Microbes and microbial strategies in carcinogenic polycyclic aromatic hydrocarbons remediation: a systematic review.

Degradation, detoxification, or removal of the omnipresent polycyclic aromatic hydrocarbons (PAHs) from the ecosphere as well as their prevention from entering into food chain has never appeared simple. In this context, cost-effective, eco-friendly, and sustainable solutions like microbe-mediated strategies have been adopted worldwide. With this connection, measures have been taken by multifarious modes of microbial remedial strategies, i.

Non-covalent interactions between epinephrine and nitroaromatic compounds: A DFT study.

Here, we present a density functional theory (DFT) study of hydrogen bonding and π-π stacking interactions between epinephrine and different aromatic nitro-compounds in gas phase as well as in methanol solvent. Detail investigations of hydrogen bonding and π-π interactions are performed and confirmed on the basis of theoretical IR spectra, natural bond orbital (NBO) analysis, non-covalent interaction (NCI), chemical reactivity descriptors and electronic spectra. Among different functionals used for the calculation, the results obtained from ωB97XD functional are found to be more suitable to describe the hydrogen bonding and π-π stacking phenomenon for our considered systems.

Spectroscopic and theoretical studies of charge-transfer interaction of 1-(2-pyridylazo)-2-napthol with nitroaromatics.

1-(2-Pyridylazo)-2-napthol (hereafter 1Q) is widely used as a chelating ligand applied in chelatometric, spectrophotometric analysis of metal ions. It appeared from the literature survey that no inclusion complex of 1Q was reported with nitroaromatics. The formation of charge-transfer complex gives an opportunity to improve the physico-chemical properties of different donors.

Recognition of steric factor in external association of xanthenocrown-5 and bis-napthalenocrown-6 with bis(benzimidazolium)propane borontetrafluoride.

This is the first report of charge transfer band for crown-axel H-bonding interaction in acetonitrile medium. Monte Carlo simulation established external association of small cavity crown with BBIM-propane dication axels. Resonance energy, binding constant and ratiometric detection of association of xanthenocrown-5 (1) and bis-napthalenocrown-6 (2) with bis-(benzimidazolium)propane borontetrafluoride (3a-3d) in acetonitrile determined the effect of steric factor towards association.

Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.

A new family of novel highly fluorescent π-conjugated, C7-imidazole based indolizine derivatives has been prepared in good to excellent yields, catalysed by l-proline in acetonitrile. These are π-conjugated, C7-imidazole based indolizine derivatives covering the emission wavelength range 423-449 nm in acetonitrile with high quantum yields at 25 °C. A thorough photophysical study of all the compounds has been carried out to understand the π-conjugated electronic effect of the imidazole moiety fused at the C7 position on the indolizine motif.

Quinone-Bodipy H-bonding interaction over π-stacking in toluene.

Quinone type compounds (o-chloranil, p-chloranil and DDQ) demonstrate excellent H-bonding interactions with a meso-phenol Bodipy dye (1) in both ground and excited state in a non-polar toluene medium. The spectroscopic detection of isosbestic absorption occurs with both quinones and fullerenes, but only quinones form isoemissive complexes with dye 1. (1)H NMR study and Monte Carlo global minima searching justified the above mentioned results with efficiency.

Charge transfer in the electron donor-acceptor complexes of a meso-phenol BODIPY dye with chloranils and fullerenes.

UV-Vis spectral investigations of electron donor-acceptor complexes of laser dye 2,6-Diethyl-4,4-difluoro-1,3,5,7-tetramethyl-8-(4'-hydroxyphenyl)-4-bora-3a,4a-diaza-s-indecene (1c) with chloranils and fullerenes are reported in toluene medium. Well defined charge transfer (CT) absorption bands have been located in the visible region. Oscillator strengths, transition dipole and resonance energies of the CT complexes have been estimated.