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Pregled bibliografske jedinice broj: 897644

The Metal Effect on Self-Assembling of Oxalamide Gelators Explored by Mass Spectrometry and DFT Calculations


Dabić, Dario; Brkljačić, Lidija, Tandarić, Tana; Žinić, Mladen; Vianello, Robert; Frkanec, Leo; Kobetić, Renata
The Metal Effect on Self-Assembling of Oxalamide Gelators Explored by Mass Spectrometry and DFT Calculations // Journal of the American Society for Mass Spectrometry, 28 (2018), 1; 103-113 doi:10.1007/s13361-017-1834-5 (međunarodna recenzija, članak, znanstveni)


Naslov
The Metal Effect on Self-Assembling of Oxalamide Gelators Explored by Mass Spectrometry and DFT Calculations

Autori
Dabić, Dario ; Brkljačić, Lidija, Tandarić, Tana ; Žinić, Mladen ; Vianello, Robert ; Frkanec, Leo ; Kobetić, Renata

Izvornik
Journal of the American Society for Mass Spectrometry (1044-0305) 28 (2018), 1; 103-113

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

Ključne riječi
Oxalamide gelators, Self-assembly, ESI–MS, DFT.

Sažetak
Gels formed by self-assembly of small organic molecules are of wide interest as dynamic soft materials with numerous possible applications, especially in terms of nanotechnology for functional responsive biomaterials, biosensors, and nanowires. Four bis-oxalamides were chosen to show if electrospray ionization mass spectrometry (ESI-MS) could be used as a prediction of a good gelator and also to shed light on the gelation processes. By inspecting the gelation of several solvent, we showed that bis(amino acid)oxalamide 1 proved to be the most efficient, also being able of forming the largest observable assemblies in the gas phase. The formation of single charged assemblies holding from one up to six monomer units is the outcome of the strong intermolecular H-bonds, particularly among terminal carboxyl groups. The variation of solvents from polar aprotic towards polar protic did not have any significant effects on the size of the assemblies. The addition of a salt such as NaOAc or Mg(OAc)2, depending on the concentration, altered the assembling. Computational analysis at the DFT level aided in the interpretation of the observed trends and revealed that individual gelator molecules spontaneously assemble to higher aggregates, but the presence of the Na+ cation disrupts any gelator organization since it becomes significantly more favorable for gelator molecules to bind Na+ cations up to the 3:1 ratio than to self-assemble, being fully in line with experimental observations reported here.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982914-2935 - Sinteza novih biološki aktivnih derivata nukleobaza i nukleotida (Biserka Žinić, )
HRZZ-IP-2013-11-7387 - Supramolekulska sinteza samo-organizirajućih funkcionalnih nanomaterijala i kompleksnih kemijskih sustava (Leo Frkanec, )
HRZZ-IP-2014-09-3386 - Dizajn i sinteza novih dušikovih heterocikličkih fluorofora i fluorescentnih nanomaterijala kao kemijskih senzora za pH i metalne ione (Robert Vianello, )

Ustanove
Institut "Ruđer Bošković", Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb

Časopis indeksira:


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


Uključenost u ostale bibliografske baze podataka:


  • ABI/INFORM


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