Interaction of an antituberculosis drug with nano-sized cationic micelle: Förster resonance energy transfer from dansyl to rifampicin in the microenvironment

In this contribution, we report studies on the interaction of an antituberculosis drug rifampicin (RF) in a macromolecular assembly of CTAB with an extrinsic fluorescent probe, dansyl chloride (DC). The absorption spectrum of the drug RF has been employed to study Förster resonance energy transfer (FRET) from DC, bound to the CTAB micelle using picosecond resolved fluorescence spectroscopy. We have applied a kinetic model developed by Tachiya to understand the kinetics of energy transfer and the distribution of acceptor (RF) molecules around the donor (DC) molecules in the micellar surface with increasing quencher concentration. The mean number of RF molecules associated with the micelle increases from 0.24 at 20 μm RF concentration to 1.5 at 190 μm RF concentration and consequently the quenching rate constant (k_q) due to the acceptor (RF) molecules increases from 0.23 to 0.75 ns^?1 at 20 and 190 μm RF concentration, respectively. However, the mean number of the quencher molecule and the quenching rate constant does not change significantly beyond a certain RF concentration (150 μm ), which is consistent with the results obtained from time resolved FRET analysis. Moreover, we have explored the diffusion controlled FRET between DC and RF, using microfluidics setup, which reveals that the reaction pathway follows one‐step process.     

Ultrafast Dynamics of Solvation and Charge Transfer in a DNA‐Based Biomaterial

Charge migration along DNA molecules is a key factor for DNA‐based devices in optoelectronics and biotechnology. The association of a significant amount of water molecules in DNA‐based materials for the intactness of the DNA structure and their dynamic role in the charge‐transfer (CT) dynamics is less documented in contemporary literature. In the present study, we have used a genomic DNA–cetyltrimethyl ammonium chloride (CTMA) complex, a technological important biomaterial, and Hoechest 33258 (H258), a well‐known DNA minor groove binder, as fluorogenic probe for the dynamic solvation studies. The CT dynamics of CdSe/ZnS quantum dots (QDs; 5.2 nm) embedded in the as‐prepared and swollen biomaterial have also been studied and correlated with that of the timescale of solvation. We have extended our studies on the temperature‐dependent CT dynamics of QDs in a nanoenvironment of an anionic, sodium bis(2‐ethylhexyl)sulfosuccinate reverse micelle (AOT RMs), whereby the number of water molecules and their dynamics can be tuned in a controlled manner. A direct correlation of the dynamics of solvation and that of the CT in the nanoenvironments clearly suggests that the hydration barrier within the Arrhenius framework essentially dictates the charge‐transfer dynamics.     

Application of Metal-Organic Frameworks in Adsorptive Removal of Organic Contaminants from Water,Fuel and Air

Currently, our environment is contaminated with various toxic substances. Removal of such hazardous materials from water, air and fuel is important for sustainability. In this minireview, adsorptive removal of organic substances, by using metal-organic frameworks (MOFs), for our safe environment will be discussed. For example, removal of (i) pharmaceuticals/personal care products, pesticides, and dyes from water; (ii) S- or N-containing compounds from liquid fuel; and (iii) volatile organic compounds from air will be summarized. Moreover, plausible mechanisms to explain the observation will also be discussed. Finally, prospects in the field will be suggested for further research and development.     

Relativistic second-harmonic generation in a laser-produced plasma

Summary In this paper the relativistic second-harmonic generation of a high-power laser radiation in a laser-produced plasma has been studied theoretically in the presence of a self-generated magnetic field. The relativistic Vlasov equation has been employed for the nonlinear response of the electrons in the hot magnetized plasma. It is observed that the power conversion efficiency of the generated second harmonic wave is much higher for relativistic calculations than that for nonrelativistic calculations. To speed up publication, the authors of this paper have agreed to not receive the proofs for correction.     

Computational Creativity and Aesthetics with Algorithmic Information Theory

We build an analysis based on the Algorithmic Information Theory of computational creativity and extend it to revisit computational aesthetics, thereby, improving on the existing efforts of its formulation. We discuss Kolmogorov complexity, models and randomness deficiency (which is a measure of how much a model falls short of capturing the regularities in an artifact) and show that the notions of typicality and novelty of a creative artifact follow naturally from such definitions. Other exciting formalizations of aesthetic measures include logical depth and sophistication with which we can define, respectively, the value and creator’s artistry present in a creative work. We then look at some related research that combines information theory and creativity and analyze them with the algorithmic tools that we develop throughout the paper. Finally, we assemble the ideas and their algorithmic counterparts to complete an algorithmic information theoretic recipe for computational creativity and aesthetics.     

Simultaneous binding of anti-tuberculosis and anti-thrombosis drugs to a human transporter protein: a FRET study

Although rifampicin (Rf) is one of the most effective antibiotics against infection caused by Mycobacterium tuberculosis, interaction of the drug with universal carrier protein in human blood plasma is not fully understood. Reduction of medicinal efficacy of other drugs, including anti-thrombosis drug warfarin (Wf), to the patients on Rf therapy also needs molecular understanding. In the present work we have studied interaction of Rf with one of the model carrier protein (human serum albumin). By using circular dichroism (CD) spectroscopy we have characterized the change in the secondary structure of the protein. The consequence of the simultaneous binding of the two drugs, Rf and Wf, on the structure of the protein has also been explored. Picosecond resolved F?rster resonance energy transfer (FRET) from Wf to Rf explores possible binding sites of the anti-tuberculosis drug on the protein. In this report, we have discussed the potential problem of using the single tryptophan of the protein (Trp 214) as energy donor in FRET experiment for the characterization of the binding site of the drug Rf on the protein.