Chemistry (Scholarly Publications): Recent submissions
Now showing items 921-931 of 931
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Correlation studies on structurally diverse porphyrin monomers, dimers and trimers and their nonlinear optical responses
(2009)An investigation of the nonlinear absorption of a wide range of structurally diverse porphyrin monomers, bisporphyrins and trisporphyrins, using open Z-scan technique with 6 ns pulsed laser operating at 532 nm was carried ... -
Lead structures for Applications in Photodynamic Therapy. 2. Synthetic studies for photo-triggered release systems of bioconjugate porphyrin photosensitizers
(2009)Photodynamic therapy (PDT) selectivity and specificity can be improved by binding the photosensitizers to target receptors. One approach is to cross-link porphyrins to a biological target receptor via the photocleavable ... -
X-ray spectroscopic study of the electronic structure of CuCrO2
(2009)The electronic structure of the p-type transparent conducting oxide CuCrO2 has been studied by x-ray photoemission, x-ray absorption, and x-ray emission spectroscopies. The upper part of the valence band derives mainly ... -
Nature of electronic states at the Fermi level of metallic beta-PbO2 revealed by hard x-ray photoemission spectroscopy
(APS, 2007)The nature of electronic states at the Fermi energy in metallic beta-PbO2 has been identified by hard x-ray photoemission spectroscopy (HXPS) combined with x-ray emission spectroscopy and density-functional theory calculations. ... -
Modelling the interaction of catecholamines with the alpha1A Adrenoceptor- towards a ligand-induced receptor structure
(2005)Adrenoceptors are members of the important G protein coupled receptor family for which the detailed mechanism of activation remains unclear. In this study, we have combined docking and molecular dynamics simulations to ... -
Theoretical proton affinities of alpha1 adrenoceptor ligands
(2006)A systematic study has been performed of the proton affinity of a large family of agonists and antagonists of the ?1-adrenoceptor at the B3LYP/6-31G* level of theory. After a conformational search, all the N atoms were ... -
Covalently bonded porphyrin networks studied by x-ray absorption and photoemission
(2009)Molecular self-assembly may be defined as the spontaneous association of molecules under equilibrium conditions into stable, structurally well defined aggregates joined by non-covalent bonds [1]. The basic idea is to ... -
(5-tert-Butylporphyrinato)copper(II), a nonplanar porphyrin with only one sterically demanding meso residue
(2011)The title compound, [Cu(C24H20N4)], is a rare example of a porphyrin carrying only one substituent. Its crystal structure exhibits two molecules in the asymmetric unit. The bulky meso tert-butyl residue gives rise to a ... -
Anthracenylporphyrins
(2010)We report the synthesis and characterization of meso-anthracenylporphyrins with zinc and nickel metal centers. A variety of novel aryl and alky meso substituted anthracenylporphyrins were synthesized via step-wise Suzuki ... -
Ni porphyrins and N-confused porphyrin: electronic structure studied by X-ray absorption
(2009)Due to their unique properties transition metal porphyrins are widely used in many technological applications such as sensors, solar cells, nonlinear optics and nanomaterials [1]. During the last decade the coordination ...
