Interaction Scheme

Molecule

Untitled
Al3+

Host

Cb7
CB7

Indicator

H33342
H33342

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.55⋅104 M-1
Kd =
logKa = 4.19
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.92 -5.72
ΔH = 6.5 1.55
-TΔS = -30.0 -7.17
J mol-1 K-1 cal mol-1 K-1
ΔS = 100.6 24.0
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: Nano ITC
VCell = 1000.0 𝜇L
VSyringe = 250.0 𝜇L
Molecule: syringe
Partner: cell
Indicator: cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

Q. Wang, K. Wei, S. Huang, Q. Tang, Z. Tao, y. huang, SupraBank 2024, “Turn-Off” Supramolecular Fluorescence Array Sensor for Heavy Metal Ion Identification (dataset). https://doi.org/10.34804/supra.20221104463

Link: https://doi.org/10.34804/supra.20221104463
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

Q. Wang, K.-N. Wei, S.-Z. Huang, Q. Tang, Z. Tao, Y. Huang, ACS Omega 2021, 6, 31229–31235.

Link: https://doi.org/10.1021/acsomega.1c04956
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Al3+ (0.0012903225806451613 M) and CB7 (0 — 0.0025806451612903226 M).