A new approach for performing Particle Mesh Ewald in ab initio quantum mechanical/molecular mechanical (QM/MM) simulations with extended atomic orbital basis sets is presented. The new approach, the Ambient-Potential Composite Ewald (CEw) method, does not perform the QM/MM interaction with Mulliken charges nor electrostatically fit charges. Instead the nuclei and electron density interact direc...

We estimate the relation between binary responses and corresponding covariate vectors, both observed over a large spatial lattice. We assume a hierarchical generalized linear model with probit link function, partition the lattice into blocks, and adopt the working assumption of independence between the blocks to obtain an easily solved estimating equation. Standard errors are obtained using the...

OBJECTIVE To evaluate the 12-month clinical performance of conventional (Compoglass F) and colored (Twinky Star) compomer restorative materials in class II restorations of primary molars. MATERIALS AND METHODS A total of 196 restorations were placed in 98 children aged between 5 and 10 years (mean age: 7.43 +/- 1.31 years) who had bilateral matched pairs of carious posterior class II primary ...

One of the main endeavors in today’s Life Science remains the efficient sequencing of long DNA molecules. Today, most de-novo sequencing of DNA is still performed using electrophoresis-based Sanger Sequencing introduced in 1977, in spite of certain restrictions of this method. Recently, we proposed a new method for DNA sequencing using base-specific cleavage and mass spectrometry, that appears ...

statement of problem: since the fluoride releases from materials with the property of releasing fluoride are decreasing gradually, it seems that probably the material rechargeability is more important than their long-term fluoride release. purpose: the objective of this study was to asses the fluoride release and rechargeability of 2 types of fluoride releasing restorative materials, a resin mo...

The hardening of modified polyacid composite resins (compomers) and glass-ionomers have been studied using infrared spectroscopy. The acid-base reaction in Ketac-fil, a glass ionomer, was followed by the ratio between the COOH band located around 1715 cm⁻¹ and that corresponding to COO⁻ located around 1570 cm⁻¹. The combination of infrared analysis and band narrowing treatments enable us to pro...