenhofer, Reinhard and Kostić, Aleksandar and Kojić, Ivan and Stojanović, Ksenija",
year = "2023",
abstract = "In the last two decades, the Turija oil field (SE Pannonian Basin, Serbia) has attracted attention through oil discoveries in new wells. The source rocks of the Turija oil are still unknown. In this study, potential lower Miocene (Ottnangian-Karpatian) to upper Miocene (Pannonian) source rocks from some boreholes near the Turija oil field were investigated to determine the origin, depositional environment, hydrocarbon potential and maturity of organic matter (OM). The Rock-Eval method, biomarker and carbon isotope analyses were used. The obtained results indicate a mixed aquatic-terrestrial (Ottnangian-Karpatian and Badenian) and predominantly aquatic (Badenian and Pannonian) origin of OM, deposited under variable, reducing to oxic conditions. The majority of studied samples show a good oil generation potential. Numerous maturity indicators imply that maturity of OM varies from immature to mature. The large heterogeneity (facies and maturity) of the Badenian samples is consistent with remarkable environmental changes caused by the uplift of the Alps and Carpathians in the middle to late Badenian.",
publisher = "European Association of Geoscientists and Engineers",
journal = "31st International Meeting on Organic Geochemistry",
title = "Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia)",
pages = "175-175",
doi = "10.3997/2214-4609.202333175"
}
Stevanović, J., Vuković, N., Gross, D., Sachsenhofer, R., Kostić, A., Kojić, I.,& Stojanović, K.. (2023). Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia). in 31st International Meeting on Organic Geochemistry
European Association of Geoscientists and Engineers., 175-175.
https://doi.org/10.3997/2214-4609.202333175
Stevanović J, Vuković N, Gross D, Sachsenhofer R, Kostić A, Kojić I, Stojanović K. Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia). in 31st International Meeting on Organic Geochemistry. 2023;:175-175.
doi:10.3997/2214-4609.202333175 .
Stevanović, Jelena, Vuković, Nikola, Gross, Doris, Sachsenhofer, Reinhard, Kostić, Aleksandar, Kojić, Ivan, Stojanović, Ksenija, "Search for the Source Rocks in the Turija Oil Field Region (Se Pannonian Basin, Serbia)" in 31st International Meeting on Organic Geochemistry (2023):175-175,
https://doi.org/10.3997/2214-4609.202333175 . .

Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - DATA
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4822
PB  - Springer
T2  - Petroleum Chemistry
T1  - Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4822
ER  - 
@misc{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4822"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.. in Petroleum Chemistry
Springer..
https://hdl.handle.net/21.15107/rcub_cherry_4822
Stevanović J, Rakitin AR, Stojanović KA. Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.. in Petroleum Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4822 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024." in Petroleum Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4822 .

Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - JOUR
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4853
AB  - The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.
AB  - Целью работы являлось изучение структурно-геохимических характеристик генетически сходных нефтей месторождения Турия-север, расположенного в юго-восточной части Паннонского бассейна на территории Сербии. Методами инфракрасной спектроскопии (ИК) и газожидкостной хроматографии (ГЖХ) были исследованы образцы из 56 скважин. Моделированием области ИК-спектра 2800-3000 см-1 суммой функций Лоренца были выделены вклады валентных колебаний алифатических групп, на основании которых рассчитывалась степень разветвления алканов. Положение пиков поглощения групп CH2 зависит от разветвленности алифатических цепей, смещаясь на 3-4 см-1 в сторону высоких частот при переходе от минимальной к максимальной степени разветвления для рассматриваемой коллекции нефтей, что связано с сопутствующим увеличением доли гош-конформаций в полиметиленовых фрагментах. Согласно данным ГЖХ, нефти месторождения Турия-север близки по степени термической преобразованности, которая соответствует ранней стадии генерирования жидких углеводородов и характеризуются смешанным аквагенно-терригенным происхождением исходного органического вещества (ОВ), сформировавшегося в переходной восстановительно-слабоокислительной обстановке осадконакопления. Степень разветвления алканов показала значимую корреляцию с геохимическими параметрами, позволяя разделить образцы на две группы: нефти группы I с повышенным вкладом водорослей в исходном ОВ и сформировавшиеся в более восстановительных условиях по сравнению с группой II. Полученные результаты на практике демонстрируют преимущество сочетания методов ГЖХ и ИК-спектроскопии для выяснения структуры и геохимических особенностей осадочного ОВ.
PB  - Springer
T2  - Petroleum Chemistry
T1  - Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)
VL  - 61
IS  - 9
SP  - 1002
EP  - 1010
DO  - 10.1134/S0965544121090024
ER  - 
@article{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
abstract = "The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM., Целью работы являлось изучение структурно-геохимических характеристик генетически сходных нефтей месторождения Турия-север, расположенного в юго-восточной части Паннонского бассейна на территории Сербии. Методами инфракрасной спектроскопии (ИК) и газожидкостной хроматографии (ГЖХ) были исследованы образцы из 56 скважин. Моделированием области ИК-спектра 2800-3000 см-1 суммой функций Лоренца были выделены вклады валентных колебаний алифатических групп, на основании которых рассчитывалась степень разветвления алканов. Положение пиков поглощения групп CH2 зависит от разветвленности алифатических цепей, смещаясь на 3-4 см-1 в сторону высоких частот при переходе от минимальной к максимальной степени разветвления для рассматриваемой коллекции нефтей, что связано с сопутствующим увеличением доли гош-конформаций в полиметиленовых фрагментах. Согласно данным ГЖХ, нефти месторождения Турия-север близки по степени термической преобразованности, которая соответствует ранней стадии генерирования жидких углеводородов и характеризуются смешанным аквагенно-терригенным происхождением исходного органического вещества (ОВ), сформировавшегося в переходной восстановительно-слабоокислительной обстановке осадконакопления. Степень разветвления алканов показала значимую корреляцию с геохимическими параметрами, позволяя разделить образцы на две группы: нефти группы I с повышенным вкладом водорослей в исходном ОВ и сформировавшиеся в более восстановительных условиях по сравнению с группой II. Полученные результаты на практике демонстрируют преимущество сочетания методов ГЖХ и ИК-спектроскопии для выяснения структуры и геохимических особенностей осадочного ОВ.",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)",
volume = "61",
number = "9",
pages = "1002-1010",
doi = "10.1134/S0965544121090024"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия). in Petroleum Chemistry
Springer., 61(9), 1002-1010.
https://doi.org/10.1134/S0965544121090024
Stevanović J, Rakitin AR, Stojanović KA. Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия). in Petroleum Chemistry. 2021;61(9):1002-1010.
doi:10.1134/S0965544121090024 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)" in Petroleum Chemistry, 61, no. 9 (2021):1002-1010,
https://doi.org/10.1134/S0965544121090024 . .
1

Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - JOUR
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4821
AB  - The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.
PB  - Springer
T2  - Petroleum Chemistry
T1  - Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia
VL  - 61
IS  - 9
SP  - 1002
EP  - 1010
DO  - 10.1134/S0965544121090024
ER  - 
@article{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
abstract = "The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia",
volume = "61",
number = "9",
pages = "1002-1010",
doi = "10.1134/S0965544121090024"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. in Petroleum Chemistry
Springer., 61(9), 1002-1010.
https://doi.org/10.1134/S0965544121090024
Stevanović J, Rakitin AR, Stojanović KA. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. in Petroleum Chemistry. 2021;61(9):1002-1010.
doi:10.1134/S0965544121090024 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia" in Petroleum Chemistry, 61, no. 9 (2021):1002-1010,
https://doi.org/10.1134/S0965544121090024 . .
1

Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide

Balaž, Ana Marija; Stevanović, Jelena; Ostafe, Raluca; Blazić, Marija; Ilić Đurđić, Karla; Fischer, Rainer; Prodanović, Radivoje

(2020)

TY  - JOUR
AU  - Balaž, Ana Marija
AU  - Stevanović, Jelena
AU  - Ostafe, Raluca
AU  - Blazić, Marija
AU  - Ilić Đurđić, Karla
AU  - Fischer, Rainer
AU  - Prodanović, Radivoje
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4011
AB  - Cellobiose dehydrogenase (CDH, EC 1.1.99.18) from white rot fungi Phanerochaete chrysosporium can be used for constructing biosensors and biofuel cells, for bleaching cotton in textile industry, and recently, the enzyme has found an important application in biomedicine as an antimicrobial and antibiofilm agent. Stability and activity of the wild-type (wt) CDH and mutants at methionine residues in the presence of hydrogen peroxide were investigated. Saturation mutagenesis libraries were made at the only methionine in heme domain M65 and two methionines M685 and M738 in the flavin domain that were closest to the active site. After screening the libraries, three mutants with increased activity and stability in the presence of peroxide were found, M65F with 70% of residual activity after 6 h of incubation in 0.3 M hydrogen peroxide, M738S with 80% of residual activity and M685Y with over 90% of residual activity compared to wild-type CDH that retained 40% of original activity. Combined mutants showed no activity. The most stable mutant M685Y with 5.8 times increased half-life in the presence of peroxide showed also 2.5 times increased kcat for lactose compared to wtCDH and could be good candidate for applications in biofuel cells and biocatalysis for lactobionic acid production.
T2  - Molecular Diversity
T1  - Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide
VL  - 24
IS  - 3
SP  - 593
EP  - 601
DO  - 10.1007/s11030-019-09965-0
ER  - 
@article{
author = "Balaž, Ana Marija and Stevanović, Jelena and Ostafe, Raluca and Blazić, Marija and Ilić Đurđić, Karla and Fischer, Rainer and Prodanović, Radivoje",
year = "2020",
abstract = "Cellobiose dehydrogenase (CDH, EC 1.1.99.18) from white rot fungi Phanerochaete chrysosporium can be used for constructing biosensors and biofuel cells, for bleaching cotton in textile industry, and recently, the enzyme has found an important application in biomedicine as an antimicrobial and antibiofilm agent. Stability and activity of the wild-type (wt) CDH and mutants at methionine residues in the presence of hydrogen peroxide were investigated. Saturation mutagenesis libraries were made at the only methionine in heme domain M65 and two methionines M685 and M738 in the flavin domain that were closest to the active site. After screening the libraries, three mutants with increased activity and stability in the presence of peroxide were found, M65F with 70% of residual activity after 6 h of incubation in 0.3 M hydrogen peroxide, M738S with 80% of residual activity and M685Y with over 90% of residual activity compared to wild-type CDH that retained 40% of original activity. Combined mutants showed no activity. The most stable mutant M685Y with 5.8 times increased half-life in the presence of peroxide showed also 2.5 times increased kcat for lactose compared to wtCDH and could be good candidate for applications in biofuel cells and biocatalysis for lactobionic acid production.",
journal = "Molecular Diversity",
title = "Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide",
volume = "24",
number = "3",
pages = "593-601",
doi = "10.1007/s11030-019-09965-0"
}
Balaž, A. M., Stevanović, J., Ostafe, R., Blazić, M., Ilić Đurđić, K., Fischer, R.,& Prodanović, R.. (2020). Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide. in Molecular Diversity, 24(3), 593-601.
https://doi.org/10.1007/s11030-019-09965-0
Balaž AM, Stevanović J, Ostafe R, Blazić M, Ilić Đurđić K, Fischer R, Prodanović R. Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide. in Molecular Diversity. 2020;24(3):593-601.
doi:10.1007/s11030-019-09965-0 .
Balaž, Ana Marija, Stevanović, Jelena, Ostafe, Raluca, Blazić, Marija, Ilić Đurđić, Karla, Fischer, Rainer, Prodanović, Radivoje, "Semi-rational design of cellobiose dehydrogenase for increased stability in the presence of peroxide" in Molecular Diversity, 24, no. 3 (2020):593-601,
https://doi.org/10.1007/s11030-019-09965-0 . .
7
3
5
5

Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement

Korvinson, Kirill A.; Hargenrader, George N.; Stevanović, Jelena; Xie, Yun; Joseph, Jojo; Maslak, Veselin; Hadad, Christopher M.; Glušač, Ksenija D.

(Amer Chemical Soc, Washington, 2016)

TY  - JOUR
AU  - Korvinson, Kirill A.
AU  - Hargenrader, George N.
AU  - Stevanović, Jelena
AU  - Xie, Yun
AU  - Joseph, Jojo
AU  - Maslak, Veselin
AU  - Hadad, Christopher M.
AU  - Glušač, Ksenija D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3541
AB  - The triplet excited-state formation efficiency in a flavin derivative was increased by the introduction of iodine into the molecular framework. The transient absorption measurements showed that the intersystem crossing rate was 1.1 X 10(10) s(-1) significantly faster than in the parent flavin compound. Furthermore, the photocatalytic efficiency of iodoflavin was evaluated using the oxidation of benzyl alcohol as a model reaction. The benzaldehyde product yields were higher when iodoflavin was used as a photocatalyst, showing that the increased triplet yield directly translates into improved photocatalysis. The iodoflavin catalyst also allowed the use of higher substrate concentrations (since the undesired electron transfer from singlet excited state was minimized), which is expected to improve the practical aspects of photocatalysis by flavins.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
T1  - Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement
VL  - 120
IS  - 37
SP  - 7294
EP  - 7300
DO  - 10.1021/acs.jpca.6b08405
ER  - 
@article{
author = "Korvinson, Kirill A. and Hargenrader, George N. and Stevanović, Jelena and Xie, Yun and Joseph, Jojo and Maslak, Veselin and Hadad, Christopher M. and Glušač, Ksenija D.",
year = "2016",
abstract = "The triplet excited-state formation efficiency in a flavin derivative was increased by the introduction of iodine into the molecular framework. The transient absorption measurements showed that the intersystem crossing rate was 1.1 X 10(10) s(-1) significantly faster than in the parent flavin compound. Furthermore, the photocatalytic efficiency of iodoflavin was evaluated using the oxidation of benzyl alcohol as a model reaction. The benzaldehyde product yields were higher when iodoflavin was used as a photocatalyst, showing that the increased triplet yield directly translates into improved photocatalysis. The iodoflavin catalyst also allowed the use of higher substrate concentrations (since the undesired electron transfer from singlet excited state was minimized), which is expected to improve the practical aspects of photocatalysis by flavins.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th",
title = "Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement",
volume = "120",
number = "37",
pages = "7294-7300",
doi = "10.1021/acs.jpca.6b08405"
}
Korvinson, K. A., Hargenrader, G. N., Stevanović, J., Xie, Y., Joseph, J., Maslak, V., Hadad, C. M.,& Glušač, K. D.. (2016). Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
Amer Chemical Soc, Washington., 120(37), 7294-7300.
https://doi.org/10.1021/acs.jpca.6b08405
Korvinson KA, Hargenrader GN, Stevanović J, Xie Y, Joseph J, Maslak V, Hadad CM, Glušač KD. Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th. 2016;120(37):7294-7300.
doi:10.1021/acs.jpca.6b08405 .
Korvinson, Kirill A., Hargenrader, George N., Stevanović, Jelena, Xie, Yun, Joseph, Jojo, Maslak, Veselin, Hadad, Christopher M., Glušač, Ksenija D., "Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement" in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th, 120, no. 37 (2016):7294-7300,
https://doi.org/10.1021/acs.jpca.6b08405 . .
37
23
34
33

Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 7294–7300. https://doi.org/10.1021/acs.jpca.6b08405

Korvinson, Kirill A.; Hargenrader, George N.; Stevanović, Jelena; Xie, Yun; Joseph, Jojo; Maslak, Veselin; Hadad, Christopher M.; Glušač, Ksenija D.

(Amer Chemical Soc, Washington, 2016)

TY  - DATA
AU  - Korvinson, Kirill A.
AU  - Hargenrader, George N.
AU  - Stevanović, Jelena
AU  - Xie, Yun
AU  - Joseph, Jojo
AU  - Maslak, Veselin
AU  - Hadad, Christopher M.
AU  - Glušač, Ksenija D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3542
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
T1  - Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, 
C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through 
Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 
7294–7300. https://doi.org/10.1021/acs.jpca.6b08405
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3542
ER  - 
@misc{
author = "Korvinson, Kirill A. and Hargenrader, George N. and Stevanović, Jelena and Xie, Yun and Joseph, Jojo and Maslak, Veselin and Hadad, Christopher M. and Glušač, Ksenija D.",
year = "2016",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th",
title = "Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, 
C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through 
Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 
7294–7300. https://doi.org/10.1021/acs.jpca.6b08405",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3542"
}
Korvinson, K. A., Hargenrader, G. N., Stevanović, J., Xie, Y., Joseph, J., Maslak, V., Hadad, C. M.,& Glušač, K. D.. (2016). Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, 
C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through 
Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 
7294–7300. https://doi.org/10.1021/acs.jpca.6b08405. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
Amer Chemical Soc, Washington..
https://hdl.handle.net/21.15107/rcub_cherry_3542
Korvinson KA, Hargenrader GN, Stevanović J, Xie Y, Joseph J, Maslak V, Hadad CM, Glušač KD. Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, 
C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through 
Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 
7294–7300. https://doi.org/10.1021/acs.jpca.6b08405. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3542 .
Korvinson, Kirill A., Hargenrader, George N., Stevanović, Jelena, Xie, Yun, Joseph, Jojo, Maslak, Veselin, Hadad, Christopher M., Glušač, Ksenija D., "Supplementary material for the article: Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.; Hadad, 
C. M.; Glusac, K. D. Improved Flavin-Based Catalytic Photooxidation of Alcohols through 
Intersystem Crossing Rate Enhancement. Journal of Physical Chemistry A 2016, 120 (37), 
7294–7300. https://doi.org/10.1021/acs.jpca.6b08405" in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3542 .

Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement

Korvinson, Kirill A.; Hargenrader, George N.; Stevanović, Jelena; Xie, Yun; Joseph, Jojo; Maslak, Veselin; Hadad, Christopher M.; Glušač, Ksenija D.

(Amer Chemical Soc, Washington, 2016)

TY  - JOUR
AU  - Korvinson, Kirill A.
AU  - Hargenrader, George N.
AU  - Stevanović, Jelena
AU  - Xie, Yun
AU  - Joseph, Jojo
AU  - Maslak, Veselin
AU  - Hadad, Christopher M.
AU  - Glušač, Ksenija D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2315
AB  - The triplet excited-state formation efficiency in a flavin derivative was increased by the introduction of iodine into the molecular framework. The transient absorption measurements showed that the intersystem crossing rate was 1.1 X 10(10) s(-1) significantly faster than in the parent flavin compound. Furthermore, the photocatalytic efficiency of iodoflavin was evaluated using the oxidation of benzyl alcohol as a model reaction. The benzaldehyde product yields were higher when iodoflavin was used as a photocatalyst, showing that the increased triplet yield directly translates into improved photocatalysis. The iodoflavin catalyst also allowed the use of higher substrate concentrations (since the undesired electron transfer from singlet excited state was minimized), which is expected to improve the practical aspects of photocatalysis by flavins.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
T1  - Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement
VL  - 120
IS  - 37
SP  - 7294
EP  - 7300
DO  - 10.1021/acs.jpca.6b08405
ER  - 
@article{
author = "Korvinson, Kirill A. and Hargenrader, George N. and Stevanović, Jelena and Xie, Yun and Joseph, Jojo and Maslak, Veselin and Hadad, Christopher M. and Glušač, Ksenija D.",
year = "2016",
abstract = "The triplet excited-state formation efficiency in a flavin derivative was increased by the introduction of iodine into the molecular framework. The transient absorption measurements showed that the intersystem crossing rate was 1.1 X 10(10) s(-1) significantly faster than in the parent flavin compound. Furthermore, the photocatalytic efficiency of iodoflavin was evaluated using the oxidation of benzyl alcohol as a model reaction. The benzaldehyde product yields were higher when iodoflavin was used as a photocatalyst, showing that the increased triplet yield directly translates into improved photocatalysis. The iodoflavin catalyst also allowed the use of higher substrate concentrations (since the undesired electron transfer from singlet excited state was minimized), which is expected to improve the practical aspects of photocatalysis by flavins.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th",
title = "Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement",
volume = "120",
number = "37",
pages = "7294-7300",
doi = "10.1021/acs.jpca.6b08405"
}
Korvinson, K. A., Hargenrader, G. N., Stevanović, J., Xie, Y., Joseph, J., Maslak, V., Hadad, C. M.,& Glušač, K. D.. (2016). Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th
Amer Chemical Soc, Washington., 120(37), 7294-7300.
https://doi.org/10.1021/acs.jpca.6b08405
Korvinson KA, Hargenrader GN, Stevanović J, Xie Y, Joseph J, Maslak V, Hadad CM, Glušač KD. Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th. 2016;120(37):7294-7300.
doi:10.1021/acs.jpca.6b08405 .
Korvinson, Kirill A., Hargenrader, George N., Stevanović, Jelena, Xie, Yun, Joseph, Jojo, Maslak, Veselin, Hadad, Christopher M., Glušač, Ksenija D., "Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement" in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Th, 120, no. 37 (2016):7294-7300,
https://doi.org/10.1021/acs.jpca.6b08405 . .
37
23
34
33

Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a

Mitrović, Aleksandra D.; Stevanović, Jelena; Milčić, Miloš K.; Zekić, Andrijana; Stanković, Dalibor; Chen, Shigui; Bađić, Jovica D.; Milić, Dragana; Maslak, Veselin

(Royal Soc Chemistry, Cambridge, 2015)

TY  - DATA
AU  - Mitrović, Aleksandra D.
AU  - Stevanović, Jelena
AU  - Milčić, Miloš K.
AU  - Zekić, Andrijana
AU  - Stanković, Dalibor
AU  - Chen, Shigui
AU  - Bađić, Jovica D.
AU  - Milić, Dragana
AU  - Maslak, Veselin
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3369
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3369
ER  - 
@misc{
author = "Mitrović, Aleksandra D. and Stevanović, Jelena and Milčić, Miloš K. and Zekić, Andrijana and Stanković, Dalibor and Chen, Shigui and Bađić, Jovica D. and Milić, Dragana and Maslak, Veselin",
year = "2015",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3369"
}
Mitrović, A. D., Stevanović, J., Milčić, M. K., Zekić, A., Stanković, D., Chen, S., Bađić, J. D., Milić, D.,& Maslak, V.. (2015). Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a. in RSC Advances
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3369
Mitrović AD, Stevanović J, Milčić MK, Zekić A, Stanković D, Chen S, Bađić JD, Milić D, Maslak V. Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a. in RSC Advances. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3369 .
Mitrović, Aleksandra D., Stevanović, Jelena, Milčić, Miloš K., Zekić, Andrijana, Stanković, Dalibor, Chen, Shigui, Bađić, Jovica D., Milić, Dragana, Maslak, Veselin, "Supplementary material for the article: Mitrović, A.; Stevanović, J.; Milčić, M.; Žekić, A.; Stanković, D.; Chen, S.; Badjić, J. D.; Milić, D.; Maslak, V. Fulleropyrrolidine Molecular Dumbbells Act as Multi-Electron-Acceptor Triads. Spectroscopic, Electrochemical, Computational and Morphological Characterizations. RSC Advances 2015, 5 (107), 88241–88248. https://doi.org/10.1039/c5ra16309a" in RSC Advances (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3369 .

Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations

Mitrović, Aleksandra D.; Stevanović, Jelena; Milčić, Miloš K.; Zekić, Andrijana; Stanković, Dalibor; Chen, Shigui; Bađić, Jovica D.; Milić, Dragana; Maslak, Veselin

(Royal Soc Chemistry, Cambridge, 2015)

TY  - JOUR
AU  - Mitrović, Aleksandra D.
AU  - Stevanović, Jelena
AU  - Milčić, Miloš K.
AU  - Zekić, Andrijana
AU  - Stanković, Dalibor
AU  - Chen, Shigui
AU  - Bađić, Jovica D.
AU  - Milić, Dragana
AU  - Maslak, Veselin
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1984
AB  - We synthesized three dumbbell-like compounds 2a-c, each containing two C-60 groups at the periphery and pyromellitic diimide (PMDI) in the middle, and examined their electronic as well as assembly characteristics with both experimental and computational methods. Cyclic voltammetry (CV) measurements revealed that each of three electron-accepting (AAA) triads could accommodate up to eight electrons. Computational studies (density functional theory, DFT) of 2a-c at PBEPBE/6-311G(d, p) level of theory, with B3LYP/6-31G(d) optimized geometries, revealed that HOMO-LUMO energy gaps are similar to those of the model compound [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM). Compounds 2a-c were also found to assemble into vesicles and nanoparticles on the copper grid (100-300 nm, TEM), while giving more sizeable aggregates after a deposition on the glass (SEM,  gt  5 mm). Understanding the packing of 2a-c on various solid substrates, as well as the assembly characteristics in general, is important for tuning the properties and fabrication of electronic/optical devices. On the basis of the results of conformational analysis (MM and DFT calculations), we deduced that different alkyl spacers in 2a-c ought to play a role in pi-pi interactions between the aromatic components of the triad to guide the packing and therefore morphology of the material.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations
VL  - 5
IS  - 107
SP  - 88241
EP  - 88248
DO  - 10.1039/c5ra16309a
ER  - 
@article{
author = "Mitrović, Aleksandra D. and Stevanović, Jelena and Milčić, Miloš K. and Zekić, Andrijana and Stanković, Dalibor and Chen, Shigui and Bađić, Jovica D. and Milić, Dragana and Maslak, Veselin",
year = "2015",
abstract = "We synthesized three dumbbell-like compounds 2a-c, each containing two C-60 groups at the periphery and pyromellitic diimide (PMDI) in the middle, and examined their electronic as well as assembly characteristics with both experimental and computational methods. Cyclic voltammetry (CV) measurements revealed that each of three electron-accepting (AAA) triads could accommodate up to eight electrons. Computational studies (density functional theory, DFT) of 2a-c at PBEPBE/6-311G(d, p) level of theory, with B3LYP/6-31G(d) optimized geometries, revealed that HOMO-LUMO energy gaps are similar to those of the model compound [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM). Compounds 2a-c were also found to assemble into vesicles and nanoparticles on the copper grid (100-300 nm, TEM), while giving more sizeable aggregates after a deposition on the glass (SEM,  gt  5 mm). Understanding the packing of 2a-c on various solid substrates, as well as the assembly characteristics in general, is important for tuning the properties and fabrication of electronic/optical devices. On the basis of the results of conformational analysis (MM and DFT calculations), we deduced that different alkyl spacers in 2a-c ought to play a role in pi-pi interactions between the aromatic components of the triad to guide the packing and therefore morphology of the material.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations",
volume = "5",
number = "107",
pages = "88241-88248",
doi = "10.1039/c5ra16309a"
}
Mitrović, A. D., Stevanović, J., Milčić, M. K., Zekić, A., Stanković, D., Chen, S., Bađić, J. D., Milić, D.,& Maslak, V.. (2015). Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations. in RSC Advances
Royal Soc Chemistry, Cambridge., 5(107), 88241-88248.
https://doi.org/10.1039/c5ra16309a
Mitrović AD, Stevanović J, Milčić MK, Zekić A, Stanković D, Chen S, Bađić JD, Milić D, Maslak V. Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations. in RSC Advances. 2015;5(107):88241-88248.
doi:10.1039/c5ra16309a .
Mitrović, Aleksandra D., Stevanović, Jelena, Milčić, Miloš K., Zekić, Andrijana, Stanković, Dalibor, Chen, Shigui, Bađić, Jovica D., Milić, Dragana, Maslak, Veselin, "Fulleropyrrolidine molecular dumbbells act as multi-electron-acceptor triads. Spectroscopic, electrochemical, computational and morphological characterizations" in RSC Advances, 5, no. 107 (2015):88241-88248,
https://doi.org/10.1039/c5ra16309a . .
7
4
7
6