Cyclotriphosphazene,a scaffold for 19F MRI contrast agents

A cyclotriphosphazene substituted with six 3,5-bis(trifluoromethyl) benzyloxy units was designed as a novel ¹⁹F MRI contrast agent. The resulting molecule has 36 magnetically equivalent fluorine atoms and exhibited suitable MRI properties with high imaging sensitivity, confirming the proof-of-concept as a convenient scaffold for the production of new ¹⁹F MRI contrasts agents.     

Immobilization of η-cyclopentadienyltris(dimethylamido)zirconium polymerization catalysts on a chlorosilane- and HMDS-modified mesoporous silica surface: a new concept for supporting metallocene amides towards heterogeneous single-site-catalysts

The modification of a mesoporous silica surface with Si(Ind)(CH₃)₂Cl and the immobilization of CpZr(NMe₂)₃ on this surface was studied via IR-spectroscopy. To reduce side reactions, the indenyl-modified silica was reacted with hexamethyldisilazane (HMDS) under IR-control before the CpZr(NMe₂)₃-immobilization. The role of the hydroxyl group protection with HMDS is discussed. The surface modifications have been repeated via Schlenk technique at the same conditions and the surface modifications were studied with ¹³C CP MAS–NMR, ¹H MAS–NMR, elemental-, SEM- and BET-analysis. The surface species of the resulting catalysts are discussed. The precatalysts have been treated with methylaluminoxane (MAO) (Al:Zr (mol:mol)=500:1) and the resulting Zr contents (leaching-effect) are discussed. All catalysts have been tested in ethylene and propylene polymerization.     

A dynamic gradient approach to Pareto optimization with nonsmooth convex objective functions

In a general Hilbert framework, we consider continuous gradient-like dynamical systems for constrained multiobjective optimization involving nonsmooth convex objective functions. Based on the Yosida regularization of the subdifferential operators involved in the system, we obtain the existence of strong global trajectories. We prove a descent property for each objective function, and the convergence of trajectories to weak Pareto minima. This approach provides a dynamical endogenous weighting of the objective functions, a key property for applications in cooperative games, inverse problems, and numerical multiobjective optimization.     

A bound on the Wasserstein-2 distance between linear combinations of independent random variables

We provide a bound on a distance between finitely supported elements and general elements of the unit sphere of ${?}^2\left({\mathbb{N}}^1\right)$. We use this bound to estimate the Wasserstein-2 distance between random variables represented by linear combinations of independent random variables. Our results are expressed in terms of a discrepancy measure related to Nourdin–Peccati’s Malliavin–Stein method. The main application is towards the computation of quantitative rates of convergence to elements of the second Wiener chaos. In particular, we explicit these rates for non-central asymptotic of sequences of quadratic forms and the behavior of the generalized Rosenblatt process at extreme critical exponent.     

Fluctuations in the homogenization of semilinear equations with random potentials

We study the stochastic homogenization and obtain a random fluctuation theory for semilinear elliptic equations with a rapidly varying random potential. To first order, the effective potential is the average potential and the nonlinearity is not affected by the randomness. We then study the limiting distribution of the properly scaled homogenization error (random fluctuations) in the space of square integrable functions, and prove that the limit is a Gaussian distribution characterized by homogenized solution, the Green’s function of the linearized equation around the homogenized solution, and by the integral of the correlation function of the random potential. These results enlarge the scope of the framework that we have developed for linear equations to the class of semilinear equations.     

Large deviation theory for a homogenized and “corrected” elliptic ODE

We study a one-dimensional elliptic problem with highly oscillatory random diffusion coefficient. We derive a homogenized solution and a so-called Gaussian corrector. We also prove a “pointwise” large deviation principle (LDP) for the full solution and approximate this LDP with a more tractable form. Applications to uncertainty quantification are considered.     

On solutions of second and fourth order elliptic equations with power-type nonlinearities

We study second and fourth order semilinear elliptic equations with a power-type nonlinearity depending on a power p$p$ and a parameter λ>0$\lambda >0$. For both equations we consider Dirichlet boundary conditions in the unit ball B⊂Rⁿ$B\subset {\mathbb{R}}^n$. Regularity of solutions strictly depends on the power p$p$ and the parameter λ$\lambda$. We are particularly interested in the radial solutions of these two problems and many of our proofs are based on an ordinary differential equation approach.