The structure of the model protein hen eggwhite lysozyme dissolved in water and in five neat organic solvents (ethylene glycol, methanol, dimethylsulfoxide (DMSO), formamide, and dimethylformamide (DMF)) has been examined by means of 1 H NMR and circular dichroism (CD) spectroscopies. The NMR spectr
Structure of amphotericin B aggregates as revealed by UV and CD spectroscopies
β Scribed by C. Ernst; J. Grange; H. Rinnert; G. Dupont; J. Lematre
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1981
- Tongue
- English
- Weight
- 626 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0006-3525
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β¦ Synopsis
Abstract
The aqueous and hydroalcoholic solutions of the heptenic macrolide amphotericin B display strong and variable signals in CD and absorption spectroscopies in the range of the Ο* β Ο transition. An interpretation of the spectroscopic changes is proposed based on the equilibrium between two forms of the intermolecular organization: the aggregated one (A) with strong excitonic interaction and the nonaggregative one (B) whose spectra are like those of linear conjugated polyenes in true solution with a wellβdeveloped vibrational structure. The intermediate spectra are fitted by linear combination of the Aβ and Bβform spectra. A twoβlevel organization of the aggregates is proposed for the Aβform: (1) a close packing of few molecules, which is the origin of the absorption maxima hypsochromic shift; and (2) interaction between the preceding small units inside the aggregates, which is spectroscopically expressed by the intense CD couplet.
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## Abstract High resolution He (IΞ±) and He (IIΞ±) photoelectron spectra of cubane are reported. The assignments of the bands to different states of the cubane radical cation are made on the basis of __ab initio__ STOβ3G and MINDO/3 calculations, using geometries optimized within each treatment. The
The photoelectron (PE.) spectrum of the title compound has been assigned by comparison with the PE. spectrum of cubane (2), aided by ab initio STO-3G calculations using localized molecular orbitals. On the basis of the information available to date, the most satisfactory orbital sequence, Koopmans t