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Poster for Biomedical Engineering Society Annual Conference in San Antonion, TX from October 12-15 2022.

A recent highly-publicized study by Park et al. (Nature 613: 138-144, 2023), claiming that science has become less disruptive over recent decades, represents an extraordinary achievement but with deceptive results. The measure of disruption, CD-5, in this study does not account for differences in citation amid decades of exponential growth in publication rate. In order to account for both the exponential growth as well as the differential impact of research works over time, here we apply a weighted disruption index to the same dataset. We find that, among research papers in the dataset, this weighted disruption index has been close to its expected neutral value over the last fifty years and has even increased modestly since 2000. We also show how the proportional decrease in unique words (highlighted by Park et al. (2023) is expected in an exponentially growing corpus. Finding little evidence for recent decrease in disruption, we suggest that it is actually increasing., Comment: 6 pages, 3 figures, submitted to Advances in Complex Systems on 11 April 2023

Mock employee, device, and location data used in a demonstration of OSF at Vanderbilt in Spring 2023.

This was presented on 2023-03-24 as part of an introduction to OSF sponsored by the Vanderbilt Heard Libraries.

International FAIR Convergence Symposium - November 2020

Slides describing my experience as a graduate student and how it relates to my transition to information science. Using the research lifecycle to discuss how librarians can help graduate students with each step of the research process.

Webinar describing a survey designed to capture popular topics in information literacy courses in STEM fields and a description of a new Chemical Literature course at Vanderbilt University (CHEM 3600/5600) designed to teach search techniques, read and writing, history and purpose of academic journals, and data management.

Syllabus, rubrics, lesson plans, readings, slides, and assignments for Chemical Information 3600/5600.

All documents related to Chemical Information course (CHEM 3600/5600) developed to begin in the Spring semester of 2020 at Vanderbilt.

A curriculum describing research methods and search techniques that are relevant to academic research.

First collaboration attempt with Audrey Bowden. https://engineering.vanderbilt.edu/bio/audrey-bowden

Introduction to library resources, data management, and reading scientific articles.

Syllabus, rubrics, lesson plans, readings, slides, and assignments for Chemical Information 3600/5600.

Slides used for SEL research and course instruction at Vanderbilt University.

Presentation on library resources at Vanderbilt University for ME4271: Robotics on 10/13/2020.

This is the 2nd talk in the Surviving Graduate School Series at Vanderbilt taking place on 01/27/2020 from 12:10-1:40pm in the Seminar room of the Stevenson Library on the Vanderbilt Campus. This talk focuses on mental health challenges that arise upon entering graduate school.

This talk is about communicating research in a narrative format. It presents some research that supports the use of narrative as well as describes how the detective/mystery story design can be an effective way to organize scientific research presentations. This presentation was given at Vanderbilt University on 02/10/2020 from 12:10-1:00pm.

This is part of the Library Workshop series presented at Vanderbilt University in Fall 2020 on 10/20/2020 at 1:00pm.

Demonstration of databases, search techniques, and citation management for Professional Development course in chemistry at Vanderbilt University on February 7, 2020.

This talk is the 1st of 7 in the Surviving Graduate School series. It is about librarians and how they can help students at each stage of the research lifecycle. Presented on January 1st 2020 at 1:10pm in the Stevenson Science and Engineering Library at Vanderbilt University

This is a presentation for CHEM 6900 - Professional Development on managing research literature. It took place on 09/11/2020 at 12:10pm.

Presentation on library resources at Vanderbilt University for ME4271: Robotics on 10/13/2020.

CHEM 4950

This is the 5th seminar in the Surviving Graduate School series and focuses on how to increase the readership of published research.

This is a presentation introducing the resources provide by the Vanderbilt Libraries to honors research students. Completed at 12:30pm on 09/10/2020.

This presentation focuses on national career statistics for PhD students and career resources available at Vanderbilt University. This talk will took place in the Stevenson Library Seminar room (3211) on 02/24/2020 from 12:10-1:00pm.

This is a presentation on Vanderbilt Library resources for CHEM 1111: Chemistry in Neuropsychiatric Disorders on 08/27/2020 at 11:10am.

Presentation on library resources at Vanderbilt University for ME4271: Robotics on 10/13/2020.

These are the slides for a presentation by the Science and Engineering Library at Vanderbilt University to the Chemical Engineering Graduate Students that took place on August 20th at 10am.

Brief summary of library resources at Vanderbilt provided to Honors Thesis students in the Biochemistry and Chemical Biology program. Presentation was given on 01/28/2020 at 12:15pm.

Poster presentation at American Geophysical Union Annual Meeting in Washington DC on December 11, 2018.Conference URL: https://agu.confex.com/agu/fm18/meetingapp.cgi/Paper/466887 Open data policies have been introduced by governments, funders, and publishers over the past decade. Previous research showed a growing recognition by scientists of the benefits of data‐sharing and reuse, but actual practices lag and are not always compliant with new regulations. The goal of this study is to investigate motives, attitudes, and data practices of the community of Earth and planetary geophysicists, a discipline believed to have accepting attitudes toward data sharing and reuse. A better understanding of the attitudes and current data‐sharing practices of this scientific community could enable funders, publishers, data managers, and librarians to design systems and services that help scientists understand and adhere to mandates and to create practices, tools, and services that are scientist‐focused. An online survey was distributed to the members of the American Geophysical Union, producing 1,372 responses from 116 countries. The attitudes of researchers to data sharing and reuse were generally positive, but in practice, scientists had concerns about sharing their own research data. These concerns include the possibility of potential data misuse and the need for assurance of proper citation and acknowledgement. Training and assistance in good data management practices are lacking in many scientific fields and might help to alleviate these doubts.

This is a 10 minute presentation for the Civil & Environmental Engineering Student Group at Vanderbilt University on 11/13/2019 at 12:50pm.

Poster comparing the 3 surveys of scientists published in 2011, 2015, and 2018. Presented at DataONE All Hands Meeting on 08/20/2019 at 6:30pm.Papers1) Tenopir, C., Allard, S., Douglass, K., Aydinoglu, A. U., Wu, L., Read, E., … Frame, M. (2011). Data Sharing by Scientists: Practices and Perceptions. PLoS ONE,6(6), e21101. https://doi.org/10.1371/journal.pone.00211012) Tenopir, C., Dalton, E. D., Allard, S., Frame, M., Pjesivac, I., Birch, B., … Dorsett, K. (2015). Changes in Data Sharing and Data Reuse Practices and Perceptions among Scientists Worldwide. PLOS ONE, 10(8), e0134826. https://doi.org/10.1371/journal.pone.01348263) Tenopir, C., Christian, L., Allard, S., & Borycz, J. (2018). Research Data Sharing: Practices and Attitudes of Geophysicists. Earth and Space Science, 5(12), 891–902. https://doi.org/10.1029/2018EA000461Data1) Tenopir, Carol et al. (2011), Data from: Data sharing by scientists: practices and perceptions, Dryad, Dataset, https://doi.org/10.5061/dryad.6t94p2) Tenopir, Carol et al. (2015), Data from: Changes in data sharing and data reuse practices and perceptions among scientists worldwide, Dryad, Dataset, https://doi.org/10.5061/dryad.1ph923) Tenopir, Carol; Christian, Lisa; Allard, Suzie; Borycz, Josh (2019), Data from: Research data sharing: practices and attitudes of geophysicists, v2, Dryad, Dataset, https://doi.org/10.5061/dryad.sv6t740

Computational Chemistry PhD Thesis from the University of Minnesota, Twin Cities. Presented on June 10, 2016 by Joshua Borycz.

A description of my academic history from graduate school in chemistry to information science. A brief summary of my research in computational chemistry and studies of research scientist's data management behavior and attitudes. Citation: Borycz, J., From Chemistry to Data Management, University of São Paulo, May 2018, São Paulo, SP.

This talk is a summary of the Implementing FAIR Data for People and Machines: Impacts and Implications conference in Washington DC on 09/11/2019. Each of the sessions was briefly summarized and presented in a Brown Bag talk at Vanderbilt University Central Library on 10/21/2019.

The catalytic properties of the metal-organic framework Fe2(dobdc), containing open Fe(II) sites, include hydroxylation of phenol by pure Fe2(dobdc) and hydroxylation of ethane by its magnesium-diluted analogue, Fe0.1Mg1.9(dobdc). In earlier work, the latter reaction was proposed to occur through a redox mechanism involving the generation of an iron(IV)-oxo species, which is an intermediate that is also observed or postulated (depending on the case) in some heme and nonheme enzymes and their model complexes. In the present work, we present a detailed mechanism by which the catalytic material, Fe0.1Mg1.9(dobdc), activates the strong C-H bonds of ethane. Kohn-Sham density functional and multireference wave function calculations have been performed to characterize the electronic structure of key species. We show that the catalytic nonheme-Fe hydroxylation of the strong C-H bond of ethane proceeds by a quintet single-state σ-attack pathway after the formation of highly reactive iron-oxo intermediate. The mechanistic pathway involves three key transition states, with the highest activation barrier for the transfer of oxygen from N2O to the Fe(II) center. The uncatalyzed reaction, where nitrous oxide directly oxidizes ethane to ethanol is found to have an activation barrier of 280 kJ/mol, in contrast to 82 kJ/mol for the slowest step in the iron(IV)-oxo catalytic mechanism. The energetics of the C-H bond activation steps of ethane and methane are also compared. Dehydrogenation and dissociation pathways that can compete with the formation of ethanol were shown to involve higher barriers than the hydroxylation pathway.

Metal-organic frameworks (MOFs) are versatile nanoporous materials that have gained significant interest as low heat capacity, high selectivity sorbents for CO2 capture applications. Large-scale atomistic simulations for identifying high-performance MOFs are possible, but are limited to systems for which existing molecular mechanics force fields describe the interactions between the guest and framework atoms with sufficient accuracy. However, standard force fields are not applicable to cases involving coordinatively unsaturated metal centers that can strongly bind specific sorbate molecules. It has been previously shown that improved force fields can be derived from quantum mechanical calculations. In this work, we derived force fields for an isostructural series of MOFs, M-MOF-74, where M = Mn, Co, Ni, and Cu, from first principles. Monte Carlo calculations in the Gibbs ensemble were used to calculate the CO2 adsorption isotherms in order to assess the quality of the derived force field parameters and to determine a generally applicable procedure for obtaining a reliable force field for a targeted MOF and adsorbate system. The computed CO2 adsorption isotherms for the different M-MOF-74 members agree with experimental measurements at low loading and show that Ni-MOF-74 possesses the highest affinity toward CO2 and Cu-MOF-74 the weakest. In addition, we explored the source of open metal site and pore inaccessibility in these materials and quantified its impact on adsorption, especially the discrepancies often observed between experiments and simulations at high loadings.