Search results for " diffusion"
showing 10 items of 521 documents
Evaluation of the antibacterial activity of a new ozonized olive oil against oral and periodontal pathogens.
2018
Background In the present study, the antimicrobial properties of a new ozonized olive oil (O-zone gel) against oral and periodontal pathogens will be evaluated and compared with that of common CHX-based agents. Material and methods O-zone gel was compared with two agents based on chlorhexidine digluconate (CHX): Corsodyl Dental Gel and Plak Gel. A. actinomycetemcomitans, P. intermedia and S. mutans, were selected and the antibacterial capability of the compounds was tested by using direct contact agar diffusion test (DCT) and minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) evaluations. Differences between specific means were analyzed by a one-way analysis…
HEXIM1 Diffusion in the Nucleus Is Regulated by Its Interactions with Both 7SK and P-TEFb
2019
International audience; How nuclear proteins diffuse and find their targets remains a key question in the transcription field. Dynamic proteins in the nucleus are classically subdiffusive and undergo anomalous diffusion, yet the underlying physical mechanisms are still debated. In this study, we explore the contribution of interactions to the generation of anomalous diffusion by the means of fluorescence spectroscopy and simulation. Using interaction-deficient mutants, our study indicates that HEXIM1 interactions with both 7SK RNA and positive transcription elongation factor b are critical for HEXIM1 subdiffusion and thus provides evidence of the effects of protein-RNA interaction on molecu…
Dynamical Properties of Self-Assembled Surfactant-Based Mixtures: Triggering of One-Dimensional Anomalous Diffusion in Bis(2-ethylhexyl)phosphoric Ac…
2013
The dynamic features of bis(2-ethylhexyl)phosphoric acid (HDEHP)/n-octylamine (NOA) mixtures have been investigated as a function of the NOA mole fraction and temperature by (1)H NMR spectroscopy and rheometry. All data consistently suggest a composition-induced glass-forming behavior. The microscopic factors responsible for this behavior have been highlighted and have been explained in terms of driving forces given by HDEHP-to-NOA proton transfer, the tendency of the resulting species to establish H bonds and to spatially segregate the alkyl chains. The study sheds light on the molecular mechanism responsible for the peculiar behavior of transport properties in such systems and furnishes b…
Drying of shrinking cylinder-shaped bodies
1998
Abstract A mathematical model has been developed for the prediction of sample temperature, average moisture and moisture distribution in a cylinder-shaped solid during the drying process. The effect of shrinkage was taken into account. The macroscopic heat balance and the microscopic mass balance combined with Fick's law were simultaneously solved using the Runge-Kutta-Merson method and a numerical finite difference method. The effective diffusion coefficient was expressed as a function of sample temperature and local moisture content. Using an experimental drying curve determined at 90 °C, the diffusional equation was identified for broccoli stems, and was used to predict the average and l…
Natural micro-scale heterogeneity induced solute and nanoparticle retardation in fractured crystalline rock.
2011
Abstract We studied tracer (Tritiated Water (HTO); Tritium replaces one of the stable hydrogen atoms in the H 2 O molecule) and nanoparticle (quantum dots (QD)) transport by means of column migration experiments and comparison to 3D CFD modeling. Concerning the modeling approach, a natural single fracture was scanned using micro computed tomography (μCT) serving as direct input for the model generation. The 3D simulation does not incorporate any chemical processes besides the molecular diffusion coefficient solely reflecting the impact of fracture heterogeneity on mass (solute and nanoparticles) transport. Complex fluid velocity distributions (flow channeling and flowpath heterogeneity) evo…
Surface-induced order and diffusion in 5CB liquid crystal confined to porous glass.
2001
Liquid crystals confined into small cavities are known to have a weak orientational order even above the nematic-isotropic transition temperature. The surface-induced order and molecular dynamics in this temperature range are studied with the aid of deuteron NMR spectra, spin relaxation times T(1) and T(2,) proton dipolar-correlation effect, and direct measurements of the effective diffusion coefficient for the liquid crystal 5CB confined to controlled-pore glasses. Our results show that an arrangement of molecules parallel to the wall is induced by local molecular interactions between the liquid crystal and solid, resulting in a weak and temperature independent surface order parameter, S(0…
Controlling the molecular diffusion in MOFs with the acidity of monocarboxylate modulators.
2021
The catalytic performance of metal-organic frameworks (MOFs) is related to their physicochemical properties, such as particle size, defect-chemistry and porosity, which synthetic control can be potentially achieved by coordination modulation. By combining PXRD, 1HNMR, FT-IR, N2 uptake measurements we have found insights that the different types of defects (missing linker or missing clusters consequence of the spatial distribution of missing linkers, and the combination of both) could be controlled by the type of modulator employed. We show that the molar percent of defects, either as missing linkers or as part of missing cluster defects, is related to the modulator’s acidity and subse…
Nano-demixing as a novel strategy for magnetic field responsive systems: the case of dibutyl phosphate/bis(2-ethylhexyl)amine systems
2016
Pure surfactant liquids and their binary mixtures, owing to the amphiphilic nature of the molecules involved, can exhibit nano-segregation and peculiar transport properties. The possibility of opportunely choosing the amphiphiles should lead to the formation of anisotropic aggregates that can be oriented by an external factor like a magnetic field. In this case some properties, like optical birefringence, can be induced by the use of a magnetic field. Dynamic features of dibutyl phosphate (DBP)/bis(2-ethylhexyl)amine (BEEA) mixtures have been investigated by FT-IR, NMR, rheometry, Brillouin scattering, and magnetically-induced birefringence measurements as a function of the BEEA mole fracti…
Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics.
2011
A methodology for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simulations is presented and validated for acetone-methanol and acetone-tetrachloromethane liquid mixtures. Fick diffusivities are obtained from Maxwell-Stefan (MS) diffusivities and the so-called thermodynamic factor. MS diffusivities describe the friction between different components, while the thermodynamic factor is the concentration derivative of the activity describing the deviation from ideal mixing behavior. It is important to note that all mutual diffusion experiments measure Fick diffusion coefficients, while molecular simulation provides MS diffusivities. The required thermodynamic fa…
Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory
1996
We present the results of a molecular dynamics computer simulation of a supercooled binary Lennard-Jones mixture. By investigating the temperature dependence of the diffusion constant and of the intermediate scattering function, we show that the ideal version of the mode-coupling theory of the glass transition is able to give a good qualitative description of the dynamics of this system. Using the partial structure factors, as determined from the simulation, as input, we solve the mode-coupling equations in the long time limit. From the comparison of the prediction of the theory for the critical temperature, the exponent parameter, the wave-vector dependence of the nonergodicity parameters …