Microwave-Assisted Synthesis and Evaluation of Antimicrobial Activity of 3-{3-(s-Aryl and s-Heteroaromatic)acryloyl}-2Hchromen-2-one Derivatives

The exploration of potential utilization of microwaves as an energy source for heterocyclic synthesis was herein investigated using condensation of 3-acetylcoumarin (1) with aromatic and heteroaromatic aldehydes to afford the corresponding aromatic chalcones (2a–j) and heteroaromatic chalcones (3a–e and 4a–e), respectively, in good to excellent yield within 1–3 min. The chemical structures were confirmed by analytical and spectral data. All the synthesized compounds were screened for their antibacterial activity and 3-{3-(4-dimethylaminophenyl)acryloyl}-2H-chromen-2-one (2i) was discovered to be the most active at minimum inhibitory concentration (MIC) value of 7.8 µg/m

Ultrafast photoinduced electron transfer in coumarin 343 sensitized TiO2-colloidal solution

Photoinduced electron transfer from organic dye molecules to semiconductor nanoparticles is the first and most important reaction step for the mechanism in the so called “wet solar cells” [1]. The time scale between the photoexcitation of the dye and the electron injection into the conduction band of the semiconductor colloid varies from a few tens of femtoseconds to nanoseconds, depending on the specific electron transfer parameters of the system, e.g., electronic coupling or free energy values of donor and acceptor molecules [2–10]. We show that visible pump/ white light probe is a very efficient tool to investigate the electron injection reaction allowing to observe simultaneously the relaxation of the excited dye, the injection process of the electron, the cooling of the injected electron and the charge recombination reaction

Ab-Initio Calculation of Molecular Aggregation Effects: a Coumarin-343 Case Study

We present time-dependent density functional theory (TDDFT) calculations for single and dimerized Coumarin-343 molecules in order to investigate the quantum mechanical effects of chromophore aggregation in extended systems designed to function as a new generation of sensors and light-harvesting devices. Using the single-chromophore results, we describe the construction of effective Hamiltonians to predict the excitonic properties of aggregate systems. We compare the electronic coupling properties predicted by such effective Hamiltonians to those obtained from TDDFT calculations of dimers, and to the coupling predicted by the transition density cube (TDC) method. We determine the accuracy of the dipole-dipole approximation and TDC with respect to the separation distance and orientation of the dimers. In particular, we investigate the effects of including Coulomb coupling terms ignored in the typical tight-binding effective Hamiltonian. We also examine effects of orbital relaxation which cannot be captured by either of these models

Structure and mechanical properties of artificial protein hydrogels assembled through aggregation of leucine zipper peptide domains

Artificial protein hydrogels made from a triblock protein (designated AC10A, where A is an acidic zipper domain and C10 comprises 10 repeats of the nonapeptide sequence exhibit normalized plateau storage moduli (G/nkT) less than 0.13 at all concentrations, pH values, and ionic strengths examined. These gels are surprisingly soft due to loop formation at the expense of bridges between physical junctions. Molecular-level evidence of loop formation is provided by strong fluorescence energy transfer (FRET) between distinct chromophores placed at the C- and N-termini of labelled chains diluted in an excess of unlabelled chains. The tendency to form loops originates from the compact size of the random coil midblock (mean RH(C10) 20 Å, determined from quasi-elastic light scattering of C10), and is facilitated by the ability of the leucine zipper domains to form antiparallel aggregates. Although the aggregation number of the leucine zipper domains is small (tetrameric, determined from multi-angle static light scattering of AC10 diblock), the average center-to-center distance between aggregates is roughly 1.5 times the average end-to-end distance of the C10 domain in a 7% w/v network. To avoid stretching the C10 domain, the chains tend to form loops. Changes in pH or ionic strength that expand the polyelectrolyte midblock favor bridging, leading to greater G as long as leucine zipper endblocks do not dissociate. Understanding of the network structure provided successful design strategies to increase the rigidity of these hydrogels. In contrast to intuitive design concepts for rubber and gel materials, it was shown that increasing either the length or the charge density of the midblock increases rigidity, because fewer chains are wasted in loop formation

Broadly tunable (440-670 nm) solid-state organic laser with disposable capsules

An innovative concept of thin-film organic solid-state laser is proposed, with diffraction-limited output and a broad tuning range covering the visible spectrum under UV optical pumping. The laser beam is tunable over 230 nm, from 440 to 670 nm, with a 3 nm full width at half maximum typical spectral width. The structure consists of a compact fixed bulk optical cavity, a polymeric intracavity etalon for wavelength tuning, as well as five different disposable glass slides coated with a dye-doped polymer film, forming a very simple and low-cost gain medium. The use of interchangeable/disposable "gain capsules" is an alternative solution to photodegradation issues, since gain chips can be replaced without realignment of the cavity. The laser lifetime of a single chip in ambient conditions and without encapsulation was extrapolated to be around 107 pulses at a microjoule energy-per-pulse level

Development auxiliaries for dyeing polyester with disperse dyes at low temperatures

High-molecular weight organic compounds known as carriers are widely used to expedite polyester dyeing at atmospheric pressure at 100 °C. However, carriers are usually poorly biodegradable and can partially plasticize fibres. Also, dyeing at temperatures above 100 °C in the absence of a carrier entails using expensive equipment. In this work, we developed an alternative method for dyeing polyester at temperatures below 100 °C that reduces energy expenses, dispenses with the need to invest in new equipment and avoids the undesirable effects of non-biodegradable carriers. The method uses disperse dyes in a microemulsion containing a low proportion of a non-toxic organic solvent and either of two alternative development auxiliaries (coumarin and o-vanillin) that is prepared with the aid of ultrasoundPostprint (published version

Range separated hybrid density functional study of organic dye sensitizers on anatase TiO2_2 nanowires

The adsorption of organic molecules coumarin and the donor-$\pi$-acceptor type tetrahydroquinoline (C2-1) on anatase (101) and (001) nanowires have been investigated using screened Coulomb hybrid density functional theory calculations. While coumarin forms single bond with the nanowire surface, C2-1 additionally exhibits bidentate mode giving rise to much stronger adsorption energies. Nonlinear solvation effects on the binding characteristics of the dye chromophores on the nanowire facets have also been examined. These two dye sensitizers show different electronic charge distributions for the highest occupied and the lowest unoccupied molecular states. We studied the electronic structures in terms of the positions of the band edges and adsorbate related band gap states and their effect on the absorption spectra of the dye-nanowire combined systems. These findings were interpreted and discussed from the view point of better light harvesting and charge separation as well as in relation to more efficient charge carrier injection into the semiconductor nanowire.Comment: 8 pages, 4 figures, and 1 tabl

Recent advances in the synthesis and application of fluorescent α-amino acids

Fluorescence spectroscopy has become a powerful technique for probing a range of complex biological processes including enzyme mechanisms and protein-protein interactions. While the application of this technique uses a number of strategies, many of these rely on the use of fluorescent α-amino acids. This review highlights the recent synthetic methods developed for the incorporation of highly conjugated chromophores into the side-chain of α-amino acids and the application of these compounds as probes for imaging in medicine and biology. In particular, the design and synthesis of α-amino acids bearing coumarin, flavone and polyaromatic derived chromophores is described

Unbreakable codes in electrospun fibers : digitally encoded polymers to stop medicine counterfeiting

Fluorescent polymer solutions can easily be electrospun into micrometer-sized fibers and subsequently encoded with long lasting digital codes by a photobleaching process. Such encoded fibers may find various applications; as illustrated in this report, placing encoded fibers in drug tablets may become a strategy to protect them from counterfeiting