Zinc-ion implanted and deposited titanium surfaces reduce adhesion of Streptococccus mutans

While titanium (Ti) is a commonly used dental implant material with advantageous biocompatible and mechanical properties, native Ti surfaces do not have the ability to prevent bacterial colonization. The objective of this study was to evaluate the chemical composition and bacterial adhesive properties of zinc (Zn) ion implanted and deposited Ti surfaces (Zn-PIIID-Ti) as potential dental implant materials. Surfaces of pure Ti (cp-Ti) were modified with increasing concentrations of Zn using plasma immersion ion implantation and deposition (PIIID), and elemental surface compositions were characterized by X-ray photoelectron spectrometry (XPS). To evaluate bacterial responses, Streptococcus mutans were seeded onto the modifiedTi surfaces for 48 h and subsequently observed by scanning electron microscopy. Relative numbers of bacteria on each surface were assessed by collecting the adhered bacteria, reculturing and counting colony forming units after 48 h on bacterial grade plates. Ti, oxygen and carbon elements were detected on all surfaces by XPS. Increased Zn signals were detected on Zn-PIIID-Ti surfaces, correlating with an increase of Zn-deposition time. Substantial numbers of S. mutans adhered to cp-Ti samples, whereas bacterial adhesion on Zn-PIIID-Ti surfaces signficantly decreased as the Zn concentration increased (p < 0.01). In conclusion, PIIID can successfully introduce Zn onto a Ti surface, forming a modified surface layer bearing Zn ions that consequently deter adhesion of S. mutans, a common bacterium in the oral environment.     

The evolution of electronic structure in lanthanide metal clusters: Threshold photoionization spectra of and

The photoionization spectra of Pr₂-Pr₂₁ and Ce₂-Ce₁₇ have been measured near threshold. The ionization potentials (IPs) of and vary discontinuously with size, but trend downward toward the work function of the bulk metals. In general, the IPs of cerium clusters display more variation than those of praseodymium clusters. The sudden discontinuities observed in the IPs of both and is akin to that displayed by clusters of transition metal atoms, suggesting that as in transition metal clusters, the rapid evolution in geometric structure with size is the source of these discontinuities. Received: 2 January 1998 / Accepted: 10 March 1998     

Dislocation glide through non-randomly distributed point obstacles

Abstract

Classical meso-scale models for dislocation–obstacle interactions have, by and large, assumed a random distribution of obstacles on the glide plane. While a good approximation in many situations, this does not represent materials where obstacles are clustered on the glide plane. In this work, we have investigated the statistical problem of a dislocation sampling a set of clustered point obstacles in the glide plane using a modified areal-glide model. The results of these simulations show two clear regimes. For weak obstacles, the spatial distribution does not matter and the critically resolved shear stress is found to be independent of the degree of clustering. In contrast, above a critical obstacle strength determined by the degree of clustering, the critical resolved shear strength becomes constant. It is shown that this behaviour can be explained semi-analytically by considering the probability of interaction between the dislocation line and obstacles at a given level of stress. The consequences for alloys exhibiting solute clustering are discussed.     

Efficient Algorithms for Large Scale Global Optimization: Lennard-Jones Clusters

A stochastic global optimization method is applied to the challenging problem of finding the minimum energy conformation of a cluster of identical atoms interacting through the Lennard-Jones potential. The method proposed incorporates within an already existing and quite successful method, monotonic basin hopping, a two-phase local search procedure which is capable of significantly enlarging the basin of attraction of the global optimum. The experiments reported confirm the considerable advantages of this approach, in particular for all those cases which are considered in the literature as the most challenging ones, namely 75, 98, 102 atoms. While being capable of discovering all putative global optima in the range considered, the method proposed improves by more than two orders of magnitude the speed and the percentage of success in finding the global optima of clusters of 75, 98, 102 atoms.     

Quantum chemical studies on (ZnO)n/(NiO)n heterostructured nanoclusters

The structural stability and electronic properties of (ZnO)_n, (NiO)_n, (ZnO)_n/(NiO)_n for n = (1 to 4) and 3D structures were studied using density functional theory. The geometrical optimisation of clusters implies that when the atoms in the cluster increase it leads to an increase in its stability. The stability drastically increases for the heterostructure of (ZnO)_n/(NiO)_n. The dipole moment of the clusters depends on the geometry of the cluster and it is found to be minimum for heterostructures representing more neutralised clusters. HOMO-LUMO energies, ionisation potential, electron affinity, chemical hardness, binding energies and vibrational analysis of different clusters are calculated and reported. The adsorption of CO on the different sites of nanoclusters are studied and discussed.     

Spectral Studies on Cyclic Chromotropic Acid Tetramers and Their Interaction with Metal Ions

Abstract

With comparable molar quantities, chromotropic acid reacts with compounds containing aldehyde groups -CHO e.g. with formadehyde or glyoxylic acid to form cyclic compounds with rings containing four chromotropic acid fragments — cyclotetrachromotropylene derivatives. The cyclic compounds, due to the presence of a cavity in the molecule, can play the part of host and complex smaller molecules, which has been confirmed on the basis of triethylamine by the ¹H-NMR measurements. Using spectrophotometric method the stability constant of 1:1 complex formed between Ti(IV) and cyclic compound chromotropic acid with formaldehyde has been determined - K = (9,0 ± 0,1) 10⁴.     

Atomic fraction around defects associated with nanoparticles in AlCuMg alloys

A positron annihilation spectroscopy analysis method to obtain a quantitative determination of the chemical composition around defects inside nanoparticles is presented here. This methodology is applied to AlCuMg alloys to study the rapid hardening phenomena associated with solute-vacancy aggregation. Coincidence Doppler Broadening (CDB) and lifetime spectroscopy measurements of reference samples of pure elements with and without defects were analyzed to give quantitative information of the average chemical environment around vacancies, i.e. the atomic fraction of the first neighbors of these defects, in the alloys studied. The accuracy and reproducibility of the methodology is confirmed not only by good fits to the experimental data but, in most cases, by the consistency between the mean lifetime values predicted, using the CDB estimation, and the mean lifetime values independently measured. Discrepancies in the methodology are expected when there is poor CDB contrast between elements, i.e. having similar electronic structure (for example, Al and Mg). The criterion for establishing the statistical accuracy of the separation of elements in these special cases is discussed. The methodology can be applied not only to study homogeneous materials as metallic alloys, but also to study the depth profile in thin films.     

Visible Light Photocatalytic Functional TiO2/PVDF Nanofibers for Dye Pollutant Degradation

The photodegradation of poly(vinylidene fluoride) (PVDF)/titanium oxide (TiO₂) nanofibers under visible light is described, something that has not been previously reported in the literature. Visible light photocatalytic electrospun PVDF/TiO₂ nanofiber webs with anatase TiO₂ concentration varying from 0% to 20% (0%, 1%, 3%, 5%, 10%, and 20%) are produced, and their ability to degrade a toxic pollutant, Rhodamine B (RhB), is studied. Photodegradation study using UV–vis spectroscopy on PVDF/TiO₂ nanofiber webs (with TiO₂ concentration of 20%) shows that 80% of RhB is degraded within 6 h at the wavelength of 546 nm, which clearly falls within the visible spectra. The color of RhB solvent catalyzed by PVDF/TiO₂ nanofiber webs gradually changes from red to orange, then to yellow, further to light yellow till colorless, which suggests the complete photodegradation of RhB under visible light. To estimate the rate of photodegradation, the reaction constant k is calculated. Based on the k value, PVDF/TiO₂ nanofiber webs with 20% TiO₂ concentration show the highest degradation rate compared to other PVDF/TiO₂ nanofiber webs and pure TiO₂ nanoparticles. This study proves the viability of TiO₂‐based nanofibers to have catalytic capabilities under low‐energy visible light.     

Enhanced Photocatalytic Activity of Titanium Dioxide Supported on Hexagonal Mesoporous Silica at Lower Coverage

The photocatalytic activities of titanium dioxide (TiO₂) supported on hexagonal mesoporous silica (HMS), zeolite Y (NaY) were investigated by using the photodegradation of 2,4,6-trichlorophenol (TCP) as test reactions. It was found that the photocatalytic activity of TiO₂ on HMS was much higher than that of TiO₂ powders, and that of TiO₂ on NaY. It was also found that TiO₂/HMS had maximal photocatalytic activity at a lower Ti content. The larger the pore size of HMS used as the support of TiO₂, the better the photocatalytic activity of TiO₂ for degradating of organic pollutant. These observations suggested that the supported structure was a main factor responsible for enhancement of the photocatalytic activity of TiO₂. Characterization of the samples by TEM, XRD, BET, and UV-vis diffuse reflectance spectra indicated that the structures of HMS and TiO₂ were confirmed and TiO₂ did not enter into the HMS framework and was formed as nanoparticles on all supports.     

TiO~2光催化降解苯乙酸苄酯的研究

研究了苯乙酸苄酯在各种不同条件下的光化学反应和苯乙酸苄酯在TiO~2的悬浮体系中的光化学反应,比较了这两种条件下光降解的效果。并对反应机理进行了初步探讨。