Circular dichroism (CD) spectroscopy is widely used in structural biology as a technique for examining the structure, folding and conformational changes of proteins. A new server, ValiDichro, has been developed for checking the quality and validity of CD spectral data and metadata, both as an aid to data collection and processing and as a validation procedure for spectra to be included in publi...

The magnetic circular dichroism of the d-d transitions of Co(I1) when substituted for Zn(I1) in the Zn(II)-Cu(I1) enzyme bovine superoxide dismutase enzyme is reported. Magnetic circular dkhroism of the Co(I1) chromophore in the Co(II)-Cu(I1) enzyme is typical of tetrahedral Co(I1) compounds. The magnetic circular dichroism band pattern is almost identical with the magnetic circular dichroism o...

Further lines of the anomalous optical absorption spectrum in low metamict zircon have been observed in the infra-red. Low-temperature polarization studies have enabled a clear distinction to be made between lines due to the anomalous spectrum and those due to the normal spectrum of U ~in zircon. Magnetic circular dichroism measurements showed, for the anomalous spectrum, only contributions due...

Recently, we have made significant improvements in the accuracy of calculations of the circular dichroism of proteins from first principles. The quality of these calculations (especially at 220 nm, a key wavelength, where the intensity of the band correlates well with the helical content of polypeptides) has given us confidence to use such calculations to analyse nanosecond molecular dynamics s...

The interactions of three representative gold(III) complexes with human telomeric DNA sequences were analysed using a variety of biophysical methods, including DNA melting, circular dichroism, SPR and ESI MS; remarkable interactions were highlighted for all tested complexes, although they were associated to significantly different binding profiles. The most interesting compound was Auoxo6, a di...

The nonlocal second- and third-order susceptibilities of an isotropic ensemble of aggregates are calculated by solving the nonlinear exciton equations which map the system into coupled anharmonic oscillators. Both electric and magnetic contributions are included using the minimal-coupling Hamiltonian. The various tensor components are evaluated to first order in the optical wave vector k. Addit...

The absolute configuration of the diterpenoid 9,12-cyclomulin-13-ol (1), a constituent of Azorella and Laretia species, has been established by vibrational circular dichroism spectroscopy in combination with density functional theory calculations. The obtained normal diterpene absolute configuration confirms that of azorellanol (2), which was determined by single crystal X-ray diffraction.

This article describes the development and creation of the Protein Circular Dichroism Data Bank (PCDDB), a deposition and searchable data bank for validated circular dichroism spectra located at http://pcddb.cryst.bbk.ac.uk/.

Three megastigmane derivatives, (6R, 7Z)-9,10-dihydroxy-4,7-megastigmadien-3-one, (6S,7E)-6,9,10trihydroxy-4,7-megastigmadien-3-one 6-O-β-D-glucopyranoside and (5R, 6S, 7E)-6, 9, 10-trihydroxy-7megastigmane-3-one 9-O-β-D-glucopyranoside, along with fourteen known compounds, were isolated from an ethanolic extract of Cissus quadrangularis Linn. The structures of the megastigmane derivatives were...

Conventional circular dichroism (cCD) spectroscopy is a valuable tool for secondary structure analyses of proteins. In recent years, it has been possible to use synchrotrons as light sources for CD, with the technique being known as Synchrotron Radiation Circular Dichroism (SRCD). In this study, the spectra of two proteins, the primarily helical myoglobin and the primarily beta-sheet concanaval...