Beyond "Mega": Origin of the "Giga" Stokes Shift for Triazolopyridiniums.

Over the past decade, fluorophores that exhibit "mega" Stokes shifts, defined to be Stokes shifts of greater than 100 nm, have gained considerable attention due to their potential technological applications. A subset of these fluorophores have Stokes shifts of at least 10,000 cm, for whom we suggest the moniker "giga" Stokes shift. The majority of "giga" Stokes shifts reported in the literature arise from the twisted intramolecular charge transfer mechanism, but this mechanism does not fit empirical characterization of triazolopyridinium (TOP).

Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Students.

Recent advances in computer hardware and software, particularly the availability of machine learning libraries, allow the introduction of data-based topics such as machine learning into the Biophysical curriculum for undergraduate and/or graduate levels. However, there are many practical challenges of teaching machine learning to advanced-level students in the biophysics majors, who often do not have a rich computational background. Aiming to overcome such challenges, we present an educational study, including the design of course topics, pedagogical tools, and assessments of student learning, to develop the new methodology to incorporate the basis of machine learning in an existing Biophysical elective course, and engage students in exercises to solve problems in an interdisciplinary field.