arXiv subjects

G. Venturoli

Publications and source records attributed to G. Venturoli.

2 recordsLinked to original sources

arXiv2010

Ab initio analysis of the x-ray absorption spectrum of the myoglobin-carbon monoxide complex: Structure and vibrations

We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory. An excellent comparison is obtained for the main part of the molecular structure without any structural fitting parameters. The geometry of the CO ligand is reliably determined using a synergic approach to data analysis. The methodology underlying this approach is expected to be especially useful in similar situations in which high-resolution data for structure and vibrations are available.

cond-mat.soft↗

arXiv2002

Liquid-liquid phase separation of a surfactant-solubilized membrane protein

The phase behavior of membrane proteins stems from a complex synergy with the amphiphilic molecules required for their solubilization. We show that ionization of a pH-sensitive surfactant, LDAO, bound to a bacterial photosynthetic protein, the Reaction Center (RC), leads in a narrow pH range to protein liquid-liquid phase separation in surprisingly stable `droplets', forerunning reversible aggregation at lower pH. Phase segregation is promoted by increasing temperature and hindered by adding salt. RC light-absorption and photoinduced electron cycle are moreover strongly affected by phase segregation.

cond-mat.soft↗