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Binding constants (K) are foundational to supramolecular chemistry and quantified by modelling spectroscopic (NMR, UV-vis) titration data according to chemical equilibria. Spurred by growth in data science, the tools and methods for determining K values have accelerated in recent years. To share these advances, we provided a Workshop on Quantifying Binding Constants at ISMSC 2023 in Iceland and herein share the objectives, processes, and recommendations. We framed this short course in terms of learning to drive, from the basics ‘under the hood’, to ‘behind the wheel’, and navigating ‘the open road’. These steps are crucial in the ‘drive to K-town’, where participants appreciate the importance of building, analysing, and comparing models. K-town is where they assess the hazards of incomplete models, inaccurate K values, and incorrect uncertainty assessment. We conclude with the Supramolecular Chemist’s Pledge as a starting point for considering quality control in determining K values.
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Contosta/Old-Town-Met-Data: Publishing Old Town Met Data
Updating release of Old Town Met Data collected at the Old Town Ecological Observatory, Old Town, Maine, USA. Data and code use used to generate figures and results in the following publication: Pastore, M.A., Nelson, S.J., Burakowski, E.A., Contosta, A.R., D'Amato, A.W., Garlick, S., Lindsey, E., Lutz, D.A., Morelli, T.L., Sirén, A.P.K., Smith, G., and Weiskittel, A. In press. Snow refugia: Managing temperate forest canopies to maintain winter conditions, Ecosphere.
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- Award ID(s):
- 2224545
- PAR ID:
- 10659624
- Publisher / Repository:
- Zenodo
- Date Published:
- Edition / Version:
- v1.0.1
- Format(s):
- Medium: X
- Right(s):
- Creative Commons Zero v1.0 Universal
- Sponsoring Org:
- National Science Foundation
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