Interaction

uncurated

Interaction Scheme

Molecule

Hg2
Hg2+

Host

Cb7
CB7

Indicator

H33342
H33342

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1000.0 M-1
Kd =
logKa = 3.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.12 -4.09
ΔH = -91.0 -21.75
-TΔS = 74.0 17.69
J mol-1 K-1 cal mol-1 K-1
ΔS = -248.2 -59.3
Comment
Binding constant,enthalphy and entropy are K2, ΔH2, ΔS2 as given in the paper respectively.
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
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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
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Hg2+ (0.02 M) and CB7 (0 — 0.04 M).