3D Printing of Molecular Models with Calculated Geometries and p Orbital Isosurfaces

Carroll, Felix A.; Blauch, David N.

doi:10.1021/acs.jchemed.6b00933

Cited by 28 publications

(30 citation statements)

References 14 publications

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“…Physicalizations inherit all of the practical and social advantages of everyday objects: they can be explored through touch, carried around, or possessed [VM08], and they can be directly manipulated [TJW * 16]. Data physicalization has both historic and contemporary applications in many domains, including geospatial visualization (e.g., [DMAS17,ADMAS18]), planning (e.g., [FWF * 14, AFS05]), medicine (e.g., [BHR * 17, HAD * 18]), mathematics (e.g., [Seg12,KS13]), and education (e.g., [CB17,HSBH17]).…”

Section: Introductionmentioning

confidence: 99%

Data to Physicalization: A Survey of the Physical Rendering Process

Djavaherpour,

Samavati,

Mahdavi-Amiri

et al. 2021

Preprint

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Physical representations of data offer physical and spatial ways of looking at, navigating, and interacting with data. While digital fabrication has facilitated the creation of objects with data-driven geometry, rendering data as a physically fabricated object is still a daunting leap for many physicalization designers. Rendering in the scope of this research refers to the backand-forth process from digital design to digital fabrication and its specific challenges. We developed a corpus of example data physicalizations from research literature and physicalization practice. This survey then unpacks the "rendering" phase of the extended InfoVis pipeline in greater detail through these examples, with the aim of identifying ways that researchers, artists, and industry practitioners "render" physicalizations using digital design and fabrication tools.

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Section: Introductionmentioning

confidence: 99%

Data to Physicalization: A Survey of the Physical Rendering Process

Djavaherpour,

Samavati,

Mahdavi-Amiri

et al. 2021

Preprint

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“…13,26,29,30 Other works feature extraction of computational modeling data and subsequent translation to produce isosurfaces for bonding. 28,29 While Hein provides a procedure for converting reaction kinetic data into a mesh that is readable by a 3D printer to produce 3D reaction progress plots. 27 Of direct influence on this report are those works that describe methods and activities based around creating and/or translating chemical structure drawing files into files (.zpd or .stl) that may be read by 3D printers.…”

Section: ■ Introductionmentioning

confidence: 99%

3D Printing Workshop Activity That Aids Representation of Molecules and Student Comprehension of Shape and Chirality

2020

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Traditionally, there is often a shortfall in the ability of students to draw and visualize molecules in set orientations and assign their stereochemistry. We have created and evaluated a 3D printing workshop activity suitable, but not limited to, small-group undergraduate teaching of stereochemistry. The activity blends question and answer tasks with a complete workflow for students to draw a chiral molecule and prepare it for 3D printing as part of their class time. The majority of students enjoyed the activity and wished to see more 3D printing in their education, with the integration of steps that require students to draw the structures and prepare the printing files being found important and highly beneficial. Comparing data collected before and after the workshop highlights that this activity has led to improvements in student confidences in drawing chiral centers and increases in perceived competences in understanding, representing, and assigning chirality.

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“…This new generation of molecular models goes beyond the modeling kits that are ubiquitous in science classrooms everywhere. Using 3D printing, researchers have created personalized models to describe proteins, DNA, hybridization, crystal unit cells, nanostructures, complex orbitals, steric interactions, and even models of potential energy surface, among other topics. Despite the utility of these new models, the relatively slow extrusion rate of the current technology means that models can take from several minutes up to hours to complete necessitating the production of models occur outside of normal class times.…”

Section: Introductionmentioning

confidence: 99%

Drawing in 3D: Using 3D printer pens to draw chemical models

Bernard

Mendez

2020

Biochem Molecular Bio Educ

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Development of three-dimensional (3D) printing technology has started a new chapter for in-classroom modeling of chemical molecules. The technology provides the opportunity to design and produce various types of personalized models.However, using classical 3D printers is time consuming, and it is hard to involve students in the modeling process during traditional class times. One solution can be using hand-held 3D printers (3D pens) that allow users to instantly draw geometrical structures. Unfortunately, drawing directly in 3D is very difficult, and precise modeling of even small molecules is simply not possible. In this article, a new approach to 3D modeling is described. It is based on 3D templates that enable the drawing of molecular models directly in three dimensions. The modular nature of the templates allows for the creation of a wide variety of structures. The resulting models provide an accurate representation of molecules including correct bond angles and geometry. This approach makes 3D pens a powerful tool for the modeling of chemical structures. K E Y W O R D S3D printing, molecular modeling, organic chemistry

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3D Printing of Molecular Models with Calculated Geometries and p Orbital Isosurfaces

Cited by 28 publications

References 14 publications

Data to Physicalization: A Survey of the Physical Rendering Process

Data to Physicalization: A Survey of the Physical Rendering Process

3D Printing Workshop Activity That Aids Representation of Molecules and Student Comprehension of Shape and Chirality

Drawing in 3D: Using 3D printer pens to draw chemical models

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