Tailoring a Dress to Single Protein Molecules: Proteins Can Do It Themselves through Localized Photo-Polymerization and Molecular Imprinting

Molecularly imprinted polymer nanoparticles (MIP NPs) are antibody-like recognition materials prepared by a template-assisted synthesis. MIP NPs able to target biomolecules, like proteins, are under the spotlight for their great potential in medicine, but efficiently imprinting biological templates is still very challenging. Here we propose generating a molecular imprint in single NPs, by photochemically initiating the polymerization from individual protein templates. In this way, each protein molecule tailors itself its own “polymeric dress”. For this, the template protein is covalently coupled with a photoinitiator, Eosin Y. Irradiated with light at 533 nm, the Eosin moiety acts as an antenna and transfers energy to a co-initiator (an amine), which generates a radical and initiates polymerization. As a result, a polymer network is forming only around the very template molecule, producing cross-linked NPs of 50 nm, with single binding sites showing high affinity (K_D 10⁻⁹ m ) for their biological target, and selectivity over other proteins.     

On the Shape Sensitivity of the First Dirichlet Eigenvalue for Two-Phase Problems

We consider a two-phase problem in thermal conductivity: inclusions filled with a material of conductivity σ ₁ are layered in a body of conductivity σ ₂. We address the shape sensitivity of the first eigenvalue associated with Dirichlet boundary conditions when both the boundaries of the inclusions and the body can be modified. We prove a differentiability result and provide the expressions of the first and second order derivatives. We apply the results to the optimal design of an insulated body. We prove the stability of the optimal design thanks to a second order analysis. We also continue the study of an extremal eigenvalue problem for a two-phase conductor in a ball initiated by Conca et al. (Appl. Math. Optim. 60(2):173–184, 2009) and pursued in Conca et al. (CANUM 2008, ESAIM Proc., vol. 27, pp.  311–321, EDP Sci., Les Ulis, 2009).     

Chemical Antibody Mimics Inhibit Cadherin-Mediated Cell–Cell Adhesion: A Promising Strategy for Cancer Therapy

One of the most promising strategies to treat cancer is the use of therapeutic antibodies that disrupt cell–cell adhesion mediated by dysregulated cadherins. The principal site where cell–cell adhesion occurs encompasses Trp2 found at the N-terminal region of the protein. Herein, we employed the naturally exposed highly conserved peptide Asp1-Trp2-Val3-Ile4-Pro5-Pro6-Ile7, as epitope to prepare molecularly imprinted polymer nanoparticles (MIP-NPs) to recognize cadherins. Since MIP-NPs target the site responsible for adhesion, they were more potent than commercially available therapeutic antibodies for inhibiting cell–cell adhesion in cell aggregation assays, and for completely disrupting three-dimensional tumor spheroids as well as inhibiting invasion of HeLa cells. These biocompatible supramolecular anti-adhesives may potentially be used as immunotherapeutic or sensitizing agents to enhance antitumor effects of chemotherapy.     

Removal of Cyanide from Aqueous Solutions by Adsorption on Activated Carbon Prepared from Lignocellulosic By-products

Cyanide is considered one of the most dangerous compounds for the environment. They are discharged by various industries: chemical and metallurgical processes (extraction of gold and silver) and food industries. Adsorption is among the most used processes for elimination of cyanides particularly for the low concentrations. In this work, the cyanide removal is carried out by adsorption onto activated carbons prepared from olive stones and coffee ground. So we can promote this by-product as an inexpensive adsorbent. The prepared activated carbons are characterized by scanning electron micrograph and by determination of the physicochemical properties and specific surface area. All the adsorption experiments were performed in batch mode on synthetic water cyanide (KCN) at pH 10.8–11.0 to avoid volatilization of very toxic HCN. To describe the adsorption kinetics, the kinetic models of pseudo-first-order, pseudo-second-order, and intra-particle diffusion were applied. The experimental equilibrium data for adsorption of free cyanide were analyzed by the Langmuir, Freundlich, and Temkin isotherm models.     

Electrochemistry reveals archaeological materials

The characterization of materials constituting cultural artefacts is a challenging step in their conservation, due to the object’s uniqueness and the reduced number of conservation institutes able to supply non-destructive analysis. We propose an alternative analytical tool, which combines accessibility (low cost and portable) and high sensitivity, based on electrochemical linear sweep voltammetry (LSV) with paraffin impregnated graphite electrode (PIGE). To investigate the composition of “white alloys” that certainly have been used as decoration on copper-based Roman fibulae, sampling was done very locally by gently rubbing the selected areas with the PIGE. LSV results evidence the presence of silver, lead, and tin, supporting the argument provided by typological analysis that these metals were used for decoration.     

Evidential reasoning in large partially ordered sets

The Dempster-Shafer theory of belief functions has proved to be a powerful formalism for uncertain reasoning. However, belief functions on a finite frame of discernment Ω are usually defined in the power set 2^Ω, resulting in exponential complexity of the operations involved in this framework, such as combination rules. When Ω is linearly ordered, a usual trick is to work only with intervals, which drastically reduces the complexity of calculations. In this paper, we show that this trick can be extrapolated to frames endowed with an arbitrary lattice structure, not necessarily a linear order. This principle makes it possible to apply the Dempster-Shafer framework to very large frames such as the power set, the set of partitions, or the set of preorders of a finite set. Applications to multi-label classification, ensemble clustering and preference aggregation are demonstrated.     

A memetic algorithm for the team orienteering problem

The team orienteering problem (TOP) is a generalization of the orienteering problem. A limited number of vehicles is available to visit customers from a potential set. Each vehicle has a predefined running-time limit, and each customer has a fixed associated profit. The aim of the TOP is to maximize the total collected profit. In this paper we propose a simple hybrid genetic algorithm using new algorithms dedicated to the specific scope of the TOP: an Optimal Split procedure for chromosome evaluation and local search techniques for mutation. We have called this hybrid method a memetic algorithm for the TOP. Computational experiments conducted on standard benchmark instances clearly show our method to be highly competitive with existing ones, yielding new improved solutions in at least 5 instances.     

Hybrid Flow-Shop: a Memetic Algorithm Using Constraint-Based Scheduling for Efficient Search

The paper considers the hybrid flow-shop scheduling problem with multiprocessor tasks. Motivated by the computational complexity of the problem, we propose a memetic algorithm for this problem in the paper. We first describe the implementation details of a genetic algorithm, which is used in the memetic algorithm. We then propose a constraint programming based branch-and-bound algorithm to be employed as the local search engine of the memetic algorithm. Next, we present the new memetic algorithm. We lastly explain the computational experiments carried out to evaluate the performance of three algorithms (genetic algorithm, constraint programming based branch-and-bound algorithm, and memetic algorithm) in terms of both the quality of the solutions produced and the efficiency. These results demonstrate that the memetic algorithm produces better quality solutions and that it is very efficient.     

Synthesis and applications of copillar[5]arene dithiols

Abstract

A novel copillar[4+1]arene incorporating alkylthiol substituents was synthesised in three steps and structurally characterised as the first example of a pillar[n]arene to incorporate two terminal thiols on the same aromatic ring. The macrocycle was attached to gold electrodes through a standard dipping technique. Cyclic voltammetry demonstrated selectivity for Li⁺ over other alkali metal cations. The copillar[4+1]arene was also used as a capping agent in the preparation of 3 nm gold nanoparticles.