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"Mobilitas Pluss Postdoctoral Researcher Grant / Mobilitas Pluss järeldoktoritoetus" project MOBJD490
MOBJD490 "Design and synthesis of macrocyclic molecular receptors for carboxylate anion binding (1.01.2020−31.12.2021)", Somayyeh Kheir Jou, University of Tartu, Faculty of Science and Technology, Institute of Chemistry.
MOBJD490
Makrotsüklilised retseptorid karboksülaat-anioonide sünteesiks: disain ja süntees
Design and synthesis of macrocyclic molecular receptors for carboxylate anion binding
1.01.2020
31.12.2021
R&D project
Mobilitas Pluss Postdoctoral Researcher Grant / Mobilitas Pluss järeldoktoritoetus
ETIS classificationSubfieldCERCS classificationFrascati Manual classificationPercent
4. Natural Sciences and Engineering4.11. Chemistry and Chemical TechnologyP390 Organic chemistry 1.4 Chemical sciences50,0
4. Natural Sciences and Engineering4.11. Chemistry and Chemical TechnologyP300 Analytical chemistry 1.4 Chemical sciences40,0
4. Natural Sciences and Engineering4.11. Chemistry and Chemical TechnologyP410 Theoretical chemistry, quantum chemistry 1.4 Chemical sciences10,0
PeriodSum
01.01.2020−31.12.202186 117,20 EUR
86 117,20 EUR

Luuakse makrotsüklilised retseptorid karboksülaat-anioonide sidumiseks, vesiniksideme ja hüdrofoobse vastasmõju koostoimel. Töö kandvaks hüpoteesiks on, et kui paigutada vesiniksidet andvad rühmad ja hüdrofoobsed fragmendid retseptormolekulis sobivalt, siis on võimalik saavutada kõrget selektiivsust. Kaasatakse rida karboksülaatioone, nii alifaatsete kui ka aromaatsete kõrvalahelatega, samuti heteroaatomeid sisaldavaid (atsetaat, bensoaat, laktaat, jt). Aniooni geomeetria ja aluselisuse mõju seondumisele uuritakse põhjalikult. Seondumiskonstandid retseptorite ja anioonide vahel määratakse 1H NMR ja/või UV-Vis tiitrimise meetodil. Retseptoreid, millel leitakse kõrgeim afiinsus ja selektiivsus kasutatakse potentsiomeetriliste sensorite prototüüpide valmistamiseks.
Macrocyclic synthetic receptor molecules for carboxylate anions will be developed that will use dual binding mode – multi-site hydrogen bonding with a high degree of complementarity and hydrophobic interaction with the hydrocarbon moiety of the anion. It is hypothesized that this design of receptors will enable enhancing the selectivity of carboxylate binding. A number of carboxylate anions with different aliphatic and aromatic moieties of different geometries will be involved (acetate, benzoate, lactate, etc). The effect of anion geometry and basicity will be studied thoroughly. 1H NMR or photometric titration experiments will be used to determine the binding constants between anions and receptors. The receptors that display the highest affinity and selectivity for specific anions will be used for making potentiometric sensor prototypes.