Weak Interactions of the Isomers of Phototrexate and Two Cavitand Derivatives
Abstract
:1. Introduction
2. Results
2.1. Determination of the Association Constants
2.2. Modelling Studies
3. Discussion
4. Materials and Methods
4.1. Synthesis of Tetrakis(3,5-dicarboxylatophenoxy)-cavitand (TDC, 3)
4.2. Synthesis of PHX
4.3. Other Chemicals and Instruments
4.4. Data Evaluation
4.5. Modelling
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Temperature (K) | log K | |||
---|---|---|---|---|
trans-PHX-TAC | trans-PHX-TDC | cis-PHX-TAC | cis-PHX-TDC | |
293 | 3.55 ± 0.19 | 3.05 ± 0.15 | 2.07 ± 0.17 | 3.08 ± 0.25 |
298 | 3.62 ± 0.21 | 2.95 ± 0.19 | 2.40 ± 0.21 | 3.03 ± 0.21 |
303 | 3.89 ± 0.18 | 2.88 ± 0.17 | 2.78 ± 0.22 | 2.90 ± 0.22 |
308 | 4.01 ± 0.20 | 2.73 ± 0.16 | 3.01 ± 0.20 | 2.88 ± 0.18 |
ΔH (kJ·mol−1) | ΔS (J·K−1·mol−1) | ΔG (kJ·mol−1) | |
---|---|---|---|
trans-PHX-TAC | 57.30 ± 2.84 | 262.97 ± 11.36 | −21.10 ± 4.03 |
trans-PHX-TDC | −35.97 ± 3.69 | −64.10 ± 10.43 | −16.85 ± 3.21 |
cis-PHX-TAC | 109.65 ± 6.93 | 414.12 ± 17.51 | −13.83 ± 3.35 |
cis-PHX-TDC | −24.88 ± 3.20 | −25.94 ± 4.72 | −17.15 ± 3.62 |
ΔH (kJ·mol−1) | ΔS (J·K−1·mol−1) | ΔG (kJ·mol−1) | |
---|---|---|---|
trans-PHX-TAC | 42.13 | 210.99 | −20.89 |
trans-PHX-TDC | −33.63 | −58.13 | −16.29 |
cis-PHX-TAC | 101.11 | 392.09 | −15.79 |
cis-PHX-TDC | −23.54 | −22.93 | −16.70 |
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Preisz, Z.; Nagymihály, Z.; Kollár, L.; Kálai, T.; Kunsági-Máté, S. Weak Interactions of the Isomers of Phototrexate and Two Cavitand Derivatives. Int. J. Mol. Sci. 2021, 22, 10764. https://0-doi-org.brum.beds.ac.uk/10.3390/ijms221910764
Preisz Z, Nagymihály Z, Kollár L, Kálai T, Kunsági-Máté S. Weak Interactions of the Isomers of Phototrexate and Two Cavitand Derivatives. International Journal of Molecular Sciences. 2021; 22(19):10764. https://0-doi-org.brum.beds.ac.uk/10.3390/ijms221910764
Chicago/Turabian StylePreisz, Zsolt, Zoltán Nagymihály, László Kollár, Tamás Kálai, and Sándor Kunsági-Máté. 2021. "Weak Interactions of the Isomers of Phototrexate and Two Cavitand Derivatives" International Journal of Molecular Sciences 22, no. 19: 10764. https://0-doi-org.brum.beds.ac.uk/10.3390/ijms221910764