Fluorescence lifetimes and quantum yields of rhodamine derivatives: new insights from theory and experiment

Although lifetimes and quantum yields of widely used fluorophores are often largely characterized, a systematic approach providing a rationale of their photophysical behavior on a quantitative basis is still a challenging goal. Here we combine methods rooted in the time-dependent density functional theory and fluorescence lifetime imaging microscopy to accurately determine and analyze fluorescence signatures (lifetime, quantum yield, and band peaks) of several commonly used rhodamine and pyronin dyes. We show that the radiative lifetime of rhodamines can be correlated to the charge transfer from the phenyl toward the xanthene moiety occurring upon the S(0) ← S(1) de-excitation, and to the xanthene/phenyl relative orientation assumed in the S(1) minimum structure, which in turn is variable upon the amino and the phenyl substituents. These findings encourage the synergy of experiment and theory as unique tool to design finely tuned fluorescent probes, such those conceived for modern optical sensors.     

Comparing perfect and 2nd Voronoi decompositions: the matroidal locus

We compare two rational polyhedral admissible decompositions of the cone of positive definite quadratic forms: the perfect cone decomposition and the 2nd Voronoi decomposition. We determine which cones belong to both the decompositions, thus providing a positive answer to a conjecture of Alexeev and Brunyate (Invent. Math. doi:10.1007/s00222-011-0347-2, 2011). As an application, we compare the two associated toroidal compactifications of the moduli space of principal polarized abelian varieties: the perfect cone compactification and the 2nd Voronoi compactification.     

A Local Limit Theorem on Certain p-AdicGroups and Buildings

 We present a local limit theorem for a measure on the special linear group with entries in a local field. (Received 20 March 2000; in revised form 8 September 2000)     

Ueber das Laurotetanin

Ohne Zusammenfassung     

The Molecular Basis of the Interaction of Cyclophilin A with α‐Synuclein

Peptidylprolyl isomerases (PPIases) catalyze cis/trans isomerization of prolines. The PPIase CypA colocalizes with the Parkinson's disease (PD)‐associated protein α‐synuclein in cells and interacts with α‐synuclein oligomers. Herein, we describe atomic insights into the molecular details of the α‐synuclein/CypA interaction. NMR spectroscopy shows that CypA catalyzes isomerization of proline 128 in the C‐terminal domain of α‐synuclein. Strikingly, we reveal a second CypA‐binding site formed by the hydrophobic sequence ⁴⁷GVVHGVATVA⁵⁶, termed PreNAC. The 1.38 Å crystal structure of the CypA/PreNAC complex displays a contact between alanine 53 of α‐synuclein and glutamine 111 in the catalytic pocket of CypA. Mutation of alanine 53 to glutamate, as found in patients with early‐onset PD, weakens the interaction of α‐synuclein with CypA. Our study provides high‐resolution insights into the structure of the PD‐associated protein α‐synuclein in complex with the most abundant cellular cyclophilin.     

The Effect of Temperature and Magnetic Field on the Precipitation of Insoluble Salts of Alkaline Earth Metals

Journal of Solution Chemistry - A study of the effects induced by a weak magnetic field of about 0.4 T on the precipitation of insoluble alkaline earth carbonates is reported. Optical...     

Time domain bidirectional beam propagation method for second harmonic generation in multilayers

We propose a time domain bidirectional beam propagation method based on scattering operators for wide band pulse propagation in nonlinear multilayers. The reported numerical examples demonstrate the applicability of the algorithm for the analysis of temporal effects related to the process of second harmonic generation.     

Solving VRPTWs with Constraint Programming Based Column Generation

Constraint programming based column generation is a hybrid optimization framework recently proposed (Junker et al., 1999) that uses constraint programming to solve column generation subproblems. In the past, this framework has been used to solve scheduling problems where the associated graph is naturally acyclic and has done so very efficiently. This paper attempts to solve problems whose graph is cyclic by nature, such as routing problems, by solving the elementary shortest path problem with constraint programming. We also introduce new redundant constraints which can be useful in the general framework. The experimental results are comparable to those of the similar method in the literature (Desrochers, Desrosiers, and Solomon, 1992) but the proposed method yields a much more flexible approach.