Possibility of reconstruction of dental plaster cast from 3D digital study models.

OBJECTIVES: To compare traditional plaster casts, digital models and 3D printed copies of dental plaster casts based on various criteria. To determine whether 3D printed copies obtained using open source system RepRap can replace traditional plaster casts in dental practice. To compare and contrast the qualities of two possible 3D printing options--source system RepRap and commercially available 3D printing. DESIGN AND SETTINGS: A method comparison study on 10 dental plaster casts from the Orthodontic department, Department of Stomatology, 2nd medical Faulty, Charles University Prague, Czech Republic. MATERIAL AND METHODS: Each of 10 plaster casts were scanned by inEos Blue scanner and the printed on 3D printer RepRap [10 models] and ProJet HD3000 3D printer [1 model]. Linear measurements between selected points on the dental arches of upper and lower jaws on plaster casts and its 3D copy were recorded and statistically analyzed. RESULTS: 3D printed copies have many advantages over traditional plaster casts. The precision and accuracy of the RepRap 3D printed copies of plaster casts were confirmed based on the statistical analysis. Although the commercially available 3D printing enables to print more details than the RepRap system, it is expensive and for the purpose of clinical use can be replaced by the cheaper prints obtained from RepRap printed copies. CONCLUSIONS: Scanning of the traditional plaster casts to obtain a digital model offers a pragmatic approach. The scans can subsequently be used as a template to print the plaster casts as required. Using 3D printers can replace traditional plaster casts primarily due to their accuracy and price.

Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set.

In this paper, an extension of the S22 data set of Jurecka et al. ( Jurecka , P. ; Sponer , J. ; Cerný , J. ; Hobza , P. Phys. Chem. Chem. Phys. 2006 , 8 , 1985. ), the data set of benchmark CCSD(T)/CBS interaction energies of twenty-two noncovalent complexes in equilibrium geometries, is presented. The S22 data set has been extended by including the stretched (one shortened and three elongated) complex geometries of the S22 data set along the main noncovalent interaction coordinate. The goal of this work is to assess the accuracy of the popular wave function methods (MP2-, MP3- and, CCSD-based) and density functional methods (with and without empirical correction for the dispersion energy) for noncovalent complexes based on a statistical evaluation not only in equilibrium, but also in nonequilibrium geometries. The results obtained in this work provide information on whether an accurate and balanced description of the different interaction types and complex geometry distortions can be expected from the tested methods. This information has an important implication in the calculation of large molecular complexes, where the number of distant interacting molecular fragments, often in far from equilibrium geometries, increases rapidly with the system size. The best performing WFT methods were found to be the SCS-CCSD (spin-component scaled CCSD, according to Takatani , T. ; Hohenstein , E. G. ; Sherrill , C. D. J. Chem. Phys. 2008 , 128 , 124111 ), MP2C (dispersion-corrected MP2, according to Hesselmann , A. J. Chem. Phys. 2008 , 128 , 144112 ), and MP2.5 (scaled MP3, according to Pitonák , M. ; Neogrády , P. ; Cerný , J. ; Grimme , S. ; Hobza , P. ChemPhysChem 2009 , 10 , 282. ). Since none of the DFT methods fulfilled the required statistical criteria proposed in this work, they cannot be generally recommended for large-scale calculations. The DFT methods still have the potential to deliver accurate results for large molecules, but most likely on the basis of an error cancellation.