Recent advances in the design and application of redox-active fluorescent proteins (FPs) stimulated an interest in the electronic structure of the ionized/electron-detached FP chromophores. Here, we report the results of a computational study of the electron-detached and ionized states of model chromophores of green and red FPs. We focus on the analysis of the effects of the phenolate OH group ...

The synthesis and photovoltaic study of five dyes based on 4H-pyranylidene moiety as donor is reported. A thiophene unit conjugated with/without an ethynyl bond acts the π-relay benzoic acid anchor group a trifluoromethyl group. Their electrochemical optical properties are analyzed by using joint experimental theoretical approach. presence leads to enhancement molar extinction coefficient, bein...

In this present report, luminescent ordered multilayer thin films (OMFs) based on oppositely-charged inorganic nanosheets and the different oppositely-charged chromophores were fabricated via layer-by-layer assembly method. Exfoliated layered double hydroxides (LDHs) and montmorillonite (MMT) nanosheets with opposite charges can be expected to provide a pseudo electronic microenvironment (PEM) ...

Polarization anisotropy is investigated in single porous silicon nanoparticles containing multiple chromophores. Two classes of nanoparticles, low current density and high current density, are studied. Low current density samples exhibit red-shifted spectra and contain only one or two chromophores. High current density particles, on average, contain less than four chromophores and display a blu...

Biomedical photoacoustic tomography (PAT) can provide qualitative images of biomedical soft tissue with high spatial resolution. However, whether it is possible to give accurate quantitative estimates of the spatially varying concentrations of the sources of photoacoustic contrast-endogenous or exogenous chromophores-remains an open question. Even if the chromophores' absorption spectra are kno...

We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute mole...

IT sometimes happens in organic chemistry that a large body of related fact accumulates which seemingly cannot be rationalized on the basis of the currently available theoretical concepts. In such circumstances, substantial clarification may often be achieved by an approach which is novel only in application .to the system at band. The pieces of the puzzle may then fall into place and experimen...