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Pregled bibliografske jedinice broj: 884106

Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases


Lukin, Stipe; Stolar, Tomislav; Tireli, Martina; Blanco, Maria; Babić, Darko; Friščić, Tomislav; Užarević, Krunoslav; Halasz, Ivan
Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases // Chemistry : a European journal, 23 (2017), 13941-13949 doi:10.1002/chem.201702489 (međunarodna recenzija, članak, znanstveni)


Naslov
Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases

Autori
Lukin, Stipe ; Stolar, Tomislav ; Tireli, Martina ; Blanco, Maria ; Babić, Darko ; Friščić, Tomislav ; Užarević, Krunoslav ; Halasz, Ivan

Izvornik
Chemistry : a European journal (0947-6539) 23 (2017); 13941-13949

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Quantitative in situ monitoring, monitoring, mechanochemistry, Raman spectroscopy, synchrotron XRD, pharmaceutical cocrystals

Sažetak
Despite recent advances in real-time and in situ monitoring techniques, a thorough mechanistic understanding of mechanochemical milling reactions is often hindered by the inability of their quantitative evaluation. Here, a tandem approach combining in situ powder X-ray diffraction and Raman spectroscopy enabled quantitative assessment and kinetic analysis of mechanochemical reaction, even when involving new phases of unknown crystal structures, and short-lived intermediates. We also introduce in situ Raman monitoring as a standalone laboratory technique for quantitative assessment of mechanochemical reactions. Our approach is demonstrated on a complex and multi-step mechanochemical cocrystallization of benzoic acid and the model active pharmaceutical ingredient nicotinamide under neat and liquid-assisted grinding, which resulted in complex transformations between four polymorphs. Reaction pathways and polymorph selectivity can be tuned by both the choice of a liquid additive and its amount. Our results provide an important step toward a complete and high-throughput quantitative approach to mechanochemical reaction kinetics and mechanisms, necessary for the development of the mechanistic framework of milling reactions.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Farmacija



POVEZANOST RADA


Projekt / tema
HRZZ-UIP-2014-09-4744 - Mehaniokemijska reaktivnost pod kontroliranim uvjetima temperature i atmosfere za čišću sintezu funkcionalnih materijala (Krunoslav Užarević, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Citiraj ovu publikaciju

Lukin, Stipe; Stolar, Tomislav; Tireli, Martina; Blanco, Maria; Babić, Darko; Friščić, Tomislav; Užarević, Krunoslav; Halasz, Ivan
Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases // Chemistry : a European journal, 23 (2017), 13941-13949 doi:10.1002/chem.201702489 (međunarodna recenzija, članak, znanstveni)
Lukin, S., Stolar, T., Tireli, M., Blanco, M., Babić, D., Friščić, T., Užarević, K. & Halasz, I. (2017) Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases. Chemistry : a European journal, 23, 13941-13949 doi:10.1002/chem.201702489.
@article{article, year = {2017}, pages = {13941-13949}, DOI = {10.1002/chem.201702489}, keywords = {quantitative in situ monitoring, monitoring, mechanochemistry, Raman spectroscopy, synchrotron XRD, pharmaceutical cocrystals}, journal = {Chemistry : a European journal}, doi = {10.1002/chem.201702489}, volume = {23}, issn = {0947-6539}, title = {Tandem in situ monitoring for quantitative assessment of mechanochemical reactions involving structurally unknown phases}, keyword = {quantitative in situ monitoring, monitoring, mechanochemistry, Raman spectroscopy, synchrotron XRD, pharmaceutical cocrystals} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • Arts & Humanities Citation Index (A&HCI)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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