Programming and controlling molecular recognition in aqueous solutions is increasingly common, but creating supramolecular sensors that detect analytes in biologically relevant solutions remains a nontrivial task. We report here a parallel synthesis-driven approach to create a family of selfassembling dimeric sensors that we call DimerDyes and its use for the rapid identification of salt-tolerant sensors for illicit drugs. We developed an efficient method that involves parallel synthesis and screening in crude form without the need to purify each potential sensor. Structurally diverse "hit" DimerDyes were resynthesized and purified and were each shown to assemble into homodimers in water in the programmed way. DimerDyes provided a "turn-on" fluorescence detection of multiple illicit drugs at low micromolar concentrations in water and in saliva. The combination of multiple agents into a sensor array was successfully able to detect and discriminate between closely related drugs and metabolites in multiple important drug families.

We report on the synthesis of bivalent water‐soluble calix[4]arene and calix[5]arene hosts, Super‐sCx4 and Super‐sCx5 as new broad‐spectrum supramolecular binders of neuromuscular blocking agents (NMBAs). Synthesis was achieved using the target bisquaternary amine NMBAs as a template to link two highly anionic p‐sulfonatocalixarene building blocks in aqueous solution. Bivalent anionic hosts Super‐sCx4 and Super‐sCx5 bind by engaging both quaternary amines present on a variety of NMBAs. We report low μM binding to structurally diverse alkyl, steroidal, curarine and benzylisoquinoline NMBAs with high selectivity over the neurotransmitter acetylcholine and a variety of other hydrophobic amines.

Molecules that assemble through reversible covalent and noncovalent interactions achieve self-assembly at extreme levels of urea and NaCl.

<div><div><div><p>We report here a parallel synthesis-driven approach to create a family of self-assembling dimeric sensors that we call DimerDyes, and its use for the rapid identification of salt-tolerant sensors for illicit drugs. We developed an efficient method that involves parallel synthesis and screening in crude form without the need to purify each potential sensor. Structurally diverse “hit” DimerDyes were re-synthesized, purified and were each shown to assemble into homodimers in water in the programmed way. DimerDyes provided a “turn-on” fluorescence detection of multiple illicit drugs at low micromolar concentrations in water and in saliva. The combination of multiple agents into a sensor array was successfully able to detect and discriminate between closely related drugs and metabolites in multiple important drug families. This report includes extensive NMR data on synthetic characterization, and on binding and assembly processes. It also includes UV-Vis and fluorescence spectroscopy data, and their use for quantitation and identification of drug-related analytes using multivariate statistical analysis. </p></div></div></div>

Cucurbit[7]uril forms host–guest complexes with “Good's” and related biological pH buffers of varying stability in aqueous solution.