Zirconias, the strongest of the dental ceramics, are increasingly being fabricated in monolithic form for a range of clinical applications. Y-TZP (yttria-stabilized tetragonal zirconia polycrystal) is the most widely used variant. However, current Y-TZP ceramics on the market lack the aesthetics of competitive glass-ceramics and are therefore somewhat restricted in the anterior region. This article reviews the progressive development of currently available and next-generation zirconias, representing a concerted drive toward greater translucency while preserving adequate strength and toughness. Limitations of efforts directed toward this end are examined, such as reducing the content of light-scattering alumina sintering aid or incorporating a component of optically isotropic cubic phase into the tetragonal structure. The latest fabrication routes based on refined starting powders and dopants, with innovative sintering protocols and associated surface treatments, are described. The need to understand the several, often complex, mechanisms of long-term failure in relation to routine laboratory test data is presented as a vital step in bridging the gaps among material scientist, dental manufacturer, and clinical provider.

The clinical success of modern dental ceramics depends on an array of factors, ranging from initial physical properties of the material itself, to the fabrication and clinical procedures that inevitably damage these brittle materials, and the oral environment. Understanding the influence of these factors on clinical performance has engaged the dental, ceramics, and engineering communities alike. The objective of this review is to first summarize clinical, experimental, and analytic results reported in the recent literature. Additionally, it seeks to address how this new information adds insight into predictive test procedures and reveals challenges for future improvements.

Concern has been expressed that carbon dioxide (CO 2 ) leaking from deep geological storage could adversely impact water quality in overlying potable aquifers by mobilizing hazardous trace elements. In this article, we present a systematic evaluation of the possible water quality changes in response to CO 2 intrusion into aquifers currently used as sources of potable water in the United States. The evaluation was done in three parts. First, we developed a comprehensive geochemical model of aquifers throughout the United States, evaluating the initial aqueous abundances, distributions, and modes of occurrence of selected hazardous trace elements in a large number of potable groundwater quality analyses from the National Water Information System (NWIS) database. For each analysis, we calculated the saturation indices (SIs) of several minerals containing these trace elements. The minerals were initially selected through literature surveys to establish whether field evidence supported their postulated presence in potable water aquifers. Mineral assemblages meeting the criterion of thermodynamic saturation were assumed to control the aqueous concentrations of the hazardous elements at initial system state as well as at elevated CO 2 concentrations caused by the ingress of leaking CO 2 . In the second step, to determine those hazardous trace elements of greatest concern in the case of CO 2 leakage, we conducted thermodynamic calculations to predict the impact of increasing CO 2 partial pressures on the solubilities of the identified trace element mineral hosts. Under reducing conditions characteristic of many groundwaters, the trace elements of greatest concern are arsenic (As) and lead (Pb). In the final step, a series of reactive-transport simulations was performed to investigate the chemical evolution of aqueous As and Pb after the intrusion of CO 2 from a storage reservoir into a shallow confined groundwater resource. Results from the reactive-transport model suggest that a significant increase of aqueous As and Pb concentrations may occur in response to CO 2 intrusion, but that the maximum concentration values remain below or close to specified maximum contaminant levels (MCLs). Adsorption/desorption from mineral surfaces may strongly impact the mobilization of As and Pb.

The suitability of the self-consistent reaction field (SCRF) strategy for the study of solutes in chloroform solution has been examined. The SCRF method developed by Miertus, Scrocco and Tomasi (MST) has been parametrized at both ab initio 6-31G* and semiempirical AM1, MNDO, and PM3 levels. The reliability of the MST/SCRF model has been assessed from the comparison with results derived from classical Monte Carlo-free energy perturbation simulations and from mixed Monte Carlo-quantum mechanical/molecular mechanical computations, as well as with experimental data. The parametrized MST/SCRF method estimates the free energy of solvation with a root-mean-square deviation of 0.4 kcal/mol from the experimental value for the molecules studied. Further confidence in the optimized method stems from its ability to reproduce the tautomeric change of 2-and 4-pyridone upon transfer from gas phase to chloroform and the partition coefficient for compounds not considered in the parametrization. The results indicate the suitability of the MST/SCRF model for the study of solvent effects in dilute chloroform solutions.