crta
Hrvatska znanstvena Sekcija img
bibliografija
3 gif
 Naslovna
 O projektu
 FAQ
 Kontakt
4 gif
Pregledavanje radova
Jednostavno pretraživanje
Napredno pretraživanje
Skupni podaci
Upis novih radova
Upute
Ispravci prijavljenih radova
Ostale bibliografije
Slični projekti
 Bibliografske baze podataka

Pregled bibliografske jedinice broj: 612366

Časopis

Autori: Požar, Josip; Horvat, Gordan; Čalogović, Marina; Galić, Nives,; Frkanec, Leo; Tomišić, Vladislav
Naslov: Complexation of Oxonium and Ammonium Ions by Lower-rim Calix[4]arene Amino Acid Derivatives
( Complexation of Oxonium and Ammonium Ions by Lower-rim Calix[4]arene Amino Acid Derivatives )
Izvornik: Croatica chemica acta (0011-1643) 85 (2012), 4; 541-552
Vrsta rada: članak
Ključne riječi: calixarenes ; oxonium cation ; ammonium cation ; complexation ; solvation ; microcalorimetry ; UV spectrometry ; molecular dynamics
( calixarenes ; oxonium cation ; ammonium cation ; complexation ; solvation ; microcalorimetry ; UV spectrometry ; molecular dynamics )
Sažetak:
Complexation of oxonium and ammonium cations with two calix4arene amino acid derivatives, namely 5, 11, 17, 23-tetra-tert-butyl-26, 28, 25, 27-tetrakis-(O-methyl-D-α-phenylglycylcarbonylmethoxy)-calix[4]arene (1) and 5, 11, 17, 23-tetra-tert-butyl-26, 28, 25, 27-(O-methyl-L-leucylcarbonylmethoxy)calix[4]¬arene (2), in acetonitrile and methanol was studied by means of spectrophotometric and calorimetric titrations at 25 °C. The classical molecular dynamics simulations of the macrocycles and the corresponding complexes with NH4+ and H3O+ were carried out in order to investigate their possible structures in solution. The examined calix[4]arene derivatives were shown to be rather efficient binders for H3O+ cation and moderately efficient for NH4+ in acetonitrile, whereas the complexation of these cations in methanol could not be observed. The structures of the complexes obtained by means of molecular dynamics simulations suggested the involvement of ether and carbonyl oxygen atoms in the complexation of both NH4+ and H3O+. An inclusion of an acetonitrile molecule into the hydrophobic cavity of the free and complexed ligands was observed as well. The difference in binding affinities of 1 and 2 towards NH4+ and H3O+ ions could be explained by taking into account cation solvation, difference in their size and in the strength of hydrogen bonding between cations and the ligand binding sites.
Projekt / tema: 098-0982904-2912, 119-1191342-2960
Izvorni jezik: eng
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Kemija
URL Internet adrese: http://hrcak.srce.hr/index.php?show=clanak&id_clanak_jezik=139008
Broj citata:
Altmetric:
DOI: 10.5562/cca2172
URL cjelovitog teksta:
Google Scholar: Complexation of Oxonium and Ammonium Ions by Lower-rim Calix[4]arene Amino Acid Derivatives
Upisao u CROSBI: pozar.chem@pmf.hr (pozar.chem@pmf.hr), 16. Sij. 2013. u 13:49 sati



  Verzija za printanje   za tiskati


upomoc
foot_4