A qualitative molecular orbital picture of 2‐substituted carbonyl derivatives of furan and pyrroleHomogeneous immunoassayimmunoassay, homogeneousenzyme immunoassayimmunoassay, enzymeantigensantibodiesligand bindingseparation-free enzyme immunoassaysubstrate and prosthetic group labels...
This picture is confirmed in the upper plot of Fig. 4b, which shows almost immediate population transfer from S2 to S1 via internal conversion (zoomed-in view in Extended Data Fig. 6), followed by another rapid internal conversion to S0, with only a small fraction (<10%) of the populatio...
Ab initio and CNDO/2 molecular orbital calculations have been done for the Dewar and valene structures of pyrrole and furan in order to determine the configurations of minimum energy.Zdzisław Latajka and Henryk Ratajczak and W.J. Orville-Thomas and Emil Ratajczak...
ChemInform Abstract: CONFORMATIONS OF FURAN‐, PYRROLE‐, AND PYRIDINE‐CARBOXALDEHYDES‐ AN AB INITIO MOLECULAR ORBITAL STUDYstructure (organic substancesNo abstract is available for this article.doi:10.1002/chin.197801070JOHN, I. GRITCHIE, G. L. D...
We target benzodithiophene- (BDT) and diketopyrrolopyrrole- (DPP) based conjugated polymers because they are the most common and successful family of materials in OPV26. We chose a perylene diimide (PDI) derivative as the acceptor because it is a commonly used chemical motif in acceptor ...
molecular oxygen and other substances. Radical cations in the conjugated aromatic macromolecule are formed and neutralized by the present anions or oxygen based anions. The ratio of pyrrole moieties to anions is found, experimentally, to be about 4:1. In this work emphasis has been placed on the...
To have a better picture of the consequences that the activation of certain key regulatory molecules has on the PAH, we focused on investigating specific markers involved in vascular remodelling, pulmonary fibrosis, right ventricular hypertrophy, but also in the epithelial-mesenchymal transition (EMT)....
Transition metals such as zinc, copper and iron play vital roles in maintaining physiological functions and homeostasis of living systems. Molecular imagin
What caught our attention in particular was the biological activity of E-3-substituted indolin-2-one derivatives. We introduce a β-pyrrole group into the 3-position of indolin-2- ones to see whether it would enhance the interaction be- tween indolin-2-one compounds and tyrosine kinase and...
A systematic study of the anharmonic vibration frequencies has been performed for furan, pyrrole, thiophene, both oxazoles and thiazoles, and both oxa- and thiadiazoles. The calculations were carried out under standard conditions with both the cc-pVTZ and a TZ2P basis set, and used both the...