Computational studies on optoelectronic and charge transfer properties of some perylene‐based donor‐π‐acceptor systems for dye sensitized solar cell applications

We report DFT studies on some perylene‐based dyes for their electron transfer properties in solar cell applications. The study involves modeling of different donor‐π‐acceptor type sensitizers, with perylene as the donor, furan/pyrrole/thiophene as the π‐bridge and cyanoacrylic group as the acceptor. The effect of different π‐bridges and various substituents on the perylene donor was evaluated in terms of opto‐electronic and photovoltaic parameters such as HOMO‐LUMO energy gap, λ_max, light harvesting efficiency(LHE), electron injection efficiency (Ø_inject), excited state dye potential (E^dye*), reorganization energy(λ), and free energy of dye regeneration (). The effect of various substituents on the dye–I₂ interaction and hence recombination process was also evaluated. We found that the furan‐based dimethylamine derivative exhibits a better balance of the various optical and photovoltaic properties. Finally, we evaluated the overall opto‐electronic and transport parameters of the TiO₂‐dye assembly after anchoring the dyes on the model TiO₂ cluster assembly.     

Synthesis and biological evaluation of <Superscript>99m</Superscript>Tc labeled aryl piperazine derivatives as cerebral radiotracers

The aim of this study is to develop cerebral radiotracers for central nervous system receptors imaging. The synthesis, characterization and biological evaluation of two aryl piperazine ^99mTc-radiocomplexes based on the piano stool motif [CpM(CO₃)] (Cp = cyclopentadienyl, M = ^99mTc/Re) is reported. The ^99mTc-radiocomplexes were obtained quickly (time < 5 min) with high radiochemical yields. The ^99mTc-radiocomplexes characterized by high performance liquid chromatography comparison with the rhenium surrogates have both a suitable lipophilicity and are able to cross the blood brain barrier with 0.43 ± 0.05 and 1.96 ± 0.06% ID/g of brain uptake, at 10 min post injection.     

<Superscript>99m</Superscript>Tc-Labeled human and camel lactoferrin for detection of <Emphasis Type="Italic">Staphylococcus aureus</Emphasis> infections

Human and camel lactoferrin, were labeled with technetium-99m using a simple technique that yielded a labelling efficiency of 98% and stable complexes over time. The camel Lactoferrin was purified. The proteins were investigated for targeting infections in experimental animals. The biodistribution of those labeled proteins in mice infected with Staphylococcus aureus at the femoral muscle was investigated and test ratios of 3.43 and 3.71 were obtained after 60 min for the camel and the human Lactoferrin, respectively. These values were compared to each other and to those reported in the literature, leading us to conclude that the radiotracers are efficient.