GALBIS FUSTER , Elsa

Aqua ions, of general formula [M(H2O)n ] m+, are the most common structures adopted by metal cations, Mm+, when chemical conditions inhibit the formation of hydrolyzed and polymerized derivatives. 1 The implicit net charge, m+, and the polar and polarizable character of water lead to electrostatic effects so strong that the perturbation exerted...

We present a matrix functional form to fit the nearly degenerated potential energy surface of the H2O-OH molecular complex. The functional form is based on second order perturbation theory, which allows us to define two diabatic states coupled together in the field of the surrounding water molecules. The fit reproduces faithfully the fine...

Ionic coupling of bacterial poly(γ-glutamic acid) (PGGA) with alkyltrimethylphosphonium surfactants is reported to render comb-like PGGA complexes with a biphasic-layered structure displaying periodicity at the nanoscopic scale. In this work, nanocomposites made of PGGA and montmorillonite, and covering a wide variety of compositions, are...

The present work deals with the synthesis of micro-structured biomaterials based on chitosan (CTS) for their applications as biocompatible carriers of drugs and bioactive compounds. Twelve dispersions were prepared by means of functional cross-linking with tricarballylic acid (TCA); they were characterized by Fourier transform infrared...

Micelles are excellent devices to be used as controlled drug delivery systems since they exhibit the ability to protect the drug or encapsulated substance from the routes of degradation until they reach the site of action: moreover, they can pass through biological barriers and reach intracellular compartments. In addition, when a drug is...

Ministerio de Economía y Competitividad MAT2012- 38044-C03-01

The potential energy curves of the X, A, and B states of alkali-rare gas diatomic molecules, MKr and MXe, are investigated for M = Li, Na, K. The molecular spin-orbit coefficients a(R) = 〈2Π 1/2|ĤSO|2Π1/2〉 and b(R) = 〈2Π-1/2|ĤSO| 2Σ1/2〉 are calculated as a function the interatomic distance R. We show that a(R) increases and b(R) decreases as R...

The efficient, controlled polymerization of a batch of new poly(hydroxyethyl methacrylate-co-furfuryl methacrylate)s, [poly(HEMA-co-FMA)], of various compositions was achieved using atom transfer radical polymerization (ATRP) in methanol. When the FMA composition did not exceed the 10 mol% ratio, the evolution of molecular weight with...

In recent years, the preparation of valuable drug delivery systems (DDS) from self-assembled amphiphilic copolymers has attracted much attention since these nanomaterials provide new opportunities to solve problems such as the lack of solubility in water of lipophilic drugs, improve their bioavailability, prolong their circulation time and...

This work proposes a new methodology to build interaction potentials between a highly charged metal cation and water molecules. These potentials, which can be used in classical computer simu- lations, have been fitted to reproduce quantum mechanical interaction energies (MP2 and BP86) for a wide range of [M(H2O)n]m+(H2O)l clusters (n going from...

The present work describes the preparation of stable organic nanoparticles with potential use as "smart" drug delivery systems capable of encapsulating lipophilic molecules to exert their therapeutic action under the appropriate stimulus. A well-defined self-assembly hydrophilichydrophobic di-block copolymer has been synthesized via atom...

Micelles are good devices for use as controlled drug delivery systems because they exhibit the ability to protect the encapsulated substance from the routes of degradation until they reach the site of action. The present work assesses loading kinetics of a hydrophobic drug, pilocarpine, in polymeric micellar nanoparticles (NPs) and its...

The angular distribution function (ADF) associated with the oxygen-metal ion-oxygen angle (OMO) of several trivalent lanthanoid and actinoid aquaions has been used to identify the most probable coordination geometry of these aquaions in aqueous solutions. The ADFs extracted from the molecular dynamics trajectories have been compared with...

Metal-free catalysis was successfully applied to polymerize ω-pentadecalactone (PDL) by ring-opening polymerization (ROP) using several amino-ended initiators, namely hexylamine, allylamine and O,O′-bis(3-aminopropyl)diethylene glycol. This polymerization method was suitable to prepare telechelic polyesters carrying functional-end groups. The...

Iminosugars are carbohydrate mimetics that constitute the main group of oligosaccharide processing enzyme inhibitors. They play an important role in cell-cell recognition processes, thereby presenting a wide range of potential therapeutic applications. In this work, we present the first examples of glycopolymers containing five-membered...

This study investigates the impact of dual ionic and covalent cross-links (ion-XrL and cov-XrL) on the properties of chitosan-based (CTS) hydrogels as eco-friendly drug delivery systems (DDS) for the model drug diclofenac sodium (DCNa). Citric acid and a diiodo-trehalose derivative (ITrh) were the chosen ionic and covalent cross-linker,...

A simple redox amphiphilic tri-block copolyurethane capable of assembling in the form of polymersome has been easily synthesized. Thus, the hydrophobic core is constituted by a central block containing multiple disulfide linkages, and the hydrophilic segments are formed by poly(ethylene glycol) methyl ether (mPEG2000). The disulfide-containing...

In the present work, we demonstrate the preparation of chitosan-based composites as vehicles of the natural occurring multi-drug resveratrol (RES). Such systems are endowed with potential therapeutic effects on inflammatory bowel diseases (IBD), such as Crohn's disease (CD) and ulcerative colitis, through the sustained colonic release of RES...

The hexacyanometallate family is well known in transition metal chemistry because the remarkable electronic delocalization along the metal-cyano-metal bond can be tuned in order to design systems that undergo a reversible and controlled change of their physical properties. We have been working for few years on the description of the molecular...