Nonaqueous Capillary Electrophoretic Separation of Analogs of (24R)-1,24-Dihydroxyvitamin D3 Derivative as Predicted by Quantum Chemical Calculations
Abstract
:1. Introduction
2. Results and Discussion
2.1. Electronic Properties of Vitamin D3 Analogs
2.2. Development of Capillary Electrophoresis
3. Materials and Methods
3.1. Quantum Chemical Calculations
3.2. Chemicals and Reagents
3.3. Instrumentation
3.4. CE Conditions
3.5. Preparation of Stock and Working Standard Solutions
3.6. Method Validation
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Analogs | Hybrid Functional B3LYP 6-311 (d,p) in Methanol | Average Electrophoretic Migration Time a [min] | ||||
---|---|---|---|---|---|---|
μtotal | αtotal | ELUMO | EHOMO | Eg | ||
[Debye] | [a.u.] | [eV] | [eV] | [eV] | ||
PRI-2201 | 4.23 | 429.65 | −0.97 | −5.66 | −4.69 | 2.08 ± 0.07 |
PRI-2203 | 3.14 | 430.34 | −0.97 | −5.66 | −4.68 | 1.93 ± 0.07 |
PRI-2204 | 3.09 | 430.51 | −1.04 | −5.71 | −4.67 | 1.82 ± 0.05 |
PRI-2205 | 3.49 | 434.66 | −1.19 | −5.68 | −4.48 | 1.62 ± 0.02 |
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Grodner, B.; Żołek, T.; Kutner, A. Nonaqueous Capillary Electrophoretic Separation of Analogs of (24R)-1,24-Dihydroxyvitamin D3 Derivative as Predicted by Quantum Chemical Calculations. Molecules 2023, 28, 5055. https://doi.org/10.3390/molecules28135055
Grodner B, Żołek T, Kutner A. Nonaqueous Capillary Electrophoretic Separation of Analogs of (24R)-1,24-Dihydroxyvitamin D3 Derivative as Predicted by Quantum Chemical Calculations. Molecules. 2023; 28(13):5055. https://doi.org/10.3390/molecules28135055
Chicago/Turabian StyleGrodner, Błażej, Teresa Żołek, and Andrzej Kutner. 2023. "Nonaqueous Capillary Electrophoretic Separation of Analogs of (24R)-1,24-Dihydroxyvitamin D3 Derivative as Predicted by Quantum Chemical Calculations" Molecules 28, no. 13: 5055. https://doi.org/10.3390/molecules28135055