Search results for "Colloid"
showing 10 items of 1288 documents
Nanomolar pyrophosphate detection in water and in a self-assembled hydrogel of a simple terpyridine-Zn2+ complex.
2014
A simple terpyridine-Zn(II) complex is shown to act as an efficient and highly selective fluorescent sensor for pyrophosphate in water at physiological pH. The sensor complex showed an unprecedented fluorescence response (∼500 fold increase) and a record nanomolar sensitivity (detectable fluorescent response at 20 nM and LOD ∼ 0.8 nM). It has successfully been used to stain and record confocal fluorescence microscopy images of HeLa cells. Moreover, the complex was found to self-assemble into a hydrogel which was subsequently used to coat disposable paper strips for easy, low-cost detection of pyrophosphate.
Quality control of gold nanoparticles as pharmaceutical ingredients
2019
Abstract Nanoparticles are being developed for a wide range of medical applications such as, controlled release, drug delivery systems or imagery, theranostics, implants…. For the moment, there is no legal definition of nanoparticles or nanomaterials for therapeutic use. The specific case of gold nanoparticles is not an exception: their current definition as nanoparticle material does not correspond to classic pharmaceutical ingredients as described in Pharmacopoeias. In this study, more than 30 different batches of citrate stabilized gold nanoparticles (AuNP) were synthesized and analyzed thanks to both classical approaches (UV–Vis spectrophotometry, dynamic light scattering coupled or not…
A New Monte Carlo Method for the Titration of Molecules and Minerals
2007
The charge state of molecules and solid/liquid interfaces is of paramount importance in the understanding of the reactivity and the physico-chemical properties of many systems. In this work, we porpose a new Monte Carlo method in the grand canonical ensemble using the primitive model, which allows us to simulate the titration behavior of macromolecules or solids at constant pH. The method is applied to the charging process of colloidal silica particles dispersed in a sodium salt solution for various concentrations and calcium silicate hydrate nano-particles in a calcium hydroxide solution. An excellent agreement is found between the experimental and simulated results.
Monte Carlo simulation of a lattice model for ternary polymer mixtures
1988
Monte Carlo studies of symmetrical polymer mixturesAB, modelled by selfavoiding walks withNA=NB=N steps on a simple cubic lattice, are presented for arbitrary concentrations of vacanciesφv in the range fromφv=0.2 toφv=0.8 and chain lengthsN≤64. We obtained the phase diagrams and the equation of state for three choices of the ratio ∈ / ∈AB (∈ being the energy between monomers of the same kind, ∈AB being the energy between different monomers). Flory-Huggins theory provides only a qualitative understanding of these results. If the equation of state is “fitted” with an effective Flory-Huggins parameterχeff, the latter turns out to be strongly dependent on both concentration and temperature.
On the applicability of density dependent effective interactions in cluster-forming systems
2016
We systematically studied the validity and transferability of effective, coarse-grained, pair potentials in ultrasoft colloidal systems. We focused on amphiphilic dendrimers, macromolecules which can aggregate into clusters of overlapping particles to minimize the contact area with the surrounding (implicit) solvent. Simulations were performed for both the monomeric and coarse-grained model in the liquid phase at densities ranging from infinite dilution up to values close to the freezing point. For every state point, each macromolecule was mapped onto a single interaction site and the effective pair potential was computed using a coarse-graining technique based on force-matching. We found e…
Shear induced deformation of polystyrene coils in dilute solution from small angle neutron scattering
1985
The deformation of the overall conformation of polystyrene,Mw=280000 g/ mole in dilute solution in a constant shear gradient has been investigated by small angle neutron scattering (SANS).
Molecular Basis of DNA Photodimerization: Intrinsic Production of Cyclobutane Cytosine Dimers
2008
Based on CASPT2 results, the present contribution establishes for the first time that cytosine photodimer formation (CC) is mediated along the triplet and singlet manifold by a singlet-triplet crossing, (T1/S0)X, and by a conical intersection, (S1/S0)CI, respectively. The former can be accessed in a barrierless way from a great variety of photochemical avenues and exhibits a covalent single bond between the ethene C6-C6' carbon atoms of each monomer. The efficiency of the stepwise triplet mechanism, however, would be modulated by the effectiveness of the intersystem crossing mechanism. The results provide the grounds for the understanding of the potential photogenotoxicity of endogenous and…
Monte Carlo simulation of block copolymers
2000
Monte Carlo simulations deal with crudely simplified but well-defined models and have the advantage that they treat the statistical thermodynamics of the considered model exactly (apart from statistical errors and problems due to finite size effects). Therefore, these simulations are well suited to test various approximate theories of block copolymer ordering, e.g. the self-consistent field theory. Recent examples of this approach include the study of block copolymer ordering at melt surfaces and confinement effects in thin films, adsorption of block copolymers at interfaces of unmixed homopolymer blends, the phase behavior of ternary mixtures of two homopolymers and their block copolymer, …
Effects of a macroscopic fixed charge inhomogeneity on some membrane transport properties
1991
Abstract The effects that a macroscopic fixed charge inhomogeneity exerts on some membrane transport properties have been theoretically analyzed. To this end, we introduce two particular inhomogeneous fixed charge distributions on the basis of previous experimental work, and the transport equations are assumed to be the Nernst-Planck equations. It is found that a macroscopic redistribution of a constant quantity of fixed charge groups can modify the observed transport properties, the two inhomogeneous membranes here considered exhibiting permselectivities different from those of otherwise identical homogeneous membranes. Although the main emphasis of the study is on the basic aspects of tra…
Quantum Chemical-Based Protocol for the Rational Design of Covalent Inhibitors.
2016
We propose a structure-based protocol for the development of customized covalent inhibitors. Starting from a known inhibitor, in the first and second steps appropriate substituents of the warhead are selected on the basis of quantum mechanical (QM) computations and hybrid approaches combining QM with molecular mechanics (QM/MM). In the third step the recognition unit is optimized using docking approaches for the noncovalent complex. These predictions are finally verified by QM/MM or molecular dynamic simulations. The applicability of our approach is successfully demonstrated by the design of reversible covalent vinylsulfone-based inhibitors for rhodesain. The examples show that our approach…