Interaction

curated

Interaction Scheme

Molecule

Untitled
Ni 2+

Host

Scx6
sCx6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5390.0 M-1
Kd =
logKa = 3.73
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -21.3 -5.09
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 479.0 nm
𝛌em = 510.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 6.0
Please find here information about the dataset this interaction is part of.
Citation:

S. Gawhale, N. Rathod, S. Patil, R. Thorave, V. Kalyani, R. Sapkal, V. Sapkal, G. Chaudhari, D. Malkhede, SupraBank 2025, The investigation of cooperative binding between p-sulfonatocalix[6]arene and fluorescein with transition metal ions by spectrometrically (dataset). https://doi.org/10.34804/supra.20210928278

Link: https://doi.org/10.34804/supra.20210928278
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Gawhale, N. Rathod, S. Patil, R. Thorave, V. Kalyani, R. Sapkal, V. Sapkal, G. Chaudhari, D. Malkhede, J Chem Sci 2019, 132, DOI 10.1007/s12039-019-1717-3.

Link: https://doi.org/10.1007/s12039-019-1717-3
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Ni 2+ (0.0037105751391465678 M) and sCx6 (0 — 0.0074211502782931356 M).