FLUORESCENCE PROPERTIES OF AN ELECTRON ACCEPTOR SUBSTITUTED BIS-PYRAZOLO-PYRIDINE DERIVATIVE: NO2-DMPP*

The fluorescence properties of 3,5-dimethyl-1,7-diphenyl-4-(4'-nitrophenyl)-bis-pyrazolo- [3,4-b;4', 3'-e]-pyridine (NO 2 -DMPP) and its parent compound 3"5-dimethyl-1,7-diphenyl-bis-pyrazolo-[3"4-b;4', 3"-e]-pyridine (BPP, without the nitrophenyl substituent) were investigated. BPP is a highly fluorescent blue emitter and the fluorescence properties, the emission wavelength, and the fluorescence quantum yield, depend only slightly on solvent. On the contrary, acceptor substituted NO2-DMPP shows dual fluorescence: A long-wavelength component experiences a red-shift with increasing solvent polarity but is efficiently quenched when the polarity exceeds that of solvents like 1,2-dichloroethane or 1-bromopropane. A weak short-wavelength component changes only slightly its position and intensity upon variation of the solvent but its yield increases strongly at low temperatures. The experimental results are discussed in the context of the results of semiempirical calculations which show that fluorescence originates from two closely lying fluorescent states which change their sequence and properties when the polarity of the solvent is varied. A twisted intramolecular charge transfer (TICT) state does most likely not contribute to the emission properties, because of its high energy. PACS numbers: 33.50.Dq, 34.70.+e *The results of this paper were initially presented a

Topics on n-ary algebras

We describe the basic properties of two n-ary algebras, the Generalized Lie Algebras (GLAs) and, particularly, the Filippov (or n-Lie) algebras (FAs), and comment on their n-ary Poisson counterparts, the Generalized Poisson (GP) and Nambu-Poisson (N-P) structures. We describe the Filippov algebra cohomology relevant for the central extensions and infinitesimal deformations of FAs. It is seen that semisimple FAs do not admit central extensions and, moreover, that they are rigid. This extends the familiar Whitehead's lemma to all $n\geq 2$ FAs, n=2 being the standard Lie algebra case. When the n-bracket of the FAs is no longer required to be fully skewsymmetric one is led to the n-Leibniz (or Loday's) algebra structure. Using that FAs are a particular case of n-Leibniz algebras, those with an anticommutative n-bracket, we study the class of n-Leibniz deformations of simple FAs that retain the skewsymmetry for the first n-1 entires of the n-Leibniz bracket.Comment: 11 page

Cohomology of Filippov algebras and an analogue of Whitehead's lemma

We show that two cohomological properties of semisimple Lie algebras also hold for Filippov (n-Lie) algebras, namely, that semisimple n-Lie algebras do not admit non-trivial central extensions and that they are rigid i.e., cannot be deformed in Gerstenhaber sense. This result is the analogue of Whitehead's Lemma for Filippov algebras. A few comments about the n-Leibniz algebras case are made at the end.Comment: plain latex, no figures, 29 page

PIP2-Binding Site in Kir Channels: Definition by Multiscale Biomolecular Simulations†

Phosphatidylinositol bisphosphate (PIP(2)) is an activator of mammalian inwardly rectifying potassium (Kir) channels. Multiscale simulations, via a sequential combination of coarse-grained and atomistic molecular dynamics, enabled exploration of the interactions of PIP(2) molecules within the inner leaflet of a lipid bilayer membrane with possible binding sites on Kir channels. Three Kir channel structures were investigated: X-ray structures of KirBac1.1 and of a Kir3.1-KirBac1.3 chimera and a homology model of Kir6.2. Coarse-grained simulations of the Kir channels in PIP(2)-containing lipid bilayers identified the PIP(2)-binding site on each channel. These models of the PIP(2)-channel complexes were refined by conversion to an atomistic representation followed by molecular dynamics simulation in a lipid bilayer. All three channels were revealed to contain a conserved binding site at the N-terminal end of the slide (M0) helix, at the interface between adjacent subunits of the channel. This binding site agrees with mutagenesis data and is in the proximity of the site occupied by a detergent molecule in the Kir chimera channel crystal. Polar contacts in the coarse-grained simulations corresponded to long-lived electrostatic and H-bonding interactions between the channel and PIP(2) in the atomistic simulations, enabling identification of key side chains