Calculation of the CD of oligo (dG-dC): Influence of basic optical parameters
| Autor: | Fritz M. Pohl, Peter Richterich |
|---|---|
| Rok vydání: | 1987 |
| Předmět: |
Circular dichroism
Chemistry Circular Dichroism Organic Chemistry Transition dipole moment Biophysics Magnetic monopole DNA General Medicine Dielectric Discrete dipole approximation Biochemistry Spectral line Biomaterials Oligodeoxyribonucleotides Polarizability Computational chemistry Helix Nucleic Acid Conformation Atomic physics |
| Zdroj: | Biopolymers. 26:231-250 |
| ISSN: | 1097-0282 0006-3525 |
| Popis: | The CD spectra between 180 and 300 nm of (dG-dC)4 · (dG-dC)4 in the A, B, and Z form of DNA were calculated with the classical polarizability theory of DeVoe. The use of the simple point dipole approximation for the calculation of interaction coefficients led to results comparable to those obtained with the point monopole approximation in previous calculations. The background oscillator strengths, effective dielectric constant, helix winding angle, and some transition moment directions were varied systematically. Very satisfying agreements between calculated and measured CD spectra were obtained with transition-moment directions that are in agreement with experimental results, except for the second transition of guanine. A value of 40° for this transition gave the best results. Possible reasons for this deviation from the experimental results and some problems inherent in the calculations of CD spectra are discussed. |
| Databáze: | OpenAIRE |
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