Three-dimensional printed surgical templates for fresh cadaveric osteochondral allograft surgery with dimension verification by multivariate computed tomography analysis

Background: The fit of the allograft is a particular concern in fresh cadaveric osteochondral allograft (FOCA) surgery. Digital design and fabrication were utilized in conjunction with traditional surgery to enable efficient discovery and reproduction of appropriately dimensioned allograft. Methods: A patient with large osteochondral defects in the lateral femoral condyle was to undergo FOCA surgery. A digital virtual operation was performed, based on computed tomography (CT) images of the patient. Polyamide saw templates were manufactured using a selective laser sintering process, and gypsum powder was used to manufacture preoperative and intraoperative medical models with binder jetting process. The design dimensions were verified numerically by determining the intactness of the section surface and allograft volume based on four independent measurements of the initial design, and an automated design optimization strategy was postulated. For the surgery, a lateral longitudinal approach was employed. Results: The virtual operation allowed an efficient design of the saw templates. Their shape and dimensions were verified with a numerical CT analysis method. The allograft dimensions (medial-lateral/superior-inferior/anterior-posterior) were approximately 40/28.5/24 mm, respectively, with the anterosuperior corner diagonally removed, yielding a section volume of approximately 16.5 cm(3). These manually chosen dimensions were reminiscent of the corresponding computationally optimized values. Conclusions: Use of computer-aided design in virtual operation planning and three-dimensional printing in the fabrication of designed templates allowed for an efficient FOCA procedure and accurate allograft fitting. The numerical optimization method allowed for a semiautomated design process, which could in turn be realized also with surgical navigation or robotic surgery methods. (C) 2019 Elsevier B.V. All rights reserved.Peer reviewe

Geometric Modeling of Cellular Materials for Additive Manufacturing in Biomedical Field: A Review

Advances in additive manufacturing technologies facilitate the fabrication of cellular materials that have tailored functional characteristics. The application of solid freeform fabrication techniques is especially exploited in designing scaffolds for tissue engineering. In this review, firstly, a classification of cellular materials from a geometric point of view is proposed; then, the main approaches on geometric modeling of cellular materials are discussed. Finally, an investigation on porous scaffolds fabricated by additive manufacturing technologies is pointed out. Perspectives in geometric modeling of scaffolds for tissue engineering are also proposed

The Journal of Computer-Aided Molecular Design: a bibliometric note

Summarizes the articles in, and the citations to, volumes 2-24 of the Journal of Computer-Aided Molecular Design. The citations to the journal come from almost 2000 different sources that span a very wide range of academic subjects, with the most heavily cited articles being descriptions of software systems and of computational methods

Fourth-order flows in surface modelling

This short article is a brief account of the usage of fourth-order curvature flow in surface modelling

A bibliometric analysis of the Journal of Molecular Graphics and Modelling

This paper reviews the articles published in Volumes 2-24 of the Journal of Molecular Graphics and Modelling (formerly the Journal of Molecular Graphics), focusing on the changes that have occurred in the subject over the years, and on the most productive and most cited authors and institutions. The most cited papers are those describing systems or algorithms, but the proportion of these types of article is decreasing as more applications of molecular graphics and molecular modelling are reported

From 3D Models to 3D Prints: an Overview of the Processing Pipeline

Due to the wide diffusion of 3D printing technologies, geometric algorithms for Additive Manufacturing are being invented at an impressive speed. Each single step, in particular along the Process Planning pipeline, can now count on dozens of methods that prepare the 3D model for fabrication, while analysing and optimizing geometry and machine instructions for various objectives. This report provides a classification of this huge state of the art, and elicits the relation between each single algorithm and a list of desirable objectives during Process Planning. The objectives themselves are listed and discussed, along with possible needs for tradeoffs. Additive Manufacturing technologies are broadly categorized to explicitly relate classes of devices and supported features. Finally, this report offers an analysis of the state of the art while discussing open and challenging problems from both an academic and an industrial perspective.Comment: European Union (EU); Horizon 2020; H2020-FoF-2015; RIA - Research and Innovation action; Grant agreement N. 68044

Review of research in feature-based design

Research in feature-based design is reviewed. Feature-based design is regarded as a key factor towards CAD/CAPP integration from a process planning point of view. From a design point of view, feature-based design offers possibilities for supporting the design process better than current CAD systems do. The evolution of feature definitions is briefly discussed. Features and their role in the design process and as representatives of design-objects and design-object knowledge are discussed. The main research issues related to feature-based design are outlined. These are: feature representation, features and tolerances, feature validation, multiple viewpoints towards features, features and standardization, and features and languages. An overview of some academic feature-based design systems is provided. Future research issues in feature-based design are outlined. The conclusion is that feature-based design is still in its infancy, and that more research is needed for a better support of the design process and better integration with manufacturing, although major advances have already been made

Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.

We introduce a new method for rapid computation of 3D molecular similarity that combines electrostatic field comparison with comparison of molecular surface-shape and directional hydrogen-bonding preferences (called "eSim"). Rather than employing heuristic "colors" or user-defined molecular feature types to represent conformation-dependent molecular electrostatics, eSim calculates the similarity of the electrostatic fields of two molecules (in addition to shape and hydrogen-bonding). We present detailed virtual screening performance data on the standard 102 target DUD-E set. In its moderately fast screening mode, eSim running on a single computing core is capable of processing over 60 molecules per second. In this mode, eSim performed significantly better than all alternate methods for which full DUD-E data were available (mean ROC area of 0.74, p [Formula: see text], by paired t-test, compared with the best performing alternate method). In addition, for 92 targets of the DUD-E set where multiple ligand-bound crystal structures were available, screening performance was assessed using alternate ligands or sets thereof (in their bound poses) as similarity targets. Using the joint alignment of five ligands for each protein target, mean ROC area exceeded 0.82 for the 92 targets. Design-focused application of ligand similarity methods depends on accurate predictions of geometric molecular relationships. We comprehensively assessed pose prediction accuracy by curating nearly 400,000 bound ligand pose pairs across the DUD-E targets. Overall, beginning from agnostic initial poses, we observed an 80% success rate for RMSD [Formula: see text] Å  among the top 20 predicted eSim poses. These examples were split roughly 50/50 into cases with high direct atomic overlap (where a shared scaffold exists between a pair) and low direct atomic overlap (where where a ligand pair has dissimilar scaffolds but largely occupies the same space). Within the high direct atomic overlap subset, the pose prediction success rate was 93%. For the more challenging subset (where dissimilar scaffolds are to be aligned), the success rate was 70%. The eSim approach enables both large-scale screening and rational design of ligands and is rooted in physically meaningful, non-heuristic, molecular comparisons