A general picture of cucurbit [8] uril host–guest binding
Describing, understanding, and designing complex interaction networks within
macromolecular systems remain challenging in modern chemical research. Host–guest …
macromolecular systems remain challenging in modern chemical research. Host–guest …
The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests
LM Grimm, S Spicher, B Tkachenko… - … A European Journal, 2022 - Wiley Online Library
The rationalization of non‐covalent binding trends is both of fundamental interest and
provides new design concepts for biomimetic molecular systems. Cucurbit [n] urils (CBn) are …
provides new design concepts for biomimetic molecular systems. Cucurbit [n] urils (CBn) are …
New ultrahigh affinity host− guest complexes of cucurbit [7] uril with bicyclo [2.2. 2] octane and adamantane guests: Thermodynamic analysis and evaluation of m2 …
S Moghaddam, C Yang, M Rekharsky… - Journal of the …, 2011 - ACS Publications
A dicationic ferrocene derivative has previously been shown to bind cucurbit [7] uril (CB [7])
in water with ultrahigh affinity (Δ G o=− 21 kcal/mol). Here, we describe new compounds that …
in water with ultrahigh affinity (Δ G o=− 21 kcal/mol). Here, we describe new compounds that …
A Nexus between Theory and Experiment: Non‐Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest Binding Interactions
A training set of eleven X‐ray structures determined for biomimetic complexes between
cucurbit [n] uril (CB [7 or 8]) hosts and adamantane‐/diamantane ammonium/aminium …
cucurbit [n] uril (CB [7 or 8]) hosts and adamantane‐/diamantane ammonium/aminium …
Can we beat the biotin–avidin pair?: cucurbit [7] uril-based ultrahigh affinity host–guest complexes and their applications
The design of synthetic, monovalent host–guest molecular recognition pairs is still
challenging and of particular interest to inquire into the limits of the affinity that can be …
challenging and of particular interest to inquire into the limits of the affinity that can be …
From Packed “Sandwich” to “Russian Doll”: Assembly by Charge‐Transfer Interactions in Cucurbit [10] uril
As the host possessing the largest cavity in the cucurbit [n] uril (CB [n]) family, CB [10] has
previously displayed unusual recognition and assembly properties with guests but much …
previously displayed unusual recognition and assembly properties with guests but much …
A reference scale of cucurbit [7] uril binding affinities
MA Alnajjar, WM Nau, A Hennig - Organic & Biomolecular Chemistry, 2021 - pubs.rsc.org
The accurate determination of ultra-high binding affinities in supramolecular host–guest
chemistry is a challenging endeavour because direct binding titrations are generally limited …
chemistry is a challenging endeavour because direct binding titrations are generally limited …
Converging free energies of binding in cucurbit [7] uril and octa-acid host–guest systems from SAMPL4 using expanded ensemble simulations
Molecular containers such as cucurbit [7] uril (CB7) and the octa-acid (OA) host are ideal
simplified model test systems for optimizing and analyzing methods for computing free …
simplified model test systems for optimizing and analyzing methods for computing free …
Cucurbiturils: from synthesis to high-affinity binding and catalysis
In the wide area of supramolecular chemistry, cucurbit [n] urils (CBn) present themselves as
a young family of molecular containers, able to form stable complexes with various guests …
a young family of molecular containers, able to form stable complexes with various guests …
U‐Shaped Conformation of Alkyl Chains Bound to a Synthetic Receptor Cucurbit [8] uril
The behavior of a series of alkanes bound to the molecular host cucurbit [8] uril (CB [8]) has
been systematically studied by 2D 1H NMR spectroscopy and isothermal titration calorimetry …
been systematically studied by 2D 1H NMR spectroscopy and isothermal titration calorimetry …