How to Find Molecules with Long-lasting Charge Migration?

Under certain conditions, the ionization of a molecule may create a superposition of electronic states, leading to ultrafast electron dynamics. If controlled, this motion could be used in attochemistry applications, but it has been shown that the decoherence induced by the nuclear motion typically happens in just a few femtoseconds. We recently developed an efficient algorithm for finding molecules exhibiting long-lasting electronic coherence and charge migration across the molecular structure after valence ionization.

Systematic Handling of Environmental Fate Data for Model Development-Illustrated for the Case of Biodegradation Half-Life Data.

The assessment of environmental hazard indicators such as persistence, mobility, toxicity, or bioaccumulation of chemicals often results in highly variable experimental outcomes. Persistence is particularly affected due to a multitude of influencing environmental factors, with biodegradation experiments resulting in half-lives spanning several orders of magnitude. Also, half-lives may lie beyond the limits of reliable half-life quantification, and the number of available data points per substance may vary considerably, requiring a statistically robust approach for the characterization of data.

Gamified online surveys: Assessing experience with self-determination theory.

We developed four online interfaces supporting citizen participation in decision-making. We included (1) learning loops (LLs), good practice in decision analysis, and (2) gamification, to enliven an otherwise long and tedious survey. We investigated the effects of these features on drop-out rate, perceived experience, and basic psychological needs (BPNs): autonomy, competence, and relatedness, all from self-determination theory.

Financial toxicity among cancer survivors: a conceptual model based on a feedback perspective.

Purpose: Experiencing financial toxicity following a cancer diagnosis is a circular and complex process. We investigate the circular causal mechanisms that either reinforce or balance financial toxicity dynamics.

Methods: We conducted a literature review, expert interviews, a participatory modeling process, and exploratory interviews with N = 11 adults with cancer living in Switzerland.