000032192 001__ 32192
000032192 005__ 20210121082859.0
000032192 0247_ $$2doi$$a10.1039/c5sc02108a
000032192 0248_ $$2sideral$$a92290
000032192 037__ $$aART-2015-92290
000032192 041__ $$aeng
000032192 100__ $$aJiménez-Moreno, E.
000032192 245__ $$aA thorough experimental study of CH/p interactions in water: quantitative structure-stability relationships for carbohydrate/aromatic complexes
000032192 260__ $$c2015
000032192 5060_ $$aAccess copy available to the general public$$fUnrestricted
000032192 5203_ $$aCH/p interactions play a key role in a large variety of molecular recognition processes of biological relevance. However, their origins and structural determinants in water remain poorly understood. In order to improve our comprehension of these important interaction modes, we have performed a quantitative experimental analysis of a large data set comprising 117 chemically diverse carbohydrate/aromatic stacking complexes, prepared through a dynamic combinatorial approach recently developed by our group. The obtained free energies provide a detailed picture of the structure–stability relationships that govern the association process, opening the door to the rational design of improved carbohydrate-based ligands or carbohydrate receptors. Moreover, this experimental data set, supported by quantum mechanical calculations, has contributed to the understanding of the main driving forces that promote complex formation, underlining the key role played by coulombic and solvophobic forces on the stabilization of these complexes. This represents the most quantitative and extensive experimental study reported so far for CH/p complexes in water.
000032192 536__ $$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-32025$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-32114$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2013-45538-P
000032192 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000032192 590__ $$a9.144$$b2015
000032192 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b14 / 163 = 0.086$$c2015$$dQ1$$eT1
000032192 592__ $$a4.647$$b2015
000032192 593__ $$aChemistry (miscellaneous)$$c2015$$dQ1
000032192 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000032192 700__ $$0(orcid)0000-0003-0105-4337$$aJiménez-Osés, G.
000032192 700__ $$aGómez, A.M.
000032192 700__ $$aSantana, A.G.
000032192 700__ $$aCorzana, F.
000032192 700__ $$aBastida, A.
000032192 700__ $$aJiménez-Barbero, J.
000032192 700__ $$aAsensio, J.L.
000032192 773__ $$g6, 11 (2015), 6076-6085$$pChem. sci.$$tChemical Science$$x2041-6520
000032192 8564_ $$s4163553$$uhttps://zaguan.unizar.es/record/32192/files/texto_completo.pdf$$yVersión publicada
000032192 8564_ $$s84804$$uhttps://zaguan.unizar.es/record/32192/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000032192 909CO $$ooai:zaguan.unizar.es:32192$$particulos$$pdriver
000032192 951__ $$a2021-01-21-08:15:07
000032192 980__ $$aARTICLE