"Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect"@en . "K\u0159\u00ED\u017E, Jaroslav" . "111" . "Kooperativn\u00ED vod\u00EDkov\u00E9 vazby makromolekul. 3. Modelov\u00E1 studie proximitn\u00EDho efektu"@cs . "P(1ET400500402), P(IAA400500604), Z(AV0Z40500505)" . "2"^^ . "Dybal, Ji\u0159\u00ED" . "22" . . . . . "Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect" . . "cooperativity; cooperative hydrogen bonds; NMR; DFT"@en . . "Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect"@en . "The proximity effect in cooperative hydrogen bonds was proved in a model study of transient binding glutaric and adipic acids to poly(4-vinylpyridine). The proof was both experimental, using PFG NMR and NMR relaxation, and theoretical, using quantum DFT B3LYP/6-31G(d) calculations. It was shown that for every transiently bound COOH group the conditional probability of the second COOH group being also bound is 0.7 and 0.63 for glutaric acid and adipic acid, respectively. The calculations show that the effect is entropic."@en . "9"^^ . . . "Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect" . "RIV/61389013:_____/07:00082963!RIV07-AV0-61389013" . . "Kooperativn\u00ED vod\u00EDkov\u00E9 vazby makromolekul. 3. Modelov\u00E1 studie proximitn\u00EDho efektu"@cs . . "The proximity effect in cooperative hydrogen bonds was proved in a model study of transient binding glutaric and adipic acids to poly(4-vinylpyridine). The proof was both experimental, using PFG NMR and NMR relaxation, and theoretical, using quantum DFT B3LYP/6-31G(d) calculations. It was shown that for every transiently bound COOH group the conditional probability of the second COOH group being also bound is 0.7 and 0.63 for glutaric acid and adipic acid, respectively. The calculations show that the effect is entropic." . "415081" . . . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . . "Journal of Physical Chemistry B" . . . . "2"^^ . "[463C5FB3C41B]" . . "Proximitn\u00ED efekt v kooperativn\u00EDch vod\u00EDkov\u00FDch vazb\u00E1ch byl prok\u00E1z\u00E1n v modelov\u00E9 studii p\u0159echodn\u00E9 vazby kyseliny glutarov\u00E9 a adipov\u00E9 na poly(4-vinylpyridin). D\u016Fkaz byl jak experiment\u00E1ln\u00ED, pou\u017E\u00EDvaj\u00EDc\u00ED PFG NMR a NMR relaxace, tak teoretick\u00FD, u\u017E\u00EDvaj\u00EDc\u00ED kvantov\u00E9 DFT B3LYP/6-31G(d) v\u00FDpo\u010Dty. Bylo uk\u00E1z\u00E1no, \u017Ee pro ka\u017Edou p\u0159echodn\u011B v\u00E1zanou COOH skupinu podm\u00EDn\u011Bn\u00E1 pravd\u011Bpodobnost, \u017Ee druh\u00E1 COOH skupina bude v\u00E1z\u00E1na t\u00E9\u017E, je 0.7 pro kyselinu glutarovou a 0.63 pro kyselinu adipovou. V\u00FDpo\u010Dty uk\u00E1zaly, \u017Ee efekt je entropick\u00FD."@cs . "1520-6106" . "RIV/61389013:_____/07:00082963" . "6118;6126" .