TY  - JOUR
AU  - Jelić, Dijana
AU  - Đermanović, Mirjana
AU  - Marković, Anđela
AU  - Manić, Nebojša
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Janković, Bojan Ž.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10738
AB  - This work provides detailed mechanistic analysis of thermo-oxidative degradation behavior of vitamin D3—Ca (CaCO3 form) solid state supplement formulation. Analytical techniques such Attenuated Total Reflection Fourier-transform Infrared (ATR-FTIR) spectroscopy and Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS) were used for analysis of homogeneity of active pharmaceutical ingredients (APIs) throughout excipients contained within solid dosage forms. Information gained from MALDI-MS experiments was used to improve and better understand interactions present, later clearly disclosed through kinetic modeling. It was found that process mechanism proceeds via two single-step unbranched reactions and two steps of consecutive reactions. Key features include vitamin D3 meltings and degradation via hydrogen abstraction followed by addition of oxygen forming 1-hydroxy-vitamin D3 and further through its dehydration to 1-keto-vitamin D3. Identified product 1-hydroxy-vitamin D3 is substantial for enhancing the immune response of human body in fight against respiratory viruses. Another two degradation products, namely pyrocalciferol and isopyrocalciferol, produced by thermal isomerization at higher temperatures, were also identified. These vitamin epimers have crucial role in functioning of immune cells. Degradation process of mineral structure occurs through water molecules removal, forming anhydrous polymorph of CaCO3, where formation of solid (CaO) and gaseous (CO2) products participates in kinetically stabilized additive-functionalized amorphous CaCO3 crystallization. Confirmation of correctness of proposed degradation mechanism was verified by modulated dynamic (MD) predictions. Information obtained is valuable and suitable for safety evaluations of given supplement, but also could be applied for solid state forms, which are generally sensitive to oxidative conditions. © 2023, Akadémiai Kiadó, Budapest, Hungary.
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Novel insight in thermo-oxidative kinetics of vitamin D-based supplement formulation using TG–DTG–DTA, ATR-FTIR and MALDI-MS techniques
VL  - 148
SP  - 4281
EP  - 4305
DO  - 10.1007/s10973-023-12017-3
ER  - 

@article{
author = "Jelić, Dijana and Đermanović, Mirjana and Marković, Anđela and Manić, Nebojša and Veličković, Suzana and Veljković, Filip M. and Janković, Bojan Ž.",
year = "2023",
abstract = "This work provides detailed mechanistic analysis of thermo-oxidative degradation behavior of vitamin D3—Ca (CaCO3 form) solid state supplement formulation. Analytical techniques such Attenuated Total Reflection Fourier-transform Infrared (ATR-FTIR) spectroscopy and Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS) were used for analysis of homogeneity of active pharmaceutical ingredients (APIs) throughout excipients contained within solid dosage forms. Information gained from MALDI-MS experiments was used to improve and better understand interactions present, later clearly disclosed through kinetic modeling. It was found that process mechanism proceeds via two single-step unbranched reactions and two steps of consecutive reactions. Key features include vitamin D3 meltings and degradation via hydrogen abstraction followed by addition of oxygen forming 1-hydroxy-vitamin D3 and further through its dehydration to 1-keto-vitamin D3. Identified product 1-hydroxy-vitamin D3 is substantial for enhancing the immune response of human body in fight against respiratory viruses. Another two degradation products, namely pyrocalciferol and isopyrocalciferol, produced by thermal isomerization at higher temperatures, were also identified. These vitamin epimers have crucial role in functioning of immune cells. Degradation process of mineral structure occurs through water molecules removal, forming anhydrous polymorph of CaCO3, where formation of solid (CaO) and gaseous (CO2) products participates in kinetically stabilized additive-functionalized amorphous CaCO3 crystallization. Confirmation of correctness of proposed degradation mechanism was verified by modulated dynamic (MD) predictions. Information obtained is valuable and suitable for safety evaluations of given supplement, but also could be applied for solid state forms, which are generally sensitive to oxidative conditions. © 2023, Akadémiai Kiadó, Budapest, Hungary.",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Novel insight in thermo-oxidative kinetics of vitamin D-based supplement formulation using TG–DTG–DTA, ATR-FTIR and MALDI-MS techniques",
volume = "148",
pages = "4281-4305",
doi = "10.1007/s10973-023-12017-3"
}

Jelić, D., Đermanović, M., Marković, A., Manić, N., Veličković, S., Veljković, F. M.,& Janković, B. Ž.. (2023). Novel insight in thermo-oxidative kinetics of vitamin D-based supplement formulation using TG–DTG–DTA, ATR-FTIR and MALDI-MS techniques. in Journal of Thermal Analysis and Calorimetry, 148, 4281-4305.
https://doi.org/10.1007/s10973-023-12017-3

Jelić D, Đermanović M, Marković A, Manić N, Veličković S, Veljković FM, Janković BŽ. Novel insight in thermo-oxidative kinetics of vitamin D-based supplement formulation using TG–DTG–DTA, ATR-FTIR and MALDI-MS techniques. in Journal of Thermal Analysis and Calorimetry. 2023;148:4281-4305.
doi:10.1007/s10973-023-12017-3 .

Jelić, Dijana, Đermanović, Mirjana, Marković, Anđela, Manić, Nebojša, Veličković, Suzana, Veljković, Filip M., Janković, Bojan Ž., "Novel insight in thermo-oxidative kinetics of vitamin D-based supplement formulation using TG–DTG–DTA, ATR-FTIR and MALDI-MS techniques" in Journal of Thermal Analysis and Calorimetry, 148 (2023):4281-4305,
https://doi.org/10.1007/s10973-023-12017-3 . .

TY  - JOUR
AU  - Janković, Bojan
AU  - Papović, Snežana
AU  - Vraneš, Milan
AU  - Knežević, Teodora
AU  - Pržulj, Sanja
AU  - Zeljković, Saša
AU  - Veličković, Suzana
AU  - Veljković, Filip
AU  - Jelić, Dijana
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10850
AB  - A powdered PVA/CaCO3 nanocomposite carrier was successfully fabricated for effective loading of small bioactive molecules, such as vitamin D3 (VD3). Generation of, namely, VD3/PVA/CaCO3 nanocomposite scaffold was carried out through an adsorption mechanism as a loading route of an active compound onto a powder carrier. Developed composites were characterized by structural, morphological and thermal analyses techniques, such as X-ray powder diffraction (XRPD), Fourier-transform infrared (FTIR) spectroscopy, MALDI (matrix-assisted laser desorption/ionization) – mass spectrometry (MS), Brunauer–Emmett–Teller (BET) – NLDFT (Non-local Density Functional Theory) method, scanning electron microscopy (SEM), simultaneous TG-DTG and coupled TG-MS. XRD results showed that the average crystallite size of synthesized VD3/PVA/CaCO3 amounts 32.93 nm exhibiting microstrain presence, where PVA incorporation causes non-uniform calcite lattice distortion. SEM analysis showed that VD3/PVA/CaCO3 nanocomposite scaffold contains agglomerated rhomboidal calcite particles with VD3 particles of irregular shapes attached. Fabricated VD3/PVA/CaCO3 clearly showed the existence of calcite “staircase” dendrites as the aftermath of inhibiting the effect of impurities on the growth of crystals in normal directions. It was determined that the decomposition of PVA additionally enhances the thermal stability of VD3, through the stabilization effect by acting on van der Waal’s forces during polyene formation, confirmed by MALDI-TOF MS results.
T2  - Journal of Materials Science
T1  - Biomineral nanocomposite scaffold (CaCO3/PVA based) carrier for improved stability of vitamin D3: characterization analysis and material properties
VL  - 58
IS  - 15
SP  - 6580
EP  - 6601
DO  - 10.1007/s10853-023-08453-z
ER  - 

@article{
author = "Janković, Bojan and Papović, Snežana and Vraneš, Milan and Knežević, Teodora and Pržulj, Sanja and Zeljković, Saša and Veličković, Suzana and Veljković, Filip and Jelić, Dijana",
year = "2023",
abstract = "A powdered PVA/CaCO3 nanocomposite carrier was successfully fabricated for effective loading of small bioactive molecules, such as vitamin D3 (VD3). Generation of, namely, VD3/PVA/CaCO3 nanocomposite scaffold was carried out through an adsorption mechanism as a loading route of an active compound onto a powder carrier. Developed composites were characterized by structural, morphological and thermal analyses techniques, such as X-ray powder diffraction (XRPD), Fourier-transform infrared (FTIR) spectroscopy, MALDI (matrix-assisted laser desorption/ionization) – mass spectrometry (MS), Brunauer–Emmett–Teller (BET) – NLDFT (Non-local Density Functional Theory) method, scanning electron microscopy (SEM), simultaneous TG-DTG and coupled TG-MS. XRD results showed that the average crystallite size of synthesized VD3/PVA/CaCO3 amounts 32.93 nm exhibiting microstrain presence, where PVA incorporation causes non-uniform calcite lattice distortion. SEM analysis showed that VD3/PVA/CaCO3 nanocomposite scaffold contains agglomerated rhomboidal calcite particles with VD3 particles of irregular shapes attached. Fabricated VD3/PVA/CaCO3 clearly showed the existence of calcite “staircase” dendrites as the aftermath of inhibiting the effect of impurities on the growth of crystals in normal directions. It was determined that the decomposition of PVA additionally enhances the thermal stability of VD3, through the stabilization effect by acting on van der Waal’s forces during polyene formation, confirmed by MALDI-TOF MS results.",
journal = "Journal of Materials Science",
title = "Biomineral nanocomposite scaffold (CaCO3/PVA based) carrier for improved stability of vitamin D3: characterization analysis and material properties",
volume = "58",
number = "15",
pages = "6580-6601",
doi = "10.1007/s10853-023-08453-z"
}

Janković, B., Papović, S., Vraneš, M., Knežević, T., Pržulj, S., Zeljković, S., Veličković, S., Veljković, F.,& Jelić, D.. (2023). Biomineral nanocomposite scaffold (CaCO3/PVA based) carrier for improved stability of vitamin D3: characterization analysis and material properties. in Journal of Materials Science, 58(15), 6580-6601.
https://doi.org/10.1007/s10853-023-08453-z

Janković B, Papović S, Vraneš M, Knežević T, Pržulj S, Zeljković S, Veličković S, Veljković F, Jelić D. Biomineral nanocomposite scaffold (CaCO3/PVA based) carrier for improved stability of vitamin D3: characterization analysis and material properties. in Journal of Materials Science. 2023;58(15):6580-6601.
doi:10.1007/s10853-023-08453-z .

Janković, Bojan, Papović, Snežana, Vraneš, Milan, Knežević, Teodora, Pržulj, Sanja, Zeljković, Saša, Veličković, Suzana, Veljković, Filip, Jelić, Dijana, "Biomineral nanocomposite scaffold (CaCO3/PVA based) carrier for improved stability of vitamin D3: characterization analysis and material properties" in Journal of Materials Science, 58, no. 15 (2023):6580-6601,
https://doi.org/10.1007/s10853-023-08453-z . .

TY  - JOUR
AU  - Jelić, Dijana
AU  - Papović, Snežana
AU  - Vraneš, Milan
AU  - Gadžurić, Slobodan
AU  - Berto, Silvia
AU  - Alladio, Eugenio
AU  - Gajić, Dragana
AU  - Janković, Bojan Ž.
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10048
AB  - Ambroxol hydrochloride (AMB), used as a broncho secretolytic and an expectorant drug, is a semi-synthetic derivative of vasicine obtained from the Indian shrub Adhatoda vasica. It is a metabolic product of bromhexine. The paper provides comprehensive and detailed research on ambroxol hydrochloride, gives information on thermal stability, the mechanism of AMB degradation, and data of practical interest for optimization of formulation that contains AMB as an active compound. Investigation on pure AMB and in commercial formulation Flavamed® tablet (FT), which contains AMB as an active compound, was performed systematically using thermal and spectroscopic methods, along with a sophisticated and practical statistical approach. AMB proved to be a heat-stable and humidity-sensitive drug. For its successful formulation, special attention should be addressed to excipients since it was found that polyvinyl pyrrolidone and Mg stearate affect the thermal stability of AMB. At the same time, lactose monohydrate contributes to faster degradation of AMB and change in decomposition mechanism. It was found that the n-th order kinetic model mechanistically best describes the decomposition process of pure AMB and in Flavamed® tablets.
T2  - Pharmaceutics
T1  - Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions
VL  - 13
IS  - 11
SP  - 1910
DO  - 10.3390/pharmaceutics13111910
ER  - 

@article{
author = "Jelić, Dijana and Papović, Snežana and Vraneš, Milan and Gadžurić, Slobodan and Berto, Silvia and Alladio, Eugenio and Gajić, Dragana and Janković, Bojan Ž.",
year = "2021",
abstract = "Ambroxol hydrochloride (AMB), used as a broncho secretolytic and an expectorant drug, is a semi-synthetic derivative of vasicine obtained from the Indian shrub Adhatoda vasica. It is a metabolic product of bromhexine. The paper provides comprehensive and detailed research on ambroxol hydrochloride, gives information on thermal stability, the mechanism of AMB degradation, and data of practical interest for optimization of formulation that contains AMB as an active compound. Investigation on pure AMB and in commercial formulation Flavamed® tablet (FT), which contains AMB as an active compound, was performed systematically using thermal and spectroscopic methods, along with a sophisticated and practical statistical approach. AMB proved to be a heat-stable and humidity-sensitive drug. For its successful formulation, special attention should be addressed to excipients since it was found that polyvinyl pyrrolidone and Mg stearate affect the thermal stability of AMB. At the same time, lactose monohydrate contributes to faster degradation of AMB and change in decomposition mechanism. It was found that the n-th order kinetic model mechanistically best describes the decomposition process of pure AMB and in Flavamed® tablets.",
journal = "Pharmaceutics",
title = "Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions",
volume = "13",
number = "11",
pages = "1910",
doi = "10.3390/pharmaceutics13111910"
}

Jelić, D., Papović, S., Vraneš, M., Gadžurić, S., Berto, S., Alladio, E., Gajić, D.,& Janković, B. Ž.. (2021). Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions. in Pharmaceutics, 13(11), 1910.
https://doi.org/10.3390/pharmaceutics13111910

Jelić D, Papović S, Vraneš M, Gadžurić S, Berto S, Alladio E, Gajić D, Janković BŽ. Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions. in Pharmaceutics. 2021;13(11):1910.
doi:10.3390/pharmaceutics13111910 .

Jelić, Dijana, Papović, Snežana, Vraneš, Milan, Gadžurić, Slobodan, Berto, Silvia, Alladio, Eugenio, Gajić, Dragana, Janković, Bojan Ž., "Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions" in Pharmaceutics, 13, no. 11 (2021):1910,
https://doi.org/10.3390/pharmaceutics13111910 . .