Geodesic-Planar Conjugates: Substituted Buckybowls—Synthesis,Photoluminescence and Electrochemistry

C−C cross coupling products of bowl-shaped as-indaceno[3,2,1,8,7,6-pqrstuv]picene (Idpc) and different planar arenes and ethynyl-arenes were synthesized. Photoluminescence as well as electrochemical properties of all products were investigated and complemented by time-dependent quantum chemical calculations. UV/Vis spectroelectrochemistry investigations of the directly linked (Idpc)₂ indicated the absence of any intramolecular charge-transfer transition of intermittently formed (Idpc)₂^.−. All coupling products showed fluorescence. Ferrocene-1-yl-Idpc was structurally characterized by X-ray diffraction and is a rare example of a ferrocene-containing buckybowl exhibiting luminescence.     

Reduced charge transfer exciton recombination in organic semiconductor heterojunctions by molecular doping

We investigate the effect of molecular doping on the recombination of electrons and holes localized at conjugated-polymer-fullerene interfaces. We demonstrate that a low concentration of p-type dopant molecules (<4% weight) reduces the interfacial recombination via charge transfer excitons and results in a favored formation of separated carriers. This is observed by the ultrafast quenching of photoluminescence from charge transfer excitons and the increase in photoinduced polaron density by ~70%. The results are consistent with a reduced formation of emissive charge transfer excitons, induced by state filling of tail states.     

Asymptotics Beats Monte Carlo: The Case of Correlated Local Vol Baskets

We consider a basket of options with both positive and negative weights in the case where each asset has a smile, i.e., evolves according to its own local volatility and the driving Brownian motions are correlated. In the case of positive weights, the model has been considered in a previous work by Avellaneda, Boyer‐Olson, Busca, and Friz. We derive highly accurate analytic formulas for the prices and the implied volatilities of such baskets. The relative errors are of order 10^?4 (or better) for T=½, 10^?3 for T=2, and 10^?2 for T=10 (years). The computational time required to implement these formulas is under two seconds even in the case of a basket on 100 assets. The combination of accuracy and speed makes these formulas potentially attractive both for calibration and for pricing. In comparison, simulation‐based techniques are prohibitively slow in achieving a comparable degree of accuracy. Thus the present work opens up a new paradigm in which asymptotics may arguably be used for pricing as well as for calibration. © 2014 Wiley Periodicals, Inc.     

Chloride perovskite layer compounds of [NH3-(CH2)n-NH3]MnCl4 formula

[NH₃-(CH₂)_n-NH₃]MnCl₄ compounds with n = 2, …, 5 are chloride perovskite layer structures. The room temperature phase of members with odd numbers of carbon atoms is orthorhombic, whereas even numbers lead to monoclinic structures. Structural phase transitions were found in all compounds with n > 2. The magnetic behaviour is similar to the (C_nH_2n+1NH₃)₂MnCl₄-family.     

Analysis of oligonucleotides using coupled high performance liquid chromatography-electrospray mass spectrometry

Summary Improved HPLC and ESMS conditions have been established, allowing the separation and analysis of oligodesoxyribonucleotides by coupled HPLC-ESMS.     

Local 2PPE-yield enhancement in a defined periodic silver nanodisk array

Well-prepared periodic arrays of silver nanoparticles are investigated by means of linear and non-linear photoemission electron microscopy. The structures show homogeneous photoemission for UV excitation in the linear photoemission regime whereas striking inhomogeneities are mapped in the case of the nonlinear (2 photon) excitation using ultrashort 400 nm laser pulses. A detailed analysis enables to assign these inhomogeneities to defect induced electron momentum transfer processes only effective for the 2 photon excitation process. We propose this mechanism to be of relevance for the appearance of so-called hot spots in nonlinear photoemission as identified in other 2PPE studies in the past. Furthermore, the complementarity between all-optical studies and nonlinear photoemission studies of localized surface plasmons in nanoparticles is discussed.     

An efficient forward–reverse expectation-maximization algorithm for statistical inference in stochastic reaction networks

In this work, we present an extension of the forward–reverse representation introduced by Bayer and Schoenmakers (Annals of Applied Probability, 24(5):1994–2032, 2014) to the context of stochastic reaction networks (SRNs). We apply this stochastic representation to the computation of efficient approximations of expected values of functionals of SRN bridges, that is, SRNs conditional on their values in the extremes of given time intervals. We then employ this SRN bridge-generation technique to the statistical inference problem of approximating reaction propensities based on discretely observed data. To this end, we introduce a two-phase iterative inference method in which, during phase I, we solve a set of deterministic optimization problems where the SRNs are replaced by their reaction-rate ordinary differential equations approximation; then, during phase II, we apply the Monte Carlo version of the expectation-maximization algorithm to the phase I output. By selecting a set of overdispersed seeds as initial points in phase I, the output of parallel runs from our two-phase method is a cluster of approximate maximum likelihood estimates. Our results are supported by numerical examples.