Dynamic Interactions in Synthetic Receptors: A Guest Exchange
Saturation Transfer Study

J 2019

Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

AVRAM, Liat; Václav HAVEL; Ronit SHUSTERMAN-KRUSH; Mark A. IRON; Moritz ZAISS et al.

Základní údaje

Originální název

Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

Autoři

AVRAM, Liat; Václav HAVEL; Ronit SHUSTERMAN-KRUSH; Mark A. IRON; Moritz ZAISS; Vladimír ŠINDELÁŘ a Amnon BAR-SHIR

Vydání

Chemistry - A European Journal, WEINHEIM, Wiley, 2019, 0947-6539

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Německo

Utajení

není předmětem státního či obchodního tajemství

Odkazy

Full Text

Impakt faktor

Impact factor: 4.857

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/19:00107548

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

binding dynamic; GEST; host-guest; NMR spectroscopy; supramolecular chemistry

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 17. 2. 2023 21:32, Mgr. Michaela Hylsová, Ph.D.

Anotace

V originále

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.

Návaznosti

EF16_013/0001761, projekt VaV

Název: RECETOX RI

GA18-21801S, projekt VaV

Název: Chirální bambusurily

Investor: Grantová agentura ČR, Chirální bambusurily

LM2015051, projekt VaV

Název: Centrum pro výzkum toxických látek v prostředí (Akronym: RECETOX RI)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Výzkumná infrastruktura RECETOX

Citovat

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. Chemistry - A European Journal. WEINHEIM: Wiley, 2019, roč. 25, č. 7, s. 1687-1690. ISSN 0947-6539. Dostupné z: https://doi.org/10.1002/chem.201805973.

@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 = {https://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://doi.org/10.1002/chem.201805973.

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