Engineering Commons^™

Exploring A New Class Of Effective Interactions In Crowded Environment, Nicoletta Gnan, Nicolas Ariel Garcia, Emanuela Zaccarelli

Association in Solution IV

Colloidal suspensions are complex fluids involving many length and time scales. In order to make progress in their investigation, we often rely on coarse-grained models giving rise to effective potentials among colloidal particles, where some degrees of freedom can be traced out. In general, these amount to implicitly include the effect of the solvent and of co-solute small particles in a description for the large colloids only. By this route, it has been shown that effective forces can deeply modify the phase diagram of colloidal particles, starting with the pioneering case of depletion interactions [1]. More recently, colloidal effective interactions …

On The Stability Of Metal Nanoparticles Synthesized By Laser Ablation In Liquids, Gerardo Palazzo, Marcella Dell’Aglio, Gabriele Valenza, Alessandro De Giacomo

Association in Solution IV

Nanoparticles (NPs) synthesized through chemical routes are stabilized by a surface layer of capping agents.

These molecules, beside avoid the infinite growth of the solid phase, impart steric or electrostatic repulsive inter- particle interactions.

The technique known as “Laser ablation in liquid” (LAL) is an alternative technique to synthesize capping agents-free metal nanoparticles.1 LAL involves focused laser pulsed irradiation of a bulk metal target in a liquid and consist of four stages . Laser-matter interaction, plasma induction, cavitation bubble formation and particle release in solution. Strikingly, LAL leads to the formation of very stable “naked” NPs that are long standing …

Conference Program, Ulf Olsson, Norman Wagner, Anand Yethiraj

Association in Solution IV

No abstract provided.

Multisequence Algorithm For Coarse-Grained Biomolecular Simulations: Exploring The Sequence-Structure Relationship Of Proteins, Adekunle Aina, Stefan Wallin

Association in Solution IV

Many biologically motivated problems naturally call for the investigation and comparison of molecular variants, such as determining the mechanisms of specificity in biomolecular interactions or the mechanisms of molecular evolution. We consider a generalized ensemble algorithm for coarse-grained simulations of biomolecules which allows the thermodynamic behavior of two or more sequences to be determined in a single multisequence run. By carrying out a random walk in sequence space, the method also enhances conformational sampling. Escape from local energy minima is accelerated by visiting sequences for which the minima are shallower or absent. We test the method on an intermediate-resolution coarse-grained …