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Improved data visualization techniques for analyzing macromolecule structural changes.

ABSTRACT: The empirical phase diagram (EPD) is a colored representation of overall structural integrity and conformational stability of macromolecules in response to various environmental perturbations. Numerous proteins and macromolecular complexes have been analyzed by EPDs to summarize results from large data sets from multiple biophysical techniques. The current EPD method suffers from a number of deficiencies including lack of a meaningful relationship between color and actual molecular features, difficulties in identifying contributions from individual techniques, and a limited ability to be interpreted by color-blind individuals. In this work, three improved data visualization approaches are proposed as techniques complementary to the EPD. The secondary, tertiary, and quaternary structural changes of multiple proteins as a function of environmental stress were first measured using circular dichroism, intrinsic fluorescence spectroscopy, and static light scattering, respectively. Data sets were then visualized as (1) RGB colors using three-index EPDs, (2) equiangular polygons using radar charts, and (3) human facial features using Chernoff face diagrams. Data as a function of temperature and pH for bovine serum albumin, aldolase, and chymotrypsin as well as candidate protein vaccine antigens including a serine threonine kinase protein (SP1732) and surface antigen A (SP1650) from S. pneumoniae and hemagglutinin from an H1N1 influenza virus are used to illustrate the advantages and disadvantages of each type of data visualization technique.

SUBMITTER: Kim JH

PROVIDER: S-EPMC3526995 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:To evaluate ease of use and usefulness for nurses of visualizations of infectious disease transmission in a hospital.An observational study was used to evaluate perceptions of several visualizations of data extracted from electronic health records designed using a participatory approach. Twelve nurses in the master's program in an urban research-intensive nursing school participated in May 2015.A convergent parallel mixed method was used to evaluate nurses' perceptions on ease of use and usefulness of five visualization conveying trends in hospital infection transmission applying think-aloud, interview, and eye-tracking techniques.Subjective data from the interview and think-aloud techniques indicated that participants preferred the traditional line graphs in simple data representation due to their familiarity, clarity, and easiness to read. An objective quantitative measure of eye movement analysis (444,421 gaze events) identified a high degree of participants' attention span in infographics in all three scenarios. All participants responded with the correct answer within 1 min in comprehensive tests.A user-centric approach was effective in developing and evaluating visualizations for hospital infection transmission. For the visualizations designed by the users, the participants were easily able to comprehend the infection visualizations on both line graphs and infographics for simple visualization. The findings from the objective comprehension test and eye movement and subjective attitudes support the feasibility of integrating user-centric visualization designs into electronic health records, which may inspire clinicians to be mindful of hospital infection transmission. Future studies are needed to investigate visualizations and motivation, and the effectiveness of visualization on infection rate.This study designed visualization images using clinical data from electronic health records applying a user-centric approach. The design insights can be applied for visualizing patient data in electronic health records.

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Improved data visualization techniques for analyzing macromolecule structural changes.

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