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Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea

Milićević, Tijana; Herceg Romanić, Snježana; Popović, Aleksandar; Mustać, Bosiljka; Đinović-Stojanović, Jasna; Jovanović, Gordana; Relić, Dubravka

(Elsevier, 2022)

TY  - JOUR
AU  - Milićević, Tijana
AU  - Herceg Romanić, Snježana
AU  - Popović, Aleksandar
AU  - Mustać, Bosiljka
AU  - Đinović-Stojanović, Jasna
AU  - Jovanović, Gordana
AU  - Relić, Dubravka
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0045653521025406
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4664
AB  - Benefits and risks of the fish consumption should be assessed to balance the ingestion of healthy omega-3 fatty acids and adverse chemicals. Persistent organic pollutants-POPs (organochlorine pesticides-OCPs and polychlorinated biphenyls-PCB), macro- and micro-elements and fatty acid contents were determined in six fish species from the Adriatic Sea to assess health risks for consumers (worst-case scenario, diseases development risks and benefit-risk). 16 element, 24 POPs and 14 fatty acid contents were determined in six pelagic species which can be used in human diet. Element concentrations were determined by inductively coupled plasma mass spectrometry (ICP-MS), POPs by high-resolution gas chromatography and fatty acid content by gas–liquid chromatography. Diet based on chub mackerel and round sardinella showed lower daily intake (DI) of POPs and highest DI of essential omega-3 fatty acids than other investigated species. Lower ingestion of toxic elements can be observed by consuming anchovy and round sardinella. Based on POP concentrations, there was not observed non-carcinogenic (HI) nor carcinogenic (CR) risks for consumers. Based on element concentrations, there was low HI (0.1 ≥ HI ≥ 1), while the maximum HIs and outlier values (horse mackerel and anchovy samples) implied the presence of HI (HI > 1). The most significant contributor to total non-carcinogenic and carcinogenic risks was inorganic arsenic (inorganic As). Acceptable CR for consumers was assessed, but maximum CR for consumers of horse mackerel and anchovy (CR ≥ 1 × 10–6) showed adverse effects on human health. There were low HIs for developing cardiovascular, nervous, and reproductive diseases, and maximum HIs were higher than 1. Acceptable (1 × 10−4≥CR ≥ 1 × 10−6) risks were observed for developing cancer of nervous system and reproductive organs. Among investigated fish samples, those with higher ƩBR (benefit-risks) and BR for arsenic (As) than median value have a higher risk than benefits in the human diet.
PB  - Elsevier
T2  - Chemosphere
T1  - Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea
VL  - 287
SP  - 132068
DO  - 10.1016/j.chemosphere.2021.132068
ER  - 
@article{
author = "Milićević, Tijana and Herceg Romanić, Snježana and Popović, Aleksandar and Mustać, Bosiljka and Đinović-Stojanović, Jasna and Jovanović, Gordana and Relić, Dubravka",
year = "2022",
abstract = "Benefits and risks of the fish consumption should be assessed to balance the ingestion of healthy omega-3 fatty acids and adverse chemicals. Persistent organic pollutants-POPs (organochlorine pesticides-OCPs and polychlorinated biphenyls-PCB), macro- and micro-elements and fatty acid contents were determined in six fish species from the Adriatic Sea to assess health risks for consumers (worst-case scenario, diseases development risks and benefit-risk). 16 element, 24 POPs and 14 fatty acid contents were determined in six pelagic species which can be used in human diet. Element concentrations were determined by inductively coupled plasma mass spectrometry (ICP-MS), POPs by high-resolution gas chromatography and fatty acid content by gas–liquid chromatography. Diet based on chub mackerel and round sardinella showed lower daily intake (DI) of POPs and highest DI of essential omega-3 fatty acids than other investigated species. Lower ingestion of toxic elements can be observed by consuming anchovy and round sardinella. Based on POP concentrations, there was not observed non-carcinogenic (HI) nor carcinogenic (CR) risks for consumers. Based on element concentrations, there was low HI (0.1 ≥ HI ≥ 1), while the maximum HIs and outlier values (horse mackerel and anchovy samples) implied the presence of HI (HI > 1). The most significant contributor to total non-carcinogenic and carcinogenic risks was inorganic arsenic (inorganic As). Acceptable CR for consumers was assessed, but maximum CR for consumers of horse mackerel and anchovy (CR ≥ 1 × 10–6) showed adverse effects on human health. There were low HIs for developing cardiovascular, nervous, and reproductive diseases, and maximum HIs were higher than 1. Acceptable (1 × 10−4≥CR ≥ 1 × 10−6) risks were observed for developing cancer of nervous system and reproductive organs. Among investigated fish samples, those with higher ƩBR (benefit-risks) and BR for arsenic (As) than median value have a higher risk than benefits in the human diet.",
publisher = "Elsevier",
journal = "Chemosphere",
title = "Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea",
volume = "287",
pages = "132068",
doi = "10.1016/j.chemosphere.2021.132068"
}
Milićević, T., Herceg Romanić, S., Popović, A., Mustać, B., Đinović-Stojanović, J., Jovanović, G.,& Relić, D.. (2022). Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea. in Chemosphere
Elsevier., 287, 132068.
https://doi.org/10.1016/j.chemosphere.2021.132068
Milićević T, Herceg Romanić S, Popović A, Mustać B, Đinović-Stojanović J, Jovanović G, Relić D. Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea. in Chemosphere. 2022;287:132068.
doi:10.1016/j.chemosphere.2021.132068 .
Milićević, Tijana, Herceg Romanić, Snježana, Popović, Aleksandar, Mustać, Bosiljka, Đinović-Stojanović, Jasna, Jovanović, Gordana, Relić, Dubravka, "Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea" in Chemosphere, 287 (2022):132068,
https://doi.org/10.1016/j.chemosphere.2021.132068 . .

Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.

Milićević, Tijana; Herceg Romanić, Snježana; Popović, Aleksandar; Mustać, Bosiljka; Đinović-Stojanović, Jasna; Jovanović, Gordana; Relić, Dubravka

(Elsevier, 2022)

TY  - DATA
AU  - Milićević, Tijana
AU  - Herceg Romanić, Snježana
AU  - Popović, Aleksandar
AU  - Mustać, Bosiljka
AU  - Đinović-Stojanović, Jasna
AU  - Jovanović, Gordana
AU  - Relić, Dubravka
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0045653521025406
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4665
PB  - Elsevier
T2  - Chemosphere
T1  - Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.
ER  - 
@misc{
author = "Milićević, Tijana and Herceg Romanić, Snježana and Popović, Aleksandar and Mustać, Bosiljka and Đinović-Stojanović, Jasna and Jovanović, Gordana and Relić, Dubravka",
year = "2022",
publisher = "Elsevier",
journal = "Chemosphere",
title = "Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068."
}
Milićević, T., Herceg Romanić, S., Popović, A., Mustać, B., Đinović-Stojanović, J., Jovanović, G.,& Relić, D.. (2022). Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.. in Chemosphere
Elsevier..
Milićević T, Herceg Romanić S, Popović A, Mustać B, Đinović-Stojanović J, Jovanović G, Relić D. Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.. in Chemosphere. 2022;..
Milićević, Tijana, Herceg Romanić, Snježana, Popović, Aleksandar, Mustać, Bosiljka, Đinović-Stojanović, Jasna, Jovanović, Gordana, Relić, Dubravka, "Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068." in Chemosphere (2022).

Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?

Takić, Marija M.; Zeković, Milica; Terzić, Brankica; Stojsavljević, Aleksandar; Mijusković, Mirjana; Rađen, Slavica; Ristić-Medić, Danijela

(Frontiers, 2021)

TY  - JOUR
AU  - Takić, Marija M.
AU  - Zeković, Milica
AU  - Terzić, Brankica
AU  - Stojsavljević, Aleksandar
AU  - Mijusković, Mirjana
AU  - Rađen, Slavica
AU  - Ristić-Medić, Danijela
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4738
AB  - Background: Desaturation and elongation are critical processes in endogenous metabolic fatty acid pathways. Zinc (Zn) is a cofactor for desaturases and elongases enzymes. There is limited evidence regarding the relationships between biomarkers of Zn status, nutritional intake, plasma phospholipid fatty acid profile and clinical outcomes among patients undergoing hemodialysis (HD).Objective: To examine the relationships between dietary and serum levels of Zn and Cu/Zn ratio and to explore associations of these micronutrients with PUFA profile and estimated desaturase and elongase enzyme activities in serum phospholipids among HD patients.Methods: This study included 40 adult patients undergoing hemodialysis treatment. Repeated 24-h recalls were applied for dietary intake assessment. Serum concentration of Zn and Cu were determined using inductively coupled plasma mass spectrometry and fatty acid composition by gas-liquid chromatography. Desaturase and elongase activities were calculated from product-precursor fatty acid ratios.Results: Inadequate dietary Zn intake was found in 55% of HD patients. They all had serum Zn concentration below the reference value of 60 μg/dL (mean 38.8 ± 7.72 μg/dL). Adequate zinc intake was accompanied with significantly higher intake of energy, total fats, SFA, MUFA and proteins. There was no correlation between Zn serum status and Zn intake estimates. Serum Cu/Zn ratio was high, (2.76 ± 0.68), directly and significantly associated with HD period, CRP, BMI, VFA, and inversely with Kt/V, albumin, iron, and iPTH. The n-6/n-3 ratio in plasma phospholipids was elevated (12.25 ± 3.45) and patients with inadequate Zn intake had lower n-3 PUFA intake and status compared to those with adequate intake. Serum Zn concentrations were inversely correlated with linoleic/dihomo-γ-linolenic acid ratio (LA/DGLA) (p = 0.037), related to D6-desaturase activity (p = 0.033) and directly with DGLA relative abundances (p = 0.024). Cu status was inversely associated with EPA level (p = 0.03) and estimates of elongase activity (p = 0.001). Furthermore, positive relationship was found between the Cu/Zn ratio and determined elongase value (p = 0.01).Conclusion: Findings of this study underpin the high prevalence of Zn deficiency and inadequate n-3 PUFA intake and status among subjects undergoing HD. The results obtained indicate that the assessment of Zn status should be a standard parameter of nutritional status screening in HD patients while emphasizing the importance of Cu/Zn determination. Although further research is warranted, Zn and-n-3 PUFA supplementation in HD patients might be beneficial for the prevention and attenuation of adverse health outcomes
PB  - Frontiers
T2  - Frontiers in Nutrition
T1  - Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?
VL  - 8
SP  - 688
DO  - 10.3389/fnut.2021.700450
ER  - 
@article{
author = "Takić, Marija M. and Zeković, Milica and Terzić, Brankica and Stojsavljević, Aleksandar and Mijusković, Mirjana and Rađen, Slavica and Ristić-Medić, Danijela",
year = "2021",
abstract = "Background: Desaturation and elongation are critical processes in endogenous metabolic fatty acid pathways. Zinc (Zn) is a cofactor for desaturases and elongases enzymes. There is limited evidence regarding the relationships between biomarkers of Zn status, nutritional intake, plasma phospholipid fatty acid profile and clinical outcomes among patients undergoing hemodialysis (HD).Objective: To examine the relationships between dietary and serum levels of Zn and Cu/Zn ratio and to explore associations of these micronutrients with PUFA profile and estimated desaturase and elongase enzyme activities in serum phospholipids among HD patients.Methods: This study included 40 adult patients undergoing hemodialysis treatment. Repeated 24-h recalls were applied for dietary intake assessment. Serum concentration of Zn and Cu were determined using inductively coupled plasma mass spectrometry and fatty acid composition by gas-liquid chromatography. Desaturase and elongase activities were calculated from product-precursor fatty acid ratios.Results: Inadequate dietary Zn intake was found in 55% of HD patients. They all had serum Zn concentration below the reference value of 60 μg/dL (mean 38.8 ± 7.72 μg/dL). Adequate zinc intake was accompanied with significantly higher intake of energy, total fats, SFA, MUFA and proteins. There was no correlation between Zn serum status and Zn intake estimates. Serum Cu/Zn ratio was high, (2.76 ± 0.68), directly and significantly associated with HD period, CRP, BMI, VFA, and inversely with Kt/V, albumin, iron, and iPTH. The n-6/n-3 ratio in plasma phospholipids was elevated (12.25 ± 3.45) and patients with inadequate Zn intake had lower n-3 PUFA intake and status compared to those with adequate intake. Serum Zn concentrations were inversely correlated with linoleic/dihomo-γ-linolenic acid ratio (LA/DGLA) (p = 0.037), related to D6-desaturase activity (p = 0.033) and directly with DGLA relative abundances (p = 0.024). Cu status was inversely associated with EPA level (p = 0.03) and estimates of elongase activity (p = 0.001). Furthermore, positive relationship was found between the Cu/Zn ratio and determined elongase value (p = 0.01).Conclusion: Findings of this study underpin the high prevalence of Zn deficiency and inadequate n-3 PUFA intake and status among subjects undergoing HD. The results obtained indicate that the assessment of Zn status should be a standard parameter of nutritional status screening in HD patients while emphasizing the importance of Cu/Zn determination. Although further research is warranted, Zn and-n-3 PUFA supplementation in HD patients might be beneficial for the prevention and attenuation of adverse health outcomes",
publisher = "Frontiers",
journal = "Frontiers in Nutrition",
title = "Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?",
volume = "8",
pages = "688",
doi = "10.3389/fnut.2021.700450"
}
Takić, M. M., Zeković, M., Terzić, B., Stojsavljević, A., Mijusković, M., Rađen, S.,& Ristić-Medić, D.. (2021). Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?. in Frontiers in Nutrition
Frontiers., 8, 688.
https://doi.org/10.3389/fnut.2021.700450
Takić MM, Zeković M, Terzić B, Stojsavljević A, Mijusković M, Rađen S, Ristić-Medić D. Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?. in Frontiers in Nutrition. 2021;8:688.
doi:10.3389/fnut.2021.700450 .
Takić, Marija M., Zeković, Milica, Terzić, Brankica, Stojsavljević, Aleksandar, Mijusković, Mirjana, Rađen, Slavica, Ristić-Medić, Danijela, "Zinc Deficiency, Plasma Fatty Acid Profile and Desaturase Activities in Hemodialysis Patients: Is Supplementation Necessary?" in Frontiers in Nutrition, 8 (2021):688,
https://doi.org/10.3389/fnut.2021.700450 . .
1

Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695.

Đurđić, Slađana; Stanković, Vesna; Ražić, Slavica; Mutić, Jelena

(2021)

TY  - DATA
AU  - Đurđić, Slađana
AU  - Stanković, Vesna
AU  - Ražić, Slavica
AU  - Mutić, Jelena
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4749
T2  - Frontiers in Chemistry
T1  - Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695.
ER  - 
@misc{
author = "Đurđić, Slađana and Stanković, Vesna and Ražić, Slavica and Mutić, Jelena",
year = "2021",
journal = "Frontiers in Chemistry",
title = "Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695."
}
Đurđić, S., Stanković, V., Ražić, S.,& Mutić, J.. (2021). Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695.. in Frontiers in Chemistry.
Đurđić S, Stanković V, Ražić S, Mutić J. Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695.. in Frontiers in Chemistry. 2021;..
Đurđić, Slađana, Stanković, Vesna, Ražić, Slavica, Mutić, Jelena, "Supplementary data for the article: Đurđić, S.; Stanković, V.; Ražić, S.; Mutić, J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment? Frontiers in Chemistry 2021, 9, 842. https://doi.org/10.3389/fchem.2021.746695." in Frontiers in Chemistry (2021).

Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?

Đurđić, Slađana; Stanković, Vesna; Ražić, Slavica; Mutić, Jelena

(2021)

TY  - JOUR
AU  - Đurđić, Slađana
AU  - Stanković, Vesna
AU  - Ražić, Slavica
AU  - Mutić, Jelena
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4748
AB  - Lead isotope ratio pattern (206Pb/207Pb, 208Pb/206Pb, 206Pb/204Pb, 207Pb/204Pb, and 208Pb/204Pb) was analyzed in 59 samples of Serbian wine, from four geographical regions. By utilization of powerful inductively coupled plasma mass spectrometry (ICP-QMS), lead isotope ratios were used as unique “fingerprint”, when combined with multivariate methods of analysis (Principal Component Analysis), provided information on the geographical origin of wine. In validation of ICP- QMS method and quantitative analysis, the certified reference material NIST SRM 981 was employed to test the mass-bias correction and thallium isotopes 203Tl and 205Tl (NIST SRM 997) as an internal standard. The obtained results were discussed in correlation with the corresponding values of LIRs of different European and Australian wines. In addition, the impact of anthropogenic Pb from different sources on the total Pb isotopic composition in Serbian wines was analyzed too. On the other side, the obtained values of Pb content were compared with the applicable health safety standards, according to the International Code of Oenological Practices.
T2  - Frontiers in Chemistry
T1  - Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?
VL  - 9
SP  - 842
DO  - 10.3389/fchem.2021.746695
ER  - 
@article{
author = "Đurđić, Slađana and Stanković, Vesna and Ražić, Slavica and Mutić, Jelena",
year = "2021",
abstract = "Lead isotope ratio pattern (206Pb/207Pb, 208Pb/206Pb, 206Pb/204Pb, 207Pb/204Pb, and 208Pb/204Pb) was analyzed in 59 samples of Serbian wine, from four geographical regions. By utilization of powerful inductively coupled plasma mass spectrometry (ICP-QMS), lead isotope ratios were used as unique “fingerprint”, when combined with multivariate methods of analysis (Principal Component Analysis), provided information on the geographical origin of wine. In validation of ICP- QMS method and quantitative analysis, the certified reference material NIST SRM 981 was employed to test the mass-bias correction and thallium isotopes 203Tl and 205Tl (NIST SRM 997) as an internal standard. The obtained results were discussed in correlation with the corresponding values of LIRs of different European and Australian wines. In addition, the impact of anthropogenic Pb from different sources on the total Pb isotopic composition in Serbian wines was analyzed too. On the other side, the obtained values of Pb content were compared with the applicable health safety standards, according to the International Code of Oenological Practices.",
journal = "Frontiers in Chemistry",
title = "Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?",
volume = "9",
pages = "842",
doi = "10.3389/fchem.2021.746695"
}
Đurđić, S., Stanković, V., Ražić, S.,& Mutić, J.. (2021). Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?. in Frontiers in Chemistry, 9, 842.
https://doi.org/10.3389/fchem.2021.746695
Đurđić S, Stanković V, Ražić S, Mutić J. Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?. in Frontiers in Chemistry. 2021;9:842.
doi:10.3389/fchem.2021.746695 .
Đurđić, Slađana, Stanković, Vesna, Ražić, Slavica, Mutić, Jelena, "Is a Lead Isotope Ratios in Wine Good Marker for Origin Assessment?" in Frontiers in Chemistry, 9 (2021):842,
https://doi.org/10.3389/fchem.2021.746695 . .
1

Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules

Veljković, Ivana S.; Kretić, Danijela S.; Veljković, Dušan Ž.

(The Royal Society of Chemistry, 2021)

TY  - JOUR
AU  - Veljković, Ivana S.
AU  - Kretić, Danijela S.
AU  - Veljković, Dušan Ž.
PY  - 2021
UR  - https://pubs.rsc.org/en/content/articlelanding/2021/ce/d1ce00129a
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4430
AB  - Non-covalent selenium–selenium interactions between selenium-containing organic molecules were studied in crystal structures from the Cambridge Structural Database and by high-level quantum chemical calculations. Se⋯Se contacts in the crystal structures were analyzed, and the most frequent patterns were identified and used to design the model systems for quantum chemical calculations. The strongest calculated Se⋯Se interaction (ΔECCSD(T)/CBS = −2.31 kcal mol−1) was identified in the model system with a mutual parallel orientation of interacting molecules. In the crystal structures, this orientation of molecules is predominant. In the geometry with the σ-hole bonding, the interaction is somewhat weaker (ΔECCSD(T)/CBS = −2.13 kcal mol−1). NCI analysis showed that Se⋯Se interaction in the most stable geometries is further enhanced by hydrogen bonding of Se–H⋯Se or C–H⋯Se type. The results of energy decomposition analysis (SAPT) calculations revealed that the nature of the Se⋯Se interaction is predominantly dispersive with a strong electrostatic contribution. The results of the energy decomposition analysis also suggest that the electrostatic component has a crucial role in defining the geometry of selenium–selenium interactions due to their directional nature.
PB  - The Royal Society of Chemistry
T2  - CrystEngComm
T2  - CrystEngCommCrystEngComm
T1  - Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules
VL  - 23
IS  - 18
SP  - 3383
EP  - 3390
DO  - 10.1039/D1CE00129A
ER  - 
@article{
author = "Veljković, Ivana S. and Kretić, Danijela S. and Veljković, Dušan Ž.",
year = "2021",
abstract = "Non-covalent selenium–selenium interactions between selenium-containing organic molecules were studied in crystal structures from the Cambridge Structural Database and by high-level quantum chemical calculations. Se⋯Se contacts in the crystal structures were analyzed, and the most frequent patterns were identified and used to design the model systems for quantum chemical calculations. The strongest calculated Se⋯Se interaction (ΔECCSD(T)/CBS = −2.31 kcal mol−1) was identified in the model system with a mutual parallel orientation of interacting molecules. In the crystal structures, this orientation of molecules is predominant. In the geometry with the σ-hole bonding, the interaction is somewhat weaker (ΔECCSD(T)/CBS = −2.13 kcal mol−1). NCI analysis showed that Se⋯Se interaction in the most stable geometries is further enhanced by hydrogen bonding of Se–H⋯Se or C–H⋯Se type. The results of energy decomposition analysis (SAPT) calculations revealed that the nature of the Se⋯Se interaction is predominantly dispersive with a strong electrostatic contribution. The results of the energy decomposition analysis also suggest that the electrostatic component has a crucial role in defining the geometry of selenium–selenium interactions due to their directional nature.",
publisher = "The Royal Society of Chemistry",
journal = "CrystEngComm, CrystEngCommCrystEngComm",
title = "Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules",
volume = "23",
number = "18",
pages = "3383-3390",
doi = "10.1039/D1CE00129A"
}
Veljković, I. S., Kretić, D. S.,& Veljković, D. Ž.. (2021). Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules. in CrystEngComm
The Royal Society of Chemistry., 23(18), 3383-3390.
https://doi.org/10.1039/D1CE00129A
Veljković IS, Kretić DS, Veljković DŽ. Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules. in CrystEngComm. 2021;23(18):3383-3390.
doi:10.1039/D1CE00129A .
Veljković, Ivana S., Kretić, Danijela S., Veljković, Dušan Ž., "Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules" in CrystEngComm, 23, no. 18 (2021):3383-3390,
https://doi.org/10.1039/D1CE00129A . .

Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A.

Veljković, Ivana S.; Kretić, Danijela S.; Veljković, Dušan Ž.

(The Royal Society of Chemistry, 2021)

TY  - DATA
AU  - Veljković, Ivana S.
AU  - Kretić, Danijela S.
AU  - Veljković, Dušan Ž.
PY  - 2021
UR  - https://pubs.rsc.org/en/content/articlelanding/2021/ce/d1ce00129a
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4431
PB  - The Royal Society of Chemistry
T2  - CrystEngComm
T2  - CrystEngCommCrystEngComm
T1  - Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A.
ER  - 
@misc{
author = "Veljković, Ivana S. and Kretić, Danijela S. and Veljković, Dušan Ž.",
year = "2021",
publisher = "The Royal Society of Chemistry",
journal = "CrystEngComm, CrystEngCommCrystEngComm",
title = "Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A."
}
Veljković, I. S., Kretić, D. S.,& Veljković, D. Ž.. (2021). Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A.. in CrystEngComm
The Royal Society of Chemistry..
Veljković IS, Kretić DS, Veljković DŽ. Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A.. in CrystEngComm. 2021;..
Veljković, Ivana S., Kretić, Danijela S., Veljković, Dušan Ž., "Supplementary data for the article: Veljković, I. S.; Kretić, D. S.; Veljković, D. Ž. Geometrical and Energetic Characteristics of Se⋯Se Interactions in Crystal Structures of Organoselenium Molecules. CrystEngComm 2021, 23 (18), 3383–3390. https://doi.org/10.1039/D1CE00129A." in CrystEngComm (2021).

Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds

Kretić, Danijela S.; Radovanović, Jelena I.; Veljković, Dušan Ž

(2021)

TY  - JOUR
AU  - Kretić, Danijela S.
AU  - Radovanović, Jelena I.
AU  - Veljković, Dušan Ž
PY  - 2021
UR  - https://pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp00189b
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4527
AB  - Strongly positive electrostatic potential in the central areas of molecules of energetic materials is one of the most important factors that determines the sensitivity of these molecules towards detonation. Quantum chemical and density functional theory calculations were used to reveal the influence of hydrogen bonding on the values of electrostatic potential above the central areas of molecules of three conventional explosives: 1,3,5-trinitrobenzene, 2,4,6-trinitrophenol, and 2,4,6-trinitrotoluene. Both the case when energetic molecules act as hydrogen atom donors and when they act as hydrogen atom acceptors were considered. Results of the calculations performed using the M06/cc-PVDZ level of theory showed that there are significant differences in the influence of hydrogen bonding on the electrostatic potential of energetic molecules acting as hydrogen atom donors and hydrogen atom acceptors. In the case when energetic molecules act as hydrogen acceptors, an increase of 10% in the strength of positive electrostatic potential was identified. In the case when energetic molecules act as hydrogen atom donors, a significant decrease (20–25%) in the strength of the positive potential on the molecular surface was calculated. These differences give an opportunity for fine-tuning the impact sensitivities of energetic compounds and provide new guidelines for the design of explosives with desirable characteristics.
T2  - Physical Chemistry Chemical Physics
T2  - Physical Chemistry Chemical PhysicsPhys. Chem. Chem. Phys.
T1  - Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds
VL  - 23
IS  - 12
SP  - 7472
EP  - 7479
DO  - 10.1039/D1CP00189B
ER  - 
@article{
author = "Kretić, Danijela S. and Radovanović, Jelena I. and Veljković, Dušan Ž",
year = "2021",
abstract = "Strongly positive electrostatic potential in the central areas of molecules of energetic materials is one of the most important factors that determines the sensitivity of these molecules towards detonation. Quantum chemical and density functional theory calculations were used to reveal the influence of hydrogen bonding on the values of electrostatic potential above the central areas of molecules of three conventional explosives: 1,3,5-trinitrobenzene, 2,4,6-trinitrophenol, and 2,4,6-trinitrotoluene. Both the case when energetic molecules act as hydrogen atom donors and when they act as hydrogen atom acceptors were considered. Results of the calculations performed using the M06/cc-PVDZ level of theory showed that there are significant differences in the influence of hydrogen bonding on the electrostatic potential of energetic molecules acting as hydrogen atom donors and hydrogen atom acceptors. In the case when energetic molecules act as hydrogen acceptors, an increase of 10% in the strength of positive electrostatic potential was identified. In the case when energetic molecules act as hydrogen atom donors, a significant decrease (20–25%) in the strength of the positive potential on the molecular surface was calculated. These differences give an opportunity for fine-tuning the impact sensitivities of energetic compounds and provide new guidelines for the design of explosives with desirable characteristics.",
journal = "Physical Chemistry Chemical Physics, Physical Chemistry Chemical PhysicsPhys. Chem. Chem. Phys.",
title = "Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds",
volume = "23",
number = "12",
pages = "7472-7479",
doi = "10.1039/D1CP00189B"
}
Kretić, D. S., Radovanović, J. I.,& Veljković, D. Ž.. (2021). Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds. in Physical Chemistry Chemical Physics, 23(12), 7472-7479.
https://doi.org/10.1039/D1CP00189B
Kretić DS, Radovanović JI, Veljković DŽ. Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds. in Physical Chemistry Chemical Physics. 2021;23(12):7472-7479.
doi:10.1039/D1CP00189B .
Kretić, Danijela S., Radovanović, Jelena I., Veljković, Dušan Ž, "Can the sensitivity of energetic materials be tuned by using hydrogen bonds? Another look at the role of hydrogen bonding in the design of high energetic compounds" in Physical Chemistry Chemical Physics, 23, no. 12 (2021):7472-7479,
https://doi.org/10.1039/D1CP00189B . .
1
3
1
2

Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B.

Kretić, Danijela S.; Radovanović, Jelena I.; Veljković, Dušan Ž

(2021)

TY  - DATA
AU  - Kretić, Danijela S.
AU  - Radovanović, Jelena I.
AU  - Veljković, Dušan Ž
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4528
T2  - Physical Chemistry Chemical Physics
T1  - Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B.
ER  - 
@misc{
author = "Kretić, Danijela S. and Radovanović, Jelena I. and Veljković, Dušan Ž",
year = "2021",
journal = "Physical Chemistry Chemical Physics",
title = "Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B."
}
Kretić, D. S., Radovanović, J. I.,& Veljković, D. Ž.. (2021). Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B.. in Physical Chemistry Chemical Physics.
Kretić DS, Radovanović JI, Veljković DŽ. Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B.. in Physical Chemistry Chemical Physics. 2021;..
Kretić, Danijela S., Radovanović, Jelena I., Veljković, Dušan Ž, "Supplementary data for the article: Kretić, D. S.; Radovanović, J. I.; Veljković, D. Ž. Can the Sensitivity of Energetic Materials Be Tuned by Using Hydrogen Bonds? Another Look at the Role of Hydrogen Bonding in the Design of High Energetic Compounds. Phys. Chem. Chem. Phys. 2021, 23 (12), 7472–7479. https://doi.org/10.1039/D1CP00189B." in Physical Chemistry Chemical Physics (2021).

Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula

Radovanović, Jelena

(2021)

TY  - THES
AU  - Radovanović, Jelena
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4557
AB  - Poznato je da je elektrostatički potencijal na površini molekula jedan od ključnih faktora za predviđanje osetljivosti eksploziva i da veća pozitivnost potencijala rezultuje osetljivijim eksplozivom. U ovoj studiji su ispitani nitro derivati benzena, naftalena, antracena i tetracena primenom B3LYP metode sa CC-PVDZ baznim setom. Na osnovu dobijenih mapa elektrostatičkog potencijala, utvrđeno je da povećanje broja prstenova u molekulu ima uticaj na smanjenje pozitivnosti potencijala u centru molekula. Takođe, pokazano je da raspored i blizina nitro grupa u molekulu imaju uticaj na vrednosti potencijala u kritičnim tačkama. Ispitan je i uticaj hloro i formil grupe na elektrostatički potencijal u centru nitro derivata antracena i tetracena, pri čemu su dobijene pozitivnije vrednosti potencijala. Ovi rezultati mogu poslužiti za dizajniranje novih, manje osetljivih visokoenergetskih materijala.
T1  - Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula
SP  - 1
EP  - 63
ER  - 
@mastersthesis{
author = "Radovanović, Jelena",
year = "2021",
abstract = "Poznato je da je elektrostatički potencijal na površini molekula jedan od ključnih faktora za predviđanje osetljivosti eksploziva i da veća pozitivnost potencijala rezultuje osetljivijim eksplozivom. U ovoj studiji su ispitani nitro derivati benzena, naftalena, antracena i tetracena primenom B3LYP metode sa CC-PVDZ baznim setom. Na osnovu dobijenih mapa elektrostatičkog potencijala, utvrđeno je da povećanje broja prstenova u molekulu ima uticaj na smanjenje pozitivnosti potencijala u centru molekula. Takođe, pokazano je da raspored i blizina nitro grupa u molekulu imaju uticaj na vrednosti potencijala u kritičnim tačkama. Ispitan je i uticaj hloro i formil grupe na elektrostatički potencijal u centru nitro derivata antracena i tetracena, pri čemu su dobijene pozitivnije vrednosti potencijala. Ovi rezultati mogu poslužiti za dizajniranje novih, manje osetljivih visokoenergetskih materijala.",
title = "Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula",
pages = "1-63"
}
Radovanović, J.. (2021). Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula. , 1-63.
Radovanović J. Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula. 2021;:1-63..
Radovanović, Jelena, "Uticaj veličine aromatičnog sistema na karakteristike nitroaromatičnih energetskih molekula" (2021):1-63.

Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I)

Uletilović, Nevena

(2021)

TY  - THES
AU  - Uletilović, Nevena
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4653
AB  - U okviru ovog rada, ispitivana je priroda O-N···M interakcija između O-N fragmenta molekula vode i kvadratno-planarnog acetilacetonato kompleksa [M(acac)L2], gde su kao metali korišćeni Pt(II), Ir(I), Pd(II) i Rh(I), a kao ligandi etilendiamin, H2O, CO, CN− i OH−. Urađeni su proračuni dekompozicije ukupne energije za model sisteme u kojima su prisutne O-N···M interakcije primenom SAPT0 metode i aug-cc-pvdz baznog seta. Rezultati koji su dobijeni ovim proračunima nam ukazuju da su najjače interakcije ostvarene u model sistemu [Rh(acac)(en)]∙∙∙HON gde ukupna energija iznosi −8,69 kcal/mol. Ove interakcije su prevashodno elektrostatičke prirode, s obzirom da u stabilizaciji energije interakcije, elektrostatika ima najveći doprinos u odnosu na ostale komponente ukupne energije. Kod slabijih O-N···M interakcija, disperzija ima najveći uticaj na takvu prirodu interakcije. Navedena vrednost ukupne interakcije od −8,69 kcal/mol takođe pokazuje da O–H···M interakcije grade značajno jače interakcije nego kod klasične vodonične veze između dva molekula vode gde je ΔE = −4,43 kcal/mol. Zapaženo je da se najjače interakcije ostvaruju kod kompleksa gde su metali iridijum i rodijum, i kada se kao ligand koristi etilendiamin.
T1  - Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I)
SP  - 2
EP  - 41
ER  - 
@mastersthesis{
author = "Uletilović, Nevena",
year = "2021",
abstract = "U okviru ovog rada, ispitivana je priroda O-N···M interakcija između O-N fragmenta molekula vode i kvadratno-planarnog acetilacetonato kompleksa [M(acac)L2], gde su kao metali korišćeni Pt(II), Ir(I), Pd(II) i Rh(I), a kao ligandi etilendiamin, H2O, CO, CN− i OH−. Urađeni su proračuni dekompozicije ukupne energije za model sisteme u kojima su prisutne O-N···M interakcije primenom SAPT0 metode i aug-cc-pvdz baznog seta. Rezultati koji su dobijeni ovim proračunima nam ukazuju da su najjače interakcije ostvarene u model sistemu [Rh(acac)(en)]∙∙∙HON gde ukupna energija iznosi −8,69 kcal/mol. Ove interakcije su prevashodno elektrostatičke prirode, s obzirom da u stabilizaciji energije interakcije, elektrostatika ima najveći doprinos u odnosu na ostale komponente ukupne energije. Kod slabijih O-N···M interakcija, disperzija ima najveći uticaj na takvu prirodu interakcije. Navedena vrednost ukupne interakcije od −8,69 kcal/mol takođe pokazuje da O–H···M interakcije grade značajno jače interakcije nego kod klasične vodonične veze između dva molekula vode gde je ΔE = −4,43 kcal/mol. Zapaženo je da se najjače interakcije ostvaruju kod kompleksa gde su metali iridijum i rodijum, i kada se kao ligand koristi etilendiamin.",
title = "Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I)",
pages = "2-41"
}
Uletilović, N.. (2021). Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I). , 2-41.
Uletilović N. Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I). 2021;:2-41..
Uletilović, Nevena, "Kvantnohemijsko proučavanje prirode O-N···M interakcija između molekula vode i kvadratno-planarnih helatnih kompleksa Pt(II), Ir(I), Pd(II) i Rh(I)" (2021):2-41.

Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala

Marković, Nikola

(2021)

TY  - THES
AU  - Marković, Nikola
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4654
AB  - U ovom radu je proučavan uticaj supstitucije metil grupa, kao i atoma vodonika iz acetilacetonatnog liganda elektronodvlačećim nitro grupama na raspodelu elektrostatičkog potencijala (ESP) u helatnim kompleksima nikla, kobalta i bakra, kao i na vrednost lokalnog maksimuma ESP-a (Vs, max) u pojedinim regijima. Optimizacija geometrije je urađena B3LYP metodom i cc-PVDz baznim setom i na istom nivou teorije su izračunate mape elektrostatičkog potencijala. U slučaju kompleksa kobalta i nikla praćana je promena Vs, max vrednosti u centru helatnog prstena, dok je u slučaju bakra praćena promena Vs, max vrednosti na metalnom jonu. U svim slučajevima je uočen trend da sa povećanjem broja nitro supstituenata raste vrednost lokalnog maksimuma ESP-a u datim regijama. Predloženo je nekoliko relacija između elektrostatičkog potencijala na površini molekula i njegove osetljivosti na udar, izraženu kao h50 vrednost, kao alat za predikciju ove osobine. Rezultati dobijeni u ovom radu mogu poslužiti kao početni korak u dizajnu novih helatnih visokoenergetskih materijala, koji pokazuju dosta boljih karakteristika od tradicionalnih.
T1  - Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala
SP  - 2
EP  - 42
ER  - 
@mastersthesis{
author = "Marković, Nikola",
year = "2021",
abstract = "U ovom radu je proučavan uticaj supstitucije metil grupa, kao i atoma vodonika iz acetilacetonatnog liganda elektronodvlačećim nitro grupama na raspodelu elektrostatičkog potencijala (ESP) u helatnim kompleksima nikla, kobalta i bakra, kao i na vrednost lokalnog maksimuma ESP-a (Vs, max) u pojedinim regijima. Optimizacija geometrije je urađena B3LYP metodom i cc-PVDz baznim setom i na istom nivou teorije su izračunate mape elektrostatičkog potencijala. U slučaju kompleksa kobalta i nikla praćana je promena Vs, max vrednosti u centru helatnog prstena, dok je u slučaju bakra praćena promena Vs, max vrednosti na metalnom jonu. U svim slučajevima je uočen trend da sa povećanjem broja nitro supstituenata raste vrednost lokalnog maksimuma ESP-a u datim regijama. Predloženo je nekoliko relacija između elektrostatičkog potencijala na površini molekula i njegove osetljivosti na udar, izraženu kao h50 vrednost, kao alat za predikciju ove osobine. Rezultati dobijeni u ovom radu mogu poslužiti kao početni korak u dizajnu novih helatnih visokoenergetskih materijala, koji pokazuju dosta boljih karakteristika od tradicionalnih.",
title = "Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala",
pages = "2-42"
}
Marković, N.. (2021). Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala. , 2-42.
Marković N. Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala. 2021;:2-42..
Marković, Nikola, "Uticaj supstitucije metil grupa nitro grupama u helatnim kompleksima kobalta, nikla i bakra na vrednosti elektrostatičkog potencijala" (2021):2-42.

Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations

Đunović, Aleksandra B.; Veljković, Dušan Ž

(2021)

TY  - JOUR
AU  - Đunović, Aleksandra B.
AU  - Veljković, Dušan Ž
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4750
AB  - Positive electrostatic potential over the central area of the molecular surface is one of the main characteristics of high energetic materials (HEMs) that determines their sensitivity towards detonation. The influence of halogen bonds on the values of the electrostatic potential of selected HEM molecules was studied in crystal structures extracted from the Cambridge Structural Database and by quantum chemical calculations. Analysis of halogen bonds in crystal structures containing halogen-substituted 2,4,6-trinitrophenyl fragments showed that these groups form halogen bonds (183 contacts). Analysis of electrostatic potential maps calculated for geometries of non-halogen bonded and halogen bonded HEM molecules extracted from crystal structures showed that halogen bonding modifies electrostatic potential in the centers of these compounds. Since in selected crystal structures other types of non-covalent interactions were also present, quantum chemical calculations on model systems were used to reveal and quantitatively describe the influence of halogen bonds on the electrostatic potential of selected HEM molecules. These results could be used for the design of new classes of halogen-containing high energetic molecules with reduced sensitivities towards detonation.
T1  - Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations
VL  - 23
IS  - 39
SP  - 6915
EP  - 6922
DO  - 10.1039/D1CE00854D
ER  - 
@article{
author = "Đunović, Aleksandra B. and Veljković, Dušan Ž",
year = "2021",
abstract = "Positive electrostatic potential over the central area of the molecular surface is one of the main characteristics of high energetic materials (HEMs) that determines their sensitivity towards detonation. The influence of halogen bonds on the values of the electrostatic potential of selected HEM molecules was studied in crystal structures extracted from the Cambridge Structural Database and by quantum chemical calculations. Analysis of halogen bonds in crystal structures containing halogen-substituted 2,4,6-trinitrophenyl fragments showed that these groups form halogen bonds (183 contacts). Analysis of electrostatic potential maps calculated for geometries of non-halogen bonded and halogen bonded HEM molecules extracted from crystal structures showed that halogen bonding modifies electrostatic potential in the centers of these compounds. Since in selected crystal structures other types of non-covalent interactions were also present, quantum chemical calculations on model systems were used to reveal and quantitatively describe the influence of halogen bonds on the electrostatic potential of selected HEM molecules. These results could be used for the design of new classes of halogen-containing high energetic molecules with reduced sensitivities towards detonation.",
title = "Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations",
volume = "23",
number = "39",
pages = "6915-6922",
doi = "10.1039/D1CE00854D"
}
Đunović, A. B.,& Veljković, D. Ž.. (2021). Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations. , 23(39), 6915-6922.
https://doi.org/10.1039/D1CE00854D
Đunović AB, Veljković DŽ. Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations. 2021;23(39):6915-6922.
doi:10.1039/D1CE00854D .
Đunović, Aleksandra B., Veljković, Dušan Ž, "Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations", 23, no. 39 (2021):6915-6922,
https://doi.org/10.1039/D1CE00854D . .

Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D.

Đunović, Aleksandra B.; Veljković, Dušan Ž

(Royal Society of Chemistry, 2021)

TY  - DATA
AU  - Đunović, Aleksandra B.
AU  - Veljković, Dušan Ž
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4751
PB  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D.
ER  - 
@misc{
author = "Đunović, Aleksandra B. and Veljković, Dušan Ž",
year = "2021",
publisher = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D."
}
Đunović, A. B.,& Veljković, D. Ž.. (2021). Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D.. in CrystEngComm
Royal Society of Chemistry..
Đunović AB, Veljković DŽ. Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D.. in CrystEngComm. 2021;..
Đunović, Aleksandra B., Veljković, Dušan Ž, "Supplementary data for the article: Đunović, A. B.; Veljković, D. Ž. Halogen Bonds as a Tool in the Design of High Energetic Materials: Evidence from Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2021, 23 (39), 6915–6922. https://doi.org/10.1039/D1CE00854D." in CrystEngComm (2021).

Methanol Electrooxidation on Pt/RuO2 Catalyst

Spasojević, Milica; Ribić-Zelenović, Lenka; Spasojević, Miroslav D.; Marković, Dušan

(Springer, 2021)

TY  - JOUR
AU  - Spasojević, Milica
AU  - Ribić-Zelenović, Lenka
AU  - Spasojević, Miroslav D.
AU  - Marković, Dušan
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4742
AB  - A catalytic coating, composed of a mixture of nanocrystals of Pt and RuO2, used for oxidation of CH3OH, was formed by the thermal procedure. The size of the RuO2 nanocrystals was increasing and of Pt was decreasing with increasing the content of RuO2. The optimal coating composition depended on potential. At more positive potentials, the optimal coatings contained lower amounts of RuO2. The oxidation reaction of CH3OH on the coatings with the RuO2 content higher than optimal, was determined by dehydrogenization of CH3OH. At lower amounts of RuO2, oxidation of CH3OH was determined by the oxidation reaction of intermediates COad with oxy species of ruthenium. The catalytic effect was caused by a bifunctional mechanism. The bifunctional mechanism is based on the fact that oxy species were formed on Ru at more negative potentials than on Pt. These oxy species oxidized COad intermediates, bound to adjacent Pt atoms and thus discharged them for dehydrogenation of the subsequent CH3OH molecules.
PB  - Springer
T2  - Russian Journal of Electrochemistry
T1  - Methanol Electrooxidation on Pt/RuO2 Catalyst
VL  - 57
IS  - 7
SP  - 795
EP  - 807
DO  - 10.1134/S1023193520120253
ER  - 
@article{
author = "Spasojević, Milica and Ribić-Zelenović, Lenka and Spasojević, Miroslav D. and Marković, Dušan",
year = "2021",
abstract = "A catalytic coating, composed of a mixture of nanocrystals of Pt and RuO2, used for oxidation of CH3OH, was formed by the thermal procedure. The size of the RuO2 nanocrystals was increasing and of Pt was decreasing with increasing the content of RuO2. The optimal coating composition depended on potential. At more positive potentials, the optimal coatings contained lower amounts of RuO2. The oxidation reaction of CH3OH on the coatings with the RuO2 content higher than optimal, was determined by dehydrogenization of CH3OH. At lower amounts of RuO2, oxidation of CH3OH was determined by the oxidation reaction of intermediates COad with oxy species of ruthenium. The catalytic effect was caused by a bifunctional mechanism. The bifunctional mechanism is based on the fact that oxy species were formed on Ru at more negative potentials than on Pt. These oxy species oxidized COad intermediates, bound to adjacent Pt atoms and thus discharged them for dehydrogenation of the subsequent CH3OH molecules.",
publisher = "Springer",
journal = "Russian Journal of Electrochemistry",
title = "Methanol Electrooxidation on Pt/RuO2 Catalyst",
volume = "57",
number = "7",
pages = "795-807",
doi = "10.1134/S1023193520120253"
}
Spasojević, M., Ribić-Zelenović, L., Spasojević, M. D.,& Marković, D.. (2021). Methanol Electrooxidation on Pt/RuO2 Catalyst. in Russian Journal of Electrochemistry
Springer., 57(7), 795-807.
https://doi.org/10.1134/S1023193520120253
Spasojević M, Ribić-Zelenović L, Spasojević MD, Marković D. Methanol Electrooxidation on Pt/RuO2 Catalyst. in Russian Journal of Electrochemistry. 2021;57(7):795-807.
doi:10.1134/S1023193520120253 .
Spasojević, Milica, Ribić-Zelenović, Lenka, Spasojević, Miroslav D., Marković, Dušan, "Methanol Electrooxidation on Pt/RuO2 Catalyst" in Russian Journal of Electrochemistry, 57, no. 7 (2021):795-807,
https://doi.org/10.1134/S1023193520120253 . .

Aggregability and digestibility study of fruit juice fortified camel milk powder proteins

Khulal, Urmila; Ghnimi, Sami; Stevanović, Nikola; Rajković, Andreja; Ćirković-Veličković, Tanja

(Elsevier, 2021)

TY  - JOUR
AU  - Khulal, Urmila
AU  - Ghnimi, Sami
AU  - Stevanović, Nikola
AU  - Rajković, Andreja
AU  - Ćirković-Veličković, Tanja
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4746
AB  - In this work, we observed the effect of grape juice (% concentrated juice/% concentrated camel milk: GJ20/80, GJ50/50) and pomegranate juice (PJ20/80, PJ40/60) fortification on camel milk (CM) protein solubility and digestibility. Proteins were dissolved in sodium phosphate buffer to 50 mg/ml and defatted prior Bradford assay of protein concentration, then analyzed by Size Exclusion-Ultra High-Performance Liquid chromatography (SE-UHPLC). The CM protein aggregation and their stability were further monitored at different pH 2.0, 4.0, and 7.5 via sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE). Freeze dried CM (FDCM) was the reference sample and our results showed that GJ50/50 and PJ40/60 with the highest fruit juice ratio had the lowest protein content in the supernatant, hence the decreased solubility. SE-UHPLC of supernatants showed a slight decrease in retention times of 11 kDa and 62 kDa proteins for GJ50/50 and PJ40/60 suggesting a possibility of adduct formation due to fortification leading to higher molecular weight. The simulated static in vitro gastrointestinal digestion of samples revealed that most soluble proteins were readily digested by pepsin, trypsin and chymotrypsin enzymes leading to small peptides. However, the SDS PAGE of pellets showed the partial resistance of casein and α-lactalbumin against peptic digestion.
PB  - Elsevier
T2  - LWT
T1  - Aggregability and digestibility study of fruit juice fortified camel milk powder proteins
VL  - 152
SP  - 112250
DO  - 10.1016/j.lwt.2021.112250
ER  - 
@article{
author = "Khulal, Urmila and Ghnimi, Sami and Stevanović, Nikola and Rajković, Andreja and Ćirković-Veličković, Tanja",
year = "2021",
abstract = "In this work, we observed the effect of grape juice (% concentrated juice/% concentrated camel milk: GJ20/80, GJ50/50) and pomegranate juice (PJ20/80, PJ40/60) fortification on camel milk (CM) protein solubility and digestibility. Proteins were dissolved in sodium phosphate buffer to 50 mg/ml and defatted prior Bradford assay of protein concentration, then analyzed by Size Exclusion-Ultra High-Performance Liquid chromatography (SE-UHPLC). The CM protein aggregation and their stability were further monitored at different pH 2.0, 4.0, and 7.5 via sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE). Freeze dried CM (FDCM) was the reference sample and our results showed that GJ50/50 and PJ40/60 with the highest fruit juice ratio had the lowest protein content in the supernatant, hence the decreased solubility. SE-UHPLC of supernatants showed a slight decrease in retention times of 11 kDa and 62 kDa proteins for GJ50/50 and PJ40/60 suggesting a possibility of adduct formation due to fortification leading to higher molecular weight. The simulated static in vitro gastrointestinal digestion of samples revealed that most soluble proteins were readily digested by pepsin, trypsin and chymotrypsin enzymes leading to small peptides. However, the SDS PAGE of pellets showed the partial resistance of casein and α-lactalbumin against peptic digestion.",
publisher = "Elsevier",
journal = "LWT",
title = "Aggregability and digestibility study of fruit juice fortified camel milk powder proteins",
volume = "152",
pages = "112250",
doi = "10.1016/j.lwt.2021.112250"
}
Khulal, U., Ghnimi, S., Stevanović, N., Rajković, A.,& Ćirković-Veličković, T.. (2021). Aggregability and digestibility study of fruit juice fortified camel milk powder proteins. in LWT
Elsevier., 152, 112250.
https://doi.org/10.1016/j.lwt.2021.112250
Khulal U, Ghnimi S, Stevanović N, Rajković A, Ćirković-Veličković T. Aggregability and digestibility study of fruit juice fortified camel milk powder proteins. in LWT. 2021;152:112250.
doi:10.1016/j.lwt.2021.112250 .
Khulal, Urmila, Ghnimi, Sami, Stevanović, Nikola, Rajković, Andreja, Ćirković-Veličković, Tanja, "Aggregability and digestibility study of fruit juice fortified camel milk powder proteins" in LWT, 152 (2021):112250,
https://doi.org/10.1016/j.lwt.2021.112250 . .
6

Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle

Ivanovska, Aleksandra; Lađarević, Jelena; Pavun, Leposava; Dojčinović, Biljana; Cvijetić, Ilija; Mijin, Dušan; Kostić, Mirjana

(Elsevier, 2021)

TY  - JOUR
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4744
AB  - The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers’ crystallinity, both contributing to enhanced fibers’ sorption properties, i.e., water retention power and degree of fibers’ swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs’ (cellulose I and cellulose II) contents (determined by XRD), fibers’ surface morphology (verified by FESEM), fabrics’ crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers’ chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics’ water retention power and capillarity as well as fibers’ swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics’ maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.
PB  - Elsevier
T2  - Industrial Crops and Products
T1  - Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle
VL  - 171
SP  - 113913
DO  - 10.1016/j.indcrop.2021.113913
ER  - 
@article{
author = "Ivanovska, Aleksandra and Lađarević, Jelena and Pavun, Leposava and Dojčinović, Biljana and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana",
year = "2021",
abstract = "The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers’ crystallinity, both contributing to enhanced fibers’ sorption properties, i.e., water retention power and degree of fibers’ swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs’ (cellulose I and cellulose II) contents (determined by XRD), fibers’ surface morphology (verified by FESEM), fabrics’ crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers’ chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics’ water retention power and capillarity as well as fibers’ swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics’ maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.",
publisher = "Elsevier",
journal = "Industrial Crops and Products",
title = "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle",
volume = "171",
pages = "113913",
doi = "10.1016/j.indcrop.2021.113913"
}
Ivanovska, A., Lađarević, J., Pavun, L., Dojčinović, B., Cvijetić, I., Mijin, D.,& Kostić, M.. (2021). Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products
Elsevier., 171, 113913.
https://doi.org/10.1016/j.indcrop.2021.113913
Ivanovska A, Lađarević J, Pavun L, Dojčinović B, Cvijetić I, Mijin D, Kostić M. Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products. 2021;171:113913.
doi:10.1016/j.indcrop.2021.113913 .
Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana, Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana, "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle" in Industrial Crops and Products, 171 (2021):113913,
https://doi.org/10.1016/j.indcrop.2021.113913 . .

Covalent and non-covalent chemistry of 2D black phosphorus

Mitrović, Aleksandra; Abellán, Gonzalo; Hirsch, Andreas

(Royal Society of Chemistry, 2021)

TY  - JOUR
AU  - Mitrović, Aleksandra
AU  - Abellán, Gonzalo
AU  - Hirsch, Andreas
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4741
AB  - The post-graphene era is undoubtedly marked by two-dimensional (2D) sheet polymers, such as black phosphorus (BP). This emerging material has a fascinating structure and outstanding electronic properties and has been postulated for a plethora of applications. The need to circumvent the pronounced oxophilicity of P atoms has dominated the research on this material in recent years, with the objective of finding the most effective method to improve its environmental stability. When it comes to chemical functionalization, the few approaches reported so far involve some drawbacks such as low degree of addition and low production ability. This review presents the concepts and strategies of our studies on the chemical functionalization of BP, both non-covalent and covalent, emphazising the current synthetic challenges. Moreover, we also provide some effective pathways for the chemical activation of the unreactive basal plane, the identification of the effective binding strategies, and the concept to overcome hurdles associated with characterization tools. This work will provide fundamental insights into the controlled chemical functionalization and characterization of BP, fostering the research on this appealing 2D material.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T2  - RSC AdvancesRSC Adv.
T1  - Covalent and non-covalent chemistry of 2D black phosphorus
VL  - 11
IS  - 42
SP  - 26093
EP  - 26101
DO  - 10.1039/D1RA04416H
ER  - 
@article{
author = "Mitrović, Aleksandra and Abellán, Gonzalo and Hirsch, Andreas",
year = "2021",
abstract = "The post-graphene era is undoubtedly marked by two-dimensional (2D) sheet polymers, such as black phosphorus (BP). This emerging material has a fascinating structure and outstanding electronic properties and has been postulated for a plethora of applications. The need to circumvent the pronounced oxophilicity of P atoms has dominated the research on this material in recent years, with the objective of finding the most effective method to improve its environmental stability. When it comes to chemical functionalization, the few approaches reported so far involve some drawbacks such as low degree of addition and low production ability. This review presents the concepts and strategies of our studies on the chemical functionalization of BP, both non-covalent and covalent, emphazising the current synthetic challenges. Moreover, we also provide some effective pathways for the chemical activation of the unreactive basal plane, the identification of the effective binding strategies, and the concept to overcome hurdles associated with characterization tools. This work will provide fundamental insights into the controlled chemical functionalization and characterization of BP, fostering the research on this appealing 2D material.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances, RSC AdvancesRSC Adv.",
title = "Covalent and non-covalent chemistry of 2D black phosphorus",
volume = "11",
number = "42",
pages = "26093-26101",
doi = "10.1039/D1RA04416H"
}
Mitrović, A., Abellán, G.,& Hirsch, A.. (2021). Covalent and non-covalent chemistry of 2D black phosphorus. in RSC Advances
Royal Society of Chemistry., 11(42), 26093-26101.
https://doi.org/10.1039/D1RA04416H
Mitrović A, Abellán G, Hirsch A. Covalent and non-covalent chemistry of 2D black phosphorus. in RSC Advances. 2021;11(42):26093-26101.
doi:10.1039/D1RA04416H .
Mitrović, Aleksandra, Abellán, Gonzalo, Hirsch, Andreas, "Covalent and non-covalent chemistry of 2D black phosphorus" in RSC Advances, 11, no. 42 (2021):26093-26101,
https://doi.org/10.1039/D1RA04416H . .
9

Distribution of polyphenolic and sugar compounds in different buckwheat plant parts

Nešović, Milica; Gašić, Uroš; Tosti, Tomislav; Horvacki, Nikola; Nedić, Nebojša; Sredojević, Milica; Blagojević, Stevan; Ignjatović, Ljubiša; Tešić, Živoslav Lj.

(Royal Society of Chemistry, 2021)

TY  - JOUR
AU  - Nešović, Milica
AU  - Gašić, Uroš
AU  - Tosti, Tomislav
AU  - Horvacki, Nikola
AU  - Nedić, Nebojša
AU  - Sredojević, Milica
AU  - Blagojević, Stevan
AU  - Ignjatović, Ljubiša
AU  - Tešić, Živoslav Lj.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4739
AB  - The aim of this study was to provide information on the phenolic and sugar profiles of different parts of the buckwheat plant, which can define that buckwheat is a functional food, with a high nutritional value and very useful for human health. Therefore, the extracts of buckwheat leaf, stem, and flower, as well as buckwheat grain were analysed for the content of polyphenol and antioxidant tests. The identification of a notable number of phenolic compounds and quantification of sugars in different parts of buckwheat indicates that buckwheat is a highly valuable plant. A total of 60 phenolic compounds were identified (18 cinnamic acid derivatives, 14 flavonols, 13 flavan-3-ols (including proanthocyanidins), 10 hydroxybenzoic acid derivatives, and 5 flavones) using ultra-high-performance liquid chromatography (UHPLC), coupled with a hybrid mass spectrometer which combines the Linear Trap Quadrupole (LTQ) and OrbiTrap mass analyzer. The highest number of phenolic compounds was found in the analysed buckwheat flower sample, and then in the leaf, followed by the grain and the stem. In addition, the sugar profile of buckwheat leaf, stem, flower and grain, as well as the buckwheat pollen and the nectar was analysed. Hence, 16 sugars and 5 sugar alcohols were detected by the high-performance anion exchange chromatography (HPAEC) with a pulsed amperometric detector (PAD). Sucrose was found in a significant amount with the highest content in buckwheat leaf. Trisaccharides had similar accumulation in the sample extracts, while disaccharides dominated in buckwheat leaf, followed by nectar and pollen. The sugar alcohols showed the highest content in buckwheat grain, where erythritol was predominant. The obtained results show that buckwheat is very rich in phenolic compounds and sugars. In addition to grain, the other parts of the buckwheat plant can be used as a very good source of different classes of phenolic compounds. This study provides useful information on the distribution of phytochemicals in different parts of the buckwheat plant, which contribute to the maintaining of the status of buckwheat as a functional food.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Distribution of polyphenolic and sugar compounds in different buckwheat plant parts
VL  - 11
IS  - 42
SP  - 25816
EP  - 25829
DO  - 10.1039/D1RA04250E
ER  - 
@article{
author = "Nešović, Milica and Gašić, Uroš and Tosti, Tomislav and Horvacki, Nikola and Nedić, Nebojša and Sredojević, Milica and Blagojević, Stevan and Ignjatović, Ljubiša and Tešić, Živoslav Lj.",
year = "2021",
abstract = "The aim of this study was to provide information on the phenolic and sugar profiles of different parts of the buckwheat plant, which can define that buckwheat is a functional food, with a high nutritional value and very useful for human health. Therefore, the extracts of buckwheat leaf, stem, and flower, as well as buckwheat grain were analysed for the content of polyphenol and antioxidant tests. The identification of a notable number of phenolic compounds and quantification of sugars in different parts of buckwheat indicates that buckwheat is a highly valuable plant. A total of 60 phenolic compounds were identified (18 cinnamic acid derivatives, 14 flavonols, 13 flavan-3-ols (including proanthocyanidins), 10 hydroxybenzoic acid derivatives, and 5 flavones) using ultra-high-performance liquid chromatography (UHPLC), coupled with a hybrid mass spectrometer which combines the Linear Trap Quadrupole (LTQ) and OrbiTrap mass analyzer. The highest number of phenolic compounds was found in the analysed buckwheat flower sample, and then in the leaf, followed by the grain and the stem. In addition, the sugar profile of buckwheat leaf, stem, flower and grain, as well as the buckwheat pollen and the nectar was analysed. Hence, 16 sugars and 5 sugar alcohols were detected by the high-performance anion exchange chromatography (HPAEC) with a pulsed amperometric detector (PAD). Sucrose was found in a significant amount with the highest content in buckwheat leaf. Trisaccharides had similar accumulation in the sample extracts, while disaccharides dominated in buckwheat leaf, followed by nectar and pollen. The sugar alcohols showed the highest content in buckwheat grain, where erythritol was predominant. The obtained results show that buckwheat is very rich in phenolic compounds and sugars. In addition to grain, the other parts of the buckwheat plant can be used as a very good source of different classes of phenolic compounds. This study provides useful information on the distribution of phytochemicals in different parts of the buckwheat plant, which contribute to the maintaining of the status of buckwheat as a functional food.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Distribution of polyphenolic and sugar compounds in different buckwheat plant parts",
volume = "11",
number = "42",
pages = "25816-25829",
doi = "10.1039/D1RA04250E"
}
Nešović, M., Gašić, U., Tosti, T., Horvacki, N., Nedić, N., Sredojević, M., Blagojević, S., Ignjatović, L.,& Tešić, Ž. Lj.. (2021). Distribution of polyphenolic and sugar compounds in different buckwheat plant parts. in RSC Advances
Royal Society of Chemistry., 11(42), 25816-25829.
https://doi.org/10.1039/D1RA04250E
Nešović M, Gašić U, Tosti T, Horvacki N, Nedić N, Sredojević M, Blagojević S, Ignjatović L, Tešić ŽL. Distribution of polyphenolic and sugar compounds in different buckwheat plant parts. in RSC Advances. 2021;11(42):25816-25829.
doi:10.1039/D1RA04250E .
Nešović, Milica, Gašić, Uroš, Tosti, Tomislav, Horvacki, Nikola, Nedić, Nebojša, Sredojević, Milica, Blagojević, Stevan, Ignjatović, Ljubiša, Tešić, Živoslav Lj., "Distribution of polyphenolic and sugar compounds in different buckwheat plant parts" in RSC Advances, 11, no. 42 (2021):25816-25829,
https://doi.org/10.1039/D1RA04250E . .
1

Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60

Jakšić, Jovana; Mitrović, Aleksandra; Tokić Vujošević, Zorana; Milčić, Miloš K.; Maslak, Veselin

(Royal Society of Chemistry, 2021)

TY  - JOUR
AU  - Jakšić, Jovana
AU  - Mitrović, Aleksandra
AU  - Tokić Vujošević, Zorana
AU  - Milčić, Miloš K.
AU  - Maslak, Veselin
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4714
AB  - In this study, β-keto esters as readily available bio-based building blocks were used to decorate the C60 sphere. Generally, cyclopropanated fullerene derivatives are obtained by the standard Bingel–Hirsch procedure. Herein, omitting the iodine from the reaction mixture and adding TEMPO afforded dihydrofuran fused C60 fullerene derivatives. The mechanism of the reaction shifted from nucleophilic aliphatic substitution to oxidative [3 + 2] cycloaddition via fullerenyl cations as an intermediate. This mechanism is proposed based on a series of control experiments with radical scavengers. Therefore, dihydrofuran-fused C60 derivatives were selectively obtained in good yields and their structures were established based on UV-Vis, IR, NMR spectroscopy and mass spectrometry. The electrochemical properties of the synthesized compounds were investigated by cyclic voltammetry. DFT calculations were performed in order to investigate the difference in stability, electronic properties and π-electron delocalization between methano and furano fullerenes.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60
VL  - 11
IS  - 47
SP  - 29426
EP  - 29432
DO  - 10.1039/D1RA03944J
ER  - 
@article{
author = "Jakšić, Jovana and Mitrović, Aleksandra and Tokić Vujošević, Zorana and Milčić, Miloš K. and Maslak, Veselin",
year = "2021",
abstract = "In this study, β-keto esters as readily available bio-based building blocks were used to decorate the C60 sphere. Generally, cyclopropanated fullerene derivatives are obtained by the standard Bingel–Hirsch procedure. Herein, omitting the iodine from the reaction mixture and adding TEMPO afforded dihydrofuran fused C60 fullerene derivatives. The mechanism of the reaction shifted from nucleophilic aliphatic substitution to oxidative [3 + 2] cycloaddition via fullerenyl cations as an intermediate. This mechanism is proposed based on a series of control experiments with radical scavengers. Therefore, dihydrofuran-fused C60 derivatives were selectively obtained in good yields and their structures were established based on UV-Vis, IR, NMR spectroscopy and mass spectrometry. The electrochemical properties of the synthesized compounds were investigated by cyclic voltammetry. DFT calculations were performed in order to investigate the difference in stability, electronic properties and π-electron delocalization between methano and furano fullerenes.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60",
volume = "11",
number = "47",
pages = "29426-29432",
doi = "10.1039/D1RA03944J"
}
Jakšić, J., Mitrović, A., Tokić Vujošević, Z., Milčić, M. K.,& Maslak, V.. (2021). Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60. in RSC Advances
Royal Society of Chemistry., 11(47), 29426-29432.
https://doi.org/10.1039/D1RA03944J
Jakšić J, Mitrović A, Tokić Vujošević Z, Milčić MK, Maslak V. Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60. in RSC Advances. 2021;11(47):29426-29432.
doi:10.1039/D1RA03944J .
Jakšić, Jovana, Mitrović, Aleksandra, Tokić Vujošević, Zorana, Milčić, Miloš K., Maslak, Veselin, "Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60" in RSC Advances, 11, no. 47 (2021):29426-29432,
https://doi.org/10.1039/D1RA03944J . .

Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases

Stevanović, Nikola; Mijatović, Aleksandar; Lolić, Aleksandar; Zlatović, Mario; Baošić, Rada

(Springer, 2021)

TY  - JOUR
AU  - Stevanović, Nikola
AU  - Mijatović, Aleksandar
AU  - Lolić, Aleksandar
AU  - Zlatović, Mario
AU  - Baošić, Rada
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4707
AB  - The influences of the application of mono- and two-component organic modifiers on lipophilicity determination of 12 tetradentate Schiff bases by reversed-phase thin layer chromatography were investigated. The main goal is to estimate types of interaction between observed compounds and components of the applied chromatographic systems and establish some behaviour pattern in order to easier choose a combination of organic modifiers which will simulate interaction in biological systems based on the facts that the same basic intermolecular interactions are responsible for the behaviour of substances in both the biological and chromatographic system. The applied organic modifier shows the ability to modify the surface of the applied sorbent, which affects the manifestation of lipophilicity of the observed compounds. Mono-component organic modifiers from different groups of the Snyder triangle were used, as well as their two-component mixtures. In addition, we compared experimentally determined calculated parameters of lipophilicity.
PB  - Springer
T2  - Chemical Papers
T1  - Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases
DO  - 10.1007/s11696-021-01884-5
ER  - 
@article{
author = "Stevanović, Nikola and Mijatović, Aleksandar and Lolić, Aleksandar and Zlatović, Mario and Baošić, Rada",
year = "2021",
abstract = "The influences of the application of mono- and two-component organic modifiers on lipophilicity determination of 12 tetradentate Schiff bases by reversed-phase thin layer chromatography were investigated. The main goal is to estimate types of interaction between observed compounds and components of the applied chromatographic systems and establish some behaviour pattern in order to easier choose a combination of organic modifiers which will simulate interaction in biological systems based on the facts that the same basic intermolecular interactions are responsible for the behaviour of substances in both the biological and chromatographic system. The applied organic modifier shows the ability to modify the surface of the applied sorbent, which affects the manifestation of lipophilicity of the observed compounds. Mono-component organic modifiers from different groups of the Snyder triangle were used, as well as their two-component mixtures. In addition, we compared experimentally determined calculated parameters of lipophilicity.",
publisher = "Springer",
journal = "Chemical Papers",
title = "Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases",
doi = "10.1007/s11696-021-01884-5"
}
Stevanović, N., Mijatović, A., Lolić, A., Zlatović, M.,& Baošić, R.. (2021). Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases. in Chemical Papers
Springer..
https://doi.org/10.1007/s11696-021-01884-5
Stevanović N, Mijatović A, Lolić A, Zlatović M, Baošić R. Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases. in Chemical Papers. 2021;.
doi:10.1007/s11696-021-01884-5 .
Stevanović, Nikola, Mijatović, Aleksandar, Lolić, Aleksandar, Zlatović, Mario, Baošić, Rada, "Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases" in Chemical Papers (2021),
https://doi.org/10.1007/s11696-021-01884-5 . .

Reconstructing and counting genomic fragments through tagmentation-based haploid phasing

Leong, Patrick P. T.; Mihajlović, Aleksandar; Bogdanović, Nadežda; Breberina, Luka M.; Xi, Larry

(Nature Research, 2021)

TY  - JOUR
AU  - Leong, Patrick P. T.
AU  - Mihajlović, Aleksandar
AU  - Bogdanović, Nadežda
AU  - Breberina, Luka M.
AU  - Xi, Larry
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4685
AB  - Single-cell sequencing provides a new level of granularity in studying the heterogeneous nature of cancer cells. For some cancers, this heterogeneity is the result of copy number changes of genes within the cellular genomes. The ability to accurately determine such copy number changes is critical in tracing and understanding tumorigenesis. Current single-cell genome sequencing methodologies infer copy numbers based on statistical approaches followed by rounding decimal numbers to integer values. Such methodologies are sample dependent, have varying calling sensitivities which heavily depend on the sample’s ploidy and are sensitive to noise in sequencing data. In this paper we have demonstrated the concept of integer-counting by using a novel bioinformatic algorithm built on our library construction chemistry in order to detect the discrete nature of the genome.
PB  - Nature Research
T2  - Scientific Reports
T1  - Reconstructing and counting genomic fragments through tagmentation-based haploid phasing
VL  - 11
IS  - 1
SP  - 18907
DO  - 10.1038/s41598-021-97852-w
ER  - 
@article{
author = "Leong, Patrick P. T. and Mihajlović, Aleksandar and Bogdanović, Nadežda and Breberina, Luka M. and Xi, Larry",
year = "2021",
abstract = "Single-cell sequencing provides a new level of granularity in studying the heterogeneous nature of cancer cells. For some cancers, this heterogeneity is the result of copy number changes of genes within the cellular genomes. The ability to accurately determine such copy number changes is critical in tracing and understanding tumorigenesis. Current single-cell genome sequencing methodologies infer copy numbers based on statistical approaches followed by rounding decimal numbers to integer values. Such methodologies are sample dependent, have varying calling sensitivities which heavily depend on the sample’s ploidy and are sensitive to noise in sequencing data. In this paper we have demonstrated the concept of integer-counting by using a novel bioinformatic algorithm built on our library construction chemistry in order to detect the discrete nature of the genome.",
publisher = "Nature Research",
journal = "Scientific Reports",
title = "Reconstructing and counting genomic fragments through tagmentation-based haploid phasing",
volume = "11",
number = "1",
pages = "18907",
doi = "10.1038/s41598-021-97852-w"
}
Leong, P. P. T., Mihajlović, A., Bogdanović, N., Breberina, L. M.,& Xi, L.. (2021). Reconstructing and counting genomic fragments through tagmentation-based haploid phasing. in Scientific Reports
Nature Research., 11(1), 18907.
https://doi.org/10.1038/s41598-021-97852-w
Leong PPT, Mihajlović A, Bogdanović N, Breberina LM, Xi L. Reconstructing and counting genomic fragments through tagmentation-based haploid phasing. in Scientific Reports. 2021;11(1):18907.
doi:10.1038/s41598-021-97852-w .
Leong, Patrick P. T., Mihajlović, Aleksandar, Bogdanović, Nadežda, Breberina, Luka M., Xi, Larry, "Reconstructing and counting genomic fragments through tagmentation-based haploid phasing" in Scientific Reports, 11, no. 1 (2021):18907,
https://doi.org/10.1038/s41598-021-97852-w . .
1

Standard methods for pollen research

Campos, Maria G.; Anjos, Ofélia; Chica, Manuel; Campoy, Pascual; Nozkova, Janka; Almaraz-Abarca, Norma; Barreto, Lidia M. R. C.; Nordi, João Carlos; Estevinho, Leticia M.; Pascoal, Ananias; Paula, Vanessa Branco; Chopina, Altino; Dias, Luis G.; Tešić, Živoslav Lj.; Mosić, Mirjana; Kostić, Aleksandar Ž.; Pešić, Mirjana B.; Milojković-Opsenica, Dušanka; Sickel, Wiebke; Ankenbrand, Markus J.; Grimmer, Gudrun; Steffan-Dewenter, Ingolf; Keller, Alexander; Förster, Frank; Tananaki, Chrysoula H.; Liolios, Vasilios; Kanelis, Dimitrios; Rodopoulou, Maria-Anna; Thrasyvoulou, Andreas; Paulo, Luísa; Kast, Christina; Lucchetti, Matteo A.; Glauser, Gaëtan; Lokutova, Olena; de Almeida-Muradian, Ligia Bicudo; Szczęsna, Teresa; Carreck, Norman L.

(Taylor & Francis, 2021)

TY  - JOUR
AU  - Campos, Maria G.
AU  - Anjos, Ofélia
AU  - Chica, Manuel
AU  - Campoy, Pascual
AU  - Nozkova, Janka
AU  - Almaraz-Abarca, Norma
AU  - Barreto, Lidia M. R. C.
AU  - Nordi, João Carlos
AU  - Estevinho, Leticia M.
AU  - Pascoal, Ananias
AU  - Paula, Vanessa Branco
AU  - Chopina, Altino
AU  - Dias, Luis G.
AU  - Tešić, Živoslav Lj.
AU  - Mosić, Mirjana
AU  - Kostić, Aleksandar Ž.
AU  - Pešić, Mirjana B.
AU  - Milojković-Opsenica, Dušanka
AU  - Sickel, Wiebke
AU  - Ankenbrand, Markus J.
AU  - Grimmer, Gudrun
AU  - Steffan-Dewenter, Ingolf
AU  - Keller, Alexander
AU  - Förster, Frank
AU  - Tananaki, Chrysoula H.
AU  - Liolios, Vasilios
AU  - Kanelis, Dimitrios
AU  - Rodopoulou, Maria-Anna
AU  - Thrasyvoulou, Andreas
AU  - Paulo, Luísa
AU  - Kast, Christina
AU  - Lucchetti, Matteo A.
AU  - Glauser, Gaëtan
AU  - Lokutova, Olena
AU  - de Almeida-Muradian, Ligia Bicudo
AU  - Szczęsna, Teresa
AU  - Carreck, Norman L.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4683
AB  - “Bee pollen” is pollen collected from flowers by honey bees. It is used by the bees to nourish themselves, mainly by providing royal jelly and brood food, but it is also used for human nutrition. For the latter purpose, it is collected at the hive entrance as pellets that the bees bring to the hive. Bee pollen has diverse bioactivities, and thus has been used as a health food, and even as medication in some countries. In this paper, we provide standard methods for carrying out research on bee pollen. First, we introduce a method for the production and storage of bee pollen which assures quality of the product. Routine methods are then provided for the identification of the pollen’s floral sources, and determination of the more important quality criteria such as water content and content of proteins, carbohydrates, fatty acids, vitamins, alkaloids, phenolic and polyphenolic compounds. Finally, methods are described for the determination of some important bioactivities of bee pollen such as its antioxidant, anti-inflammatory, antimicrobial and antimutagenic properties. Métodos estándar Para la investigación del polenEl "polen de abeja" es el polen recogido de las flores por las abejas melíferas. El polen de abeja es utilizado para nutrir a las propias abejas, principalmente para proporcionar jalea real y alimento para las crías, pero también se utiliza para la nutrición humana. Para este último fin, se recoge en la entrada de la colmena en forma de gránulos que las abejas llevan a la colmena. El polen de abeja tiene diversas bioactividades, por lo que se hautilizado como alimento para la salud, e incluso como medicamento en algunos países. En este artículo, proporcionamos métodos estándar para llevar a cabo investigaciones sobre el polen de abeja. En primer lugar, presentamos un método de producción y almacenamiento de polen de abeja que garantiza la calidad del producto. A continuación, se ofrecen métodos de rutina para la identificación de las fuentes florales del polen y la determinación de los criterios de calidad más importantes, como el contenido de agua y de proteínas, carbohidratos, ácidos grasos, vitaminas, alcaloides y compuestos fenólicos y polifenólicos. Por último, se describen métodos para la determinación de algunas bioactividades importantes del polen de abeja, como sus propiedades antioxidantes, antiinflamatorias, antimicrobianas y antimutagénicas.
PB  - Taylor & Francis
T2  - Journal of Apicultural Research
T1  - Standard methods for pollen research
VL  - 60
IS  - 4
SP  - 1
EP  - 109
DO  - 10.1080/00218839.2021.1948240
ER  - 
@article{
author = "Campos, Maria G. and Anjos, Ofélia and Chica, Manuel and Campoy, Pascual and Nozkova, Janka and Almaraz-Abarca, Norma and Barreto, Lidia M. R. C. and Nordi, João Carlos and Estevinho, Leticia M. and Pascoal, Ananias and Paula, Vanessa Branco and Chopina, Altino and Dias, Luis G. and Tešić, Živoslav Lj. and Mosić, Mirjana and Kostić, Aleksandar Ž. and Pešić, Mirjana B. and Milojković-Opsenica, Dušanka and Sickel, Wiebke and Ankenbrand, Markus J. and Grimmer, Gudrun and Steffan-Dewenter, Ingolf and Keller, Alexander and Förster, Frank and Tananaki, Chrysoula H. and Liolios, Vasilios and Kanelis, Dimitrios and Rodopoulou, Maria-Anna and Thrasyvoulou, Andreas and Paulo, Luísa and Kast, Christina and Lucchetti, Matteo A. and Glauser, Gaëtan and Lokutova, Olena and de Almeida-Muradian, Ligia Bicudo and Szczęsna, Teresa and Carreck, Norman L.",
year = "2021",
abstract = "“Bee pollen” is pollen collected from flowers by honey bees. It is used by the bees to nourish themselves, mainly by providing royal jelly and brood food, but it is also used for human nutrition. For the latter purpose, it is collected at the hive entrance as pellets that the bees bring to the hive. Bee pollen has diverse bioactivities, and thus has been used as a health food, and even as medication in some countries. In this paper, we provide standard methods for carrying out research on bee pollen. First, we introduce a method for the production and storage of bee pollen which assures quality of the product. Routine methods are then provided for the identification of the pollen’s floral sources, and determination of the more important quality criteria such as water content and content of proteins, carbohydrates, fatty acids, vitamins, alkaloids, phenolic and polyphenolic compounds. Finally, methods are described for the determination of some important bioactivities of bee pollen such as its antioxidant, anti-inflammatory, antimicrobial and antimutagenic properties. Métodos estándar Para la investigación del polenEl "polen de abeja" es el polen recogido de las flores por las abejas melíferas. El polen de abeja es utilizado para nutrir a las propias abejas, principalmente para proporcionar jalea real y alimento para las crías, pero también se utiliza para la nutrición humana. Para este último fin, se recoge en la entrada de la colmena en forma de gránulos que las abejas llevan a la colmena. El polen de abeja tiene diversas bioactividades, por lo que se hautilizado como alimento para la salud, e incluso como medicamento en algunos países. En este artículo, proporcionamos métodos estándar para llevar a cabo investigaciones sobre el polen de abeja. En primer lugar, presentamos un método de producción y almacenamiento de polen de abeja que garantiza la calidad del producto. A continuación, se ofrecen métodos de rutina para la identificación de las fuentes florales del polen y la determinación de los criterios de calidad más importantes, como el contenido de agua y de proteínas, carbohidratos, ácidos grasos, vitaminas, alcaloides y compuestos fenólicos y polifenólicos. Por último, se describen métodos para la determinación de algunas bioactividades importantes del polen de abeja, como sus propiedades antioxidantes, antiinflamatorias, antimicrobianas y antimutagénicas.",
publisher = "Taylor & Francis",
journal = "Journal of Apicultural Research",
title = "Standard methods for pollen research",
volume = "60",
number = "4",
pages = "1-109",
doi = "10.1080/00218839.2021.1948240"
}
Campos, M. G., Anjos, O., Chica, M., Campoy, P., Nozkova, J., Almaraz-Abarca, N., Barreto, L. M. R. C., Nordi, J. C., Estevinho, L. M., Pascoal, A., Paula, V. B., Chopina, A., Dias, L. G., Tešić, Ž. Lj., Mosić, M., Kostić, A. Ž., Pešić, M. B., Milojković-Opsenica, D., Sickel, W., Ankenbrand, M. J., Grimmer, G., Steffan-Dewenter, I., Keller, A., Förster, F., Tananaki, C. H., Liolios, V., Kanelis, D., Rodopoulou, M., Thrasyvoulou, A., Paulo, L., Kast, C., Lucchetti, M. A., Glauser, G., Lokutova, O., de Almeida-Muradian, L. B., Szczęsna, T.,& Carreck, N. L.. (2021). Standard methods for pollen research. in Journal of Apicultural Research
Taylor & Francis., 60(4), 1-109.
https://doi.org/10.1080/00218839.2021.1948240
Campos MG, Anjos O, Chica M, Campoy P, Nozkova J, Almaraz-Abarca N, Barreto LMRC, Nordi JC, Estevinho LM, Pascoal A, Paula VB, Chopina A, Dias LG, Tešić ŽL, Mosić M, Kostić AŽ, Pešić MB, Milojković-Opsenica D, Sickel W, Ankenbrand MJ, Grimmer G, Steffan-Dewenter I, Keller A, Förster F, Tananaki CH, Liolios V, Kanelis D, Rodopoulou M, Thrasyvoulou A, Paulo L, Kast C, Lucchetti MA, Glauser G, Lokutova O, de Almeida-Muradian LB, Szczęsna T, Carreck NL. Standard methods for pollen research. in Journal of Apicultural Research. 2021;60(4):1-109.
doi:10.1080/00218839.2021.1948240 .
Campos, Maria G., Anjos, Ofélia, Chica, Manuel, Campoy, Pascual, Nozkova, Janka, Almaraz-Abarca, Norma, Barreto, Lidia M. R. C., Nordi, João Carlos, Estevinho, Leticia M., Pascoal, Ananias, Paula, Vanessa Branco, Chopina, Altino, Dias, Luis G., Tešić, Živoslav Lj., Mosić, Mirjana, Kostić, Aleksandar Ž., Pešić, Mirjana B., Milojković-Opsenica, Dušanka, Sickel, Wiebke, Ankenbrand, Markus J., Grimmer, Gudrun, Steffan-Dewenter, Ingolf, Keller, Alexander, Förster, Frank, Tananaki, Chrysoula H., Liolios, Vasilios, Kanelis, Dimitrios, Rodopoulou, Maria-Anna, Thrasyvoulou, Andreas, Paulo, Luísa, Kast, Christina, Lucchetti, Matteo A., Glauser, Gaëtan, Lokutova, Olena, de Almeida-Muradian, Ligia Bicudo, Szczęsna, Teresa, Carreck, Norman L., "Standard methods for pollen research" in Journal of Apicultural Research, 60, no. 4 (2021):1-109,
https://doi.org/10.1080/00218839.2021.1948240 . .
2
1

The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats

Đurašević, Siniša; Ružičić, Aleksandra; Lakić, Iva; Tosti, Tomislav; Đurović, Saša; Glumac, Sofija; Pavlović, Slađan; Borković-Mitić, Slavica; Grigorov, Ilijana; Stanković, Sanja; Jasnić, Nebojša; Đorđević, Jelena; Todorović, Zoran

(MDPI, 2021)

TY  - JOUR
AU  - Đurašević, Siniša
AU  - Ružičić, Aleksandra
AU  - Lakić, Iva
AU  - Tosti, Tomislav
AU  - Đurović, Saša
AU  - Glumac, Sofija
AU  - Pavlović, Slađan
AU  - Borković-Mitić, Slavica
AU  - Grigorov, Ilijana
AU  - Stanković, Sanja
AU  - Jasnić, Nebojša
AU  - Đorđević, Jelena
AU  - Todorović, Zoran
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4671
AB  - Sepsis is a life-threatening condition caused by the dysregulated and overwhelming response to infection, accompanied by an exaggerated pro-inflammatory state and lipid metabolism disturbance leading to sequential organ failure. Meldonium is an anti-ischemic and anti-inflammatory agent which negatively interferes with lipid metabolism by shifting energy production from fatty acid oxidation to glycolysis, as a less oxygen-demanding pathway. Thus, we investigated the effects of a four-week meldonium pre-treatment on faecal-induced sepsis in Sprague-Dawley male rats. Surprisingly, under septic conditions, meldonium increased animal mortality rate compared with the meldonium non-treated group. However, analysis of the tissue oxidative status did not provide support for the detrimental effects of meldonium, nor did the analysis of the tissue inflammatory status showing anti-inflammatory, anti-apoptotic, and anti-necrotic effects of meldonium. After performing tissue lipidomic analysis, we concluded that the potential cause of the meldonium harmful effect is to be found in the overall decreased lipid metabolism. The present study underlines the importance of uninterrupted energy production in sepsis, closely drawing attention to the possible harmful effects of lipid-mobilization impairment caused by certain therapeutics. This could lead to the much-needed revision of the existing guidelines in the clinical treatment of sepsis while paving the way for discovering new therapeutic approaches.
PB  - MDPI
T2  - International Journal of Molecular Sciences
T1  - The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats
VL  - 22
IS  - 18
SP  - 9698
DO  - 10.3390/ijms22189698
ER  - 
@article{
author = "Đurašević, Siniša and Ružičić, Aleksandra and Lakić, Iva and Tosti, Tomislav and Đurović, Saša and Glumac, Sofija and Pavlović, Slađan and Borković-Mitić, Slavica and Grigorov, Ilijana and Stanković, Sanja and Jasnić, Nebojša and Đorđević, Jelena and Todorović, Zoran",
year = "2021",
abstract = "Sepsis is a life-threatening condition caused by the dysregulated and overwhelming response to infection, accompanied by an exaggerated pro-inflammatory state and lipid metabolism disturbance leading to sequential organ failure. Meldonium is an anti-ischemic and anti-inflammatory agent which negatively interferes with lipid metabolism by shifting energy production from fatty acid oxidation to glycolysis, as a less oxygen-demanding pathway. Thus, we investigated the effects of a four-week meldonium pre-treatment on faecal-induced sepsis in Sprague-Dawley male rats. Surprisingly, under septic conditions, meldonium increased animal mortality rate compared with the meldonium non-treated group. However, analysis of the tissue oxidative status did not provide support for the detrimental effects of meldonium, nor did the analysis of the tissue inflammatory status showing anti-inflammatory, anti-apoptotic, and anti-necrotic effects of meldonium. After performing tissue lipidomic analysis, we concluded that the potential cause of the meldonium harmful effect is to be found in the overall decreased lipid metabolism. The present study underlines the importance of uninterrupted energy production in sepsis, closely drawing attention to the possible harmful effects of lipid-mobilization impairment caused by certain therapeutics. This could lead to the much-needed revision of the existing guidelines in the clinical treatment of sepsis while paving the way for discovering new therapeutic approaches.",
publisher = "MDPI",
journal = "International Journal of Molecular Sciences",
title = "The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats",
volume = "22",
number = "18",
pages = "9698",
doi = "10.3390/ijms22189698"
}
Đurašević, S., Ružičić, A., Lakić, I., Tosti, T., Đurović, S., Glumac, S., Pavlović, S., Borković-Mitić, S., Grigorov, I., Stanković, S., Jasnić, N., Đorđević, J.,& Todorović, Z.. (2021). The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats. in International Journal of Molecular Sciences
MDPI., 22(18), 9698.
https://doi.org/10.3390/ijms22189698
Đurašević S, Ružičić A, Lakić I, Tosti T, Đurović S, Glumac S, Pavlović S, Borković-Mitić S, Grigorov I, Stanković S, Jasnić N, Đorđević J, Todorović Z. The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats. in International Journal of Molecular Sciences. 2021;22(18):9698.
doi:10.3390/ijms22189698 .
Đurašević, Siniša, Ružičić, Aleksandra, Lakić, Iva, Tosti, Tomislav, Đurović, Saša, Glumac, Sofija, Pavlović, Slađan, Borković-Mitić, Slavica, Grigorov, Ilijana, Stanković, Sanja, Jasnić, Nebojša, Đorđević, Jelena, Todorović, Zoran, "The Effects of a Meldonium Pre-Treatment on the Course of the Faecal-Induced Sepsis in Rats" in International Journal of Molecular Sciences, 22, no. 18 (2021):9698,
https://doi.org/10.3390/ijms22189698 . .
1

Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches

Gligorijević, Nikola; Šukalović, Vladimir; Minić, Simeon; Miljuš, Goran; Nedić, Olgica; Penezić, Ana

(Belgrade : Serbian Chemical Society, 2021)

TY  - JOUR
AU  - Gligorijević, Nikola
AU  - Šukalović, Vladimir
AU  - Minić, Simeon
AU  - Miljuš, Goran
AU  - Nedić, Olgica
AU  - Penezić, Ana
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4667
AB  - The binding of a popular food supplement and well-known antioxidant, dihydro-alpha-lipoic acid (DHLA) to human serum albumin (HSA) was characterised. The binding was monitored by several spectroscopic methods together with the molecular docking approach. HSA was able to bind DHLA with moderate affinity, 1.00±0.05×104 M-1. Spectroscopic data demonstrated that the preferential binding site for DHLA on HSA is IIA (Sudlow I). Both experimental and molecular docking analysis identified electrostatic (salt bridges) and hydrogen bonds as the key interactions involved in DHLA binding to HSA. Molecular docking confirmed that the Sudlow I site could accommodate DHLA and that the ligand is bound to the protein in a specific conformation. The molecular dynamic simulation showed that the formed complex is stable. Binding of DHLA does not affect the structure of the protein, but it thermally stabilises HSA. Bound DHLA had no effect on the susceptibility of HSA to trypsin digestion. Since DHLA is a commonly used food supplement, knowledge of its pharmacokinetics and pharmacodynamic properties in an organism is very important. This study further expands it by providing a detailed analysis of its interaction with HSA, the primary drug transporter in the circulation.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches
VL  - 86
IS  - 9
SP  - 795
EP  - 807
DO  - 10.2298/JSC210420041G
ER  - 
@article{
author = "Gligorijević, Nikola and Šukalović, Vladimir and Minić, Simeon and Miljuš, Goran and Nedić, Olgica and Penezić, Ana",
year = "2021",
abstract = "The binding of a popular food supplement and well-known antioxidant, dihydro-alpha-lipoic acid (DHLA) to human serum albumin (HSA) was characterised. The binding was monitored by several spectroscopic methods together with the molecular docking approach. HSA was able to bind DHLA with moderate affinity, 1.00±0.05×104 M-1. Spectroscopic data demonstrated that the preferential binding site for DHLA on HSA is IIA (Sudlow I). Both experimental and molecular docking analysis identified electrostatic (salt bridges) and hydrogen bonds as the key interactions involved in DHLA binding to HSA. Molecular docking confirmed that the Sudlow I site could accommodate DHLA and that the ligand is bound to the protein in a specific conformation. The molecular dynamic simulation showed that the formed complex is stable. Binding of DHLA does not affect the structure of the protein, but it thermally stabilises HSA. Bound DHLA had no effect on the susceptibility of HSA to trypsin digestion. Since DHLA is a commonly used food supplement, knowledge of its pharmacokinetics and pharmacodynamic properties in an organism is very important. This study further expands it by providing a detailed analysis of its interaction with HSA, the primary drug transporter in the circulation.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches",
volume = "86",
number = "9",
pages = "795-807",
doi = "10.2298/JSC210420041G"
}
Gligorijević, N., Šukalović, V., Minić, S., Miljuš, G., Nedić, O.,& Penezić, A.. (2021). Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 86(9), 795-807.
https://doi.org/10.2298/JSC210420041G
Gligorijević N, Šukalović V, Minić S, Miljuš G, Nedić O, Penezić A. Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches. in Journal of the Serbian Chemical Society. 2021;86(9):795-807.
doi:10.2298/JSC210420041G .
Gligorijević, Nikola, Šukalović, Vladimir, Minić, Simeon, Miljuš, Goran, Nedić, Olgica, Penezić, Ana, "Physicochemical characterisation of dihydro-alpha-lipoic acid interaction with human serum albumin by multi-spectroscopic and molecular modelling approaches" in Journal of the Serbian Chemical Society, 86, no. 9 (2021):795-807,
https://doi.org/10.2298/JSC210420041G . .