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@article{1548760, author = {Avram, Liat and Havel, Václav and ShustermanandKrush, Ronit and Iron, Mark A. and Zaiss, Moritz and Šindelář, Vladimír and BarandShir, Amnon}, article_location = {WEINHEIM}, article_number = {7}, doi = {http://dx.doi.org/10.1002/chem.201805973}, keywords = {binding dynamic; GEST; host-guest; NMR spectroscopy; supramolecular chemistry}, language = {eng}, issn = {0947-6539}, journal = {Chemistry - A European Journal}, title = {Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study}, url = {https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805973}, volume = {25}, year = {2019} }
TY - JOUR ID - 1548760 AU - Avram, Liat - Havel, Václav - Shusterman-Krush, Ronit - Iron, Mark A. - Zaiss, Moritz - Šindelář, Vladimír - Bar-Shir, Amnon PY - 2019 TI - Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study JF - Chemistry - A European Journal VL - 25 IS - 7 SP - 1687-1690 EP - 1687-1690 PB - Wiley SN - 09476539 KW - binding dynamic KW - GEST KW - host-guest KW - NMR spectroscopy KW - supramolecular chemistry UR - https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805973 L2 - https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805973 N2 - The accumulated knowledge regarding molecular architectures is based on established, reliable, and accessible analytical tools that provide robust structural and functional information on assemblies. However, both the dynamicity and low population of noncovalently interacting moieties within studied molecular systems limit the efficiency and accuracy of traditional methods. Herein, the use of a saturation transfer-based NMR approach to study the dynamic binding characteristics of an anion to a series of synthetic receptors derived from bambusuril macrocycles is demonstrated. The exchange rates of BF4- are mediated by the side chains on the receptor (100 s(-1) < k(ex) < 5000 s(-1)), which play a critical role in receptor-anion binding dynamics. The signal amplification obtained with this approach allows for the identification of different types of intermolecular interactions between the receptor and the anion, something that could not have been detected by techniques hitherto used to study molecular assemblies. These findings, which are supported by a computational molecular dynamic study, demonstrate the uniqueness and added value of this NMR method. ER -
AVRAM, Liat, Václav HAVEL, Ronit SHUSTERMAN-KRUSH, Mark A. IRON, Moritz ZAISS, Vladimír ŠINDELÁŘ a Amnon BAR-SHIR. Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study. \textit{Chemistry - A European Journal}. WEINHEIM: Wiley, 2019, roč.~25, č.~7, s.~1687-1690. ISSN~0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201805973.
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