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  • Proximitní efekt v kooperativních vodíkových vazbách byl prokázán v modelové studii přechodné vazby kyseliny glutarové a adipové na poly(4-vinylpyridin). Důkaz byl jak experimentální, používající PFG NMR a NMR relaxace, tak teoretický, užívající kvantové DFT B3LYP/6-31G(d) výpočty. Bylo ukázáno, že pro každou přechodně vázanou COOH skupinu podmíněná pravděpodobnost, že druhá COOH skupina bude vázána též, je 0.7 pro kyselinu glutarovou a 0.63 pro kyselinu adipovou. Výpočty ukázaly, že efekt je entropický. (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.
  • 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)
Title
  • Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect
  • Kooperativní vodíkové vazby makromolekul. 3. Modelová studie proximitního efektu (cs)
  • Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect (en)
skos:prefLabel
  • Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect
  • Kooperativní vodíkové vazby makromolekul. 3. Modelová studie proximitního efektu (cs)
  • Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect (en)
skos:notation
  • RIV/61389013:_____/07:00082963!RIV07-AV0-61389013
http://linked.open.../vavai/riv/strany
  • 6118;6126
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(1ET400500402), P(IAA400500604), Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika
  • 22
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 415081
http://linked.open...ai/riv/idVysledku
  • RIV/61389013:_____/07:00082963
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • cooperativity; cooperative hydrogen bonds; NMR; DFT (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [463C5FB3C41B]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 111
http://linked.open...iv/tvurceVysledku
  • Dybal, Jiří
  • Kříž, Jaroslav
http://linked.open...n/vavai/riv/zamer
issn
  • 1520-6106
number of pages
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