Alessandro Biancardi

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Solvatochromism is commonly used in many fields of chemical and biological research to study bulk and local polarity in macrosystems (membranes, etc.), or even the conformation and binding of proteins. Despite its wide use, solvatochromism still remains a largely unknown phenomenon due to the extremely complex coupling of many different interactions and(More)
Photosynthesis is triggered by the absorption of light by light-harvesting (LH) pigment-protein complexes followed by excitation energy transfer to the reaction center(s). A promising strategy to achieve control on and to improve light harvesting is to complement the LH complexes with plasmonic particles. Here a recently developed QM/MM/continuum approach(More)
We have studied the emission features of the fluorescent polarity-sensitive probes known as Prodan and Laurdan in a liquid-crystalline DPPC bilayer. To this purpose, we have combined high-level quantum mechanical electronic structure calculations with a molecular field theory for the positional-orientational-conformational distribution of the probes, in(More)
The preservation of stability and body coordination in humans is assured by the correct working of the postural control system. Usually, postural oscillations is measured by the magnitude of center of pressure (CoP) movement over time. The conventional parameters in frequency domain to quantify changes of the CoP dynamics are estimated using Fourier(More)
We introduce a new method to compute the optical absorption spectra of complex molecular systems in solution, based on the Liouville approach to time-dependent density-functional perturbation theory and the revised self-consistent continuum solvation model. The former allows one to obtain the absorption spectrum over a whole wide frequency range, using a(More)
The quantitative assessment of the postural stability is allowed by means of the use of pressure or force plates which are able to record a CoP subject's trajectory during a quite standing. However, the pressure or force plates are commonly used in a clinical environment, due to their very complexity and expensiveness. So their applicability outside(More)
A Density Functional Theory (DFT) study of the absorbance and fluorescence emission characteristics of the cyanine thiazole orange (TO) in solution and when intercalated in DNA was carried out in combination with spectrophotometric and spectrofluorometric experiments under different conditions (temperature, concentration, solvent viscosity). T-jump(More)
The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL(2+)) were investigated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL(2+) and on its possible mono- and(More)
The fluorescent probe 4',6-diamidino-2-phenylindole (DAPI) is a dye known to interact with polynucleotides in a non-univocal manner, both intercalation and minor groove binding modes being possible, and to specifically change its photophysical properties according to the different environments. To investigate this behavior, quantum-mechanical calculations(More)
Understanding the modulation of the electronic coupling in donor-acceptor systems connected through an aliphatic bridge is crucial from a fundamental point of view as well as for the development of organic electronics. In this work, we present a first-principles approach for the calculation of the electronic coupling (or transfer integrals) in such systems(More)