Journal article
ExpFlow: a graphical user interface for automated reproducible electrochemistry
Digital discovery, Vol.3(1), pp.163-172
01/01/2024
DOI: 10.1039/d3dd00156c
Abstract
Reproducible data and results underpin the credibility and integrity of research findings across the sciences. However, experiments and measurements conducted across laboratories, or by different researchers, are often hindered by incomplete or inaccessible procedural data. Additionally, the time and resources needed to manually perform repeat experiments and analyses limit the scale at which experiments can be reproduced. Both improved methods for recording and sharing experimental procedures in machine-readable formats and efforts towards automation can be beneficial to circumvent these issues. Here we report the development of ExpFlow, a data collection, sharing, and reporting software currently customized for electrochemical experiments. The ExpFlow software allows researchers to systematically encode laboratory procedures through a graphical user interface that operates like a fill-in-the-blank laboratory notebook. Built-in calculators automatically derive properties such as diffusion coefficient and charge-transfer rate constant from uploaded data. Further, we deploy ExpFlow procedures with robotic hardware and software to perform cyclic voltammetry (CV) experiments in triplicate for eight well-known electroactive systems. The resulting oxidation potentials and diffusion coefficients are consistent with literature-reported values, validating our approach and demonstrating the utility of robotic experimentation in promoting reproducibility. Ultimately, these tools enable automated and (semi)autonomous cyclic voltammetry experiments and measurements that will facilitate high-throughput experimentation, reproducibility, and eventually data-driven electrochemical discovery.
ExpFlow, a software that allows the systematic encoding of laboratory workflows through a graphical user interface, facilitates the translation of human-developed laboratory procedures to robotic experimentation.
Details
- Title: Subtitle
- ExpFlow: a graphical user interface for automated reproducible electrochemistry
- Creators
- Rebekah Duke - University of KentuckySiamak Mahmoudi - University of KentuckyAman Preet Kaur - University of KentuckyVinayak Bhat - University of KentuckyIan C. Dingle - University of KentuckyNathan C. Stumme - Univ Iowa, Dept Chem, Iowa City, IA 52242 USAScott K. Shaw - University of Iowa, ChemistryDavid Eaton - University of KentuckyAsmund Vego - University of KentuckyChad Risko - University of Kentucky
- Resource Type
- Journal article
- Publication Details
- Digital discovery, Vol.3(1), pp.163-172
- DOI
- 10.1039/d3dd00156c
- ISSN
- 2635-098X
- eISSN
- 2635-098X
- Publisher
- Royal Soc Chemistry
- Number of pages
- 10
- Grant note
- National Science Foundation (NSF) 2019574 / National Science Foundation; National Science Foundation (NSF)
- Language
- English
- Electronic publication date
- 12/05/2023
- Date published
- 01/01/2024
- Academic Unit
- Chemistry
- Record Identifier
- 9984538958702771
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