Anisotropy resolved multidimensional emission spectroscopy (ARMES): A new tool for protein analysis

Structural analysis of proteins using the emission of intrinsic fluorophores is complicated by spectral overlap. Anisotropy resolved multidimensional emission spectroscopy (ARMES) overcame the overlap problem by the use of anisotropy, with chemometric analysis, to better resolve emission from different fluorophores. Total synchronous fluorescence scan (TSFS) provided information about all the fluorophores that contributed to emission while anisotropy provided information about the environment of each fluorophore. Here the utility of ARMES was demonstrated via study of the chemical and thermal denaturation of human serum albumin (HSA).     

Proximal-gradient algorithms for fractional programming

In this paper, we propose two proximal-gradient algorithms for fractional programming problems in real Hilbert spaces, where the numerator is a proper, convex and lower semicontinuous function and the denominator is a smooth function, either concave or convex. In the iterative schemes, we perform a proximal step with respect to the nonsmooth numerator and a gradient step with respect to the smooth denominator. The algorithm in case of a concave denominator has the particularity that it generates sequences which approach both the (global) optimal solutions set and the optimal objective value of the underlying fractional programming problem. In case of a convex denominator the numerical scheme approaches the set of critical points of the objective function, provided the latter satisfies the Kurdyka-?ojasiewicz property.     

Vectorial penalization for generalized functional constrained problems

In this paper we use a double penalization procedure in order to reduce a set-valued optimization problem with functional constraints to an unconstrained one. The penalization results are given in several cases: for weak and strong solutions, in global and local settings, and considering two kinds of epigraphical mappings of the set-valued map that defines the constraints. Then necessary and sufficient conditions are obtained separately in terms of Bouligand derivatives of the objective and constraint mappings.     

On Some Methods to Derive Necessary and Sufficient Optimality Conditions in Vector Optimization

The aim of this paper is to address new approaches, in separate ways, to necessary and, respectively, sufficient optimality conditions in constrained vector optimization. In this respect, for the necessary optimality conditions that we derive, we use a kind of vectorial penalization technique, while for the sufficient optimality conditions we make use of an appropriate scalarization method. In both cases, the approaches couple a basic technique (of penalization or scalarization, respectively) with several results in variational analysis and optimization obtained by the authors in the last years. These combinations allow us to arrive to optimality conditions which are, in terms of assumptions made, new.     

A fluorescence anisotropy method for measuring protein concentration in complex cell culture media

The rapid, quantitative analysis of the complex cell culture media used in biopharmaceutical manufacturing is of critical importance. Requirements for cell culture media composition profiling, or changes in specific analyte concentrations (e.g. amino acids in the media or product protein in the bioprocess broth) often necessitate the use of complicated analytical methods and extensive sample handling. Rapid spectroscopic methods like multi-dimensional fluorescence (MDF) spectroscopy have been successfully applied for the routine determination of compositional changes in cell culture media and bioprocess broths. Quantifying macromolecules in cell culture media is a specific challenge as there is a need to implement measurements rapidly on the prepared media. However, the use of standard fluorescence spectroscopy is complicated by the emission overlap from many media components. Here, we demonstrate how combining anisotropy measurements with standard total synchronous fluorescence spectroscopy (TSFS) provides a rapid, accurate quantitation method for cell culture media. Anisotropy provides emission resolution between large and small fluorophores while TSFS provides a robust measurement space. Model cell culture media was prepared using yeastolate (2.5 mg mL^–1) spiked with bovine serum albumin (0 to 5 mg mL^–1). Using this method, protein emission is clearly discriminated from background yeastolate emission, allowing for accurate bovine serum albumin (BSA) quantification over a 0.1 to 4.0 mg mL^–1range with a limit of detection (LOD) of 13.8 μg mL^–1.     

On the convergence rate improvement of a primal-dual splitting algorithm for solving monotone inclusion problems

We present two modified versions of the primal-dual splitting algorithm relying on forward–backward splitting proposed in V\(\tilde{\mathrm{u}}\) (Adv Comput Math 38(3):667–681, 2013) for solving monotone inclusion problems. Under strong monotonicity assumptions for some of the operators involved we obtain for the sequences of iterates that approach the solution orders of convergence of \(\mathcal{{O}}(\frac{1}{n})\) and \(\mathcal{{O}}(\omega ^n)\), for \(\omega \in (0,1)\), respectively. The investigated primal-dual algorithms are fully decomposable, in the sense that the operators are processed individually at each iteration. We also discuss the modified algorithms in the context of convex optimization problems and present numerical experiments in image processing and pattern recognition in cluster analysis.     

New Method for Theoretical Spinodals Corresponding to Ternary Solutions with an Amphiphile Component

A new method is presented to obtain a theoretical spinodal for ternary solutions with an amphiphile component. This method uses a generalized Wheeler-Widom model representing the ternary solution, and considers local fitting conditions with the experimental binodal, imposing that the theoretical binodal must pass through a point on the experimental binodal, and also that the slope of the theoretical binodal has to be as close as possible to the slope of the representative experimental binodal. Using the previously specified fitting conditions, the corresponding spinodal is derived. The results are in agreement with an older method of local fitting between the generalized Wheeler-Widom model and the experimental data, where the fitting condition implied the coincidence of the theoretical tie-line with the experimental tie-line.     

Green light radiation effects on free radicals inhibition in cellular and chemical systems

Free radicals generation is inhibited through green light (GL) irradiation in cellular systems and in chemical reactions. Standard melanocyte cultures were UV-irradiated and the induced cellular reactive oxygen species (ROS) were quantified by the fluorescence technique. The same cell cultures, previously protected by a 24h GL exposure, displayed a significantly lower ROS production. A simple chemical reaction is subsequently chosen, in which the production of free radicals is well defined. Paraffin wax and mineral oil were GL irradiated during thermal degradation and the oxidation products checked by chemiluminescence [CL] and Fourier transform infrared spectra [FT-IR]. The same clear inhibition of the radical oxidation of alkanes is recorded. A quantum chemistry modeling of these results is performed and a mechanism involving a new type of Rydberg macromolecular systems with implications for biology and medicine is suggested.     

Two positive nontrivial solutions for a class of semilinear elliptic variational systems

We obtain existence and localization results of positive nontrivial solutions for a class of semilinear elliptic variational systems. The proof is based on variants of Schechter's localized critical point theorems for Hilbert spaces not identified to their duals and on the technique of inverse-positive matrices. The Leray-Schauder boundary condition is also involved.