We report on a fully quantum chemical investigation of important structural and environmental effects on the site energies of chlorophyll pigments in green-plant light-harvesting complex II (LHC II). Among the tested factors are technical and structural aspects as well as effects of neighboring residues and exciton couplings in the chlorophyll network. By employing a subsystem time-dependent de...

Mixed ligand complexes of transition metal with 8-quinolinols and 5-Alkoxumethyl-8-quinolinol have been prepared. Structural, spectroscopic and thermal properties have been studied on the basis of infrared spectra, Mass spectra, NMR spectra, electronic spectra, and elemental analyses. Also their antibacterial activities against Gram – ve (Escherichia coli and Ps. Aeruginosa Bacillus subtilis) a...

We construct a natural continuous map from the triangular spectrum of a tensor triangulated category to the algebraic Zariski spectrum of the endomorphism ring of its unit object. We also consider graded and twisted versions of this construction. We prove that these maps are quite often surjective but far from injective in general. For instance, the stable homotopy category of finite spectra ha...

The ongoing quest to identify molecules in the interstellar medium by their electronic spectra in the visible region is reviewed. Identification of molecular absorption is described in the context of the elucidation of the carriers of the unidentified diffuse interstellar bands while molecular emission is discussed with reference to the unidentified Red Rectangle bands. The experimental techniq...

Graphene has shown great application potential as the host material for next-generation electronic devices. However, despite its intriguing properties, one of the biggest hurdles for graphene to be useful as an electronic material is the lack of an energy gap in its electronic spectra. This, for example, prevents the use of graphene in making transistors. Although several proposals have been ma...

In recent years, a significant number of novel metabolites with potent pharmacological properties (antioxidant, antitumor, anti-HIV etc.) have been discovered from the marine organisms. Kappaphycus alvarezii (Doty). Being an invasive in the Gulf of Mannar after 2000 AD, has high content of steroid, phenol etc., this work was the first report of its medical application. The present study investi...

The synthesis, structure, and electronic spectra of a series of DNA hairpins possessing two perylenediimide (PDI) base pair surrogates are reported. The PDI chromophores are located in opposite strands of the hairpin base pair domain opposite abasic sites and are either adjacent to each other or separated by a variable number of AT or GC base pairs. Molecular modeling of the conjugate having ad...

The red Pechmann dye (λ(max) = 550 nm) is the exo-dimer of 4-phenyl-3-butenolide connected at the α-carbon by a double bond in a trans-fashion. The ring system is easily rearranged to the trans-endo-fused bicyclic 6-membered lactone dimer (yellow). Both lactones can be singly or doubly amidated with primary amines leading to further colour changes. The nature of the core heterocycle (exo- vs. e...

The influence of the normal mode rotation (i.e. the Duschinsky mixing) on the molecular electronic spectra in polyatomic molecules is treated by means of multidimensional intramolecular distributions (MID). It is shown that symmetry properties of the two-dimensional MID which relate emission and absorption spectra or pertain to the exchange of modes do not exist if the number of non-separable m...

We have investigated the spectrum of discrete electronic states in single, nm-scale Al particles incorporated into new tunneling transistors, complete with a gate electrode. The addition of the gate has allowed (a) measurements of the electronic spectra for different numbers of electrons in the same particle, (b) greatly improved resolution and qualitatively new results for spectra within super...