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Supramolecular Chemistry

Designing functional assemblies via non-covalent interactions.

mysimulator teamUpdated June 2026≈ 3 min read▶ Open the simulation

Principles

Hydrogen bonding, π–π, metal coordination

Host–guest complexes and selectivity

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Applications

Sensing, drug delivery, responsive materials, and catalysis.

Examples

Example: Cyclodextrin Host–Guest Sensor

Design guest dye with affinity.

Measure binding constants.

Build responsive sensing system.

Frequently asked questions

How to measure binding?

ITC, NMR, UV–Vis titrations, and models.

Solvent effects?

Dielectric and competition influence.

Designing selectivity?

Complementarity and preorganization.

Stimuli-responsiveness?

pH, light, and redox controls.

Self-assembly?

Thermodynamics and kinetics.

Characterization?

Microscopy, scattering, and spectroscopy.

Scaling?

Process control and robustness.

Biocompatibility?

Assess toxicity and clearance.

Stability?

Environmental sensitivity management.

IP?

Rapidly evolving; perform searches.

Try it live

Everything above runs in your browser — open Reaction-Diffusion and change the parameters while it is running. Nothing is installed, nothing is uploaded, the whole model lives in one tab.

▶ Open Reaction-Diffusion simulation