Extreme-field physics in Penning traps

We present two Penning trap experiments concerned with different aspects of the physics of extreme electromagnetic fields, the ARTEMIS experiment designed for bound-electron magnetic moment measurements in the presence of the extremely strong fields close to the nucleus of highly charged ions, and the HILITE experiment, in which well-defined ion targets are to be subjected to high-intensity laser fields.     

The periodic table and the model of emerging truth

The periodic table may be seen as the most successful example of inquiry in the history of science, both in terms of practical application and theoretic understanding. As such, it serves as a model for truth as it emerges from inquiry. This paper offers a sketch of a central moment in the history of chemistry that illustrates an intuitive metamathematical construction, a model of emerging truth (MET). The MET, reflecting the structure the surrounds the periodic table, attempts to capture the salient epistemological elements that warrant truth claims based on sets of models that are progressive in light of both empirical and theoretical advance seen over time.     

Strategic analysis of the dairy transportation problem

The dairy transportation problem (DTP) consists of determining the best routes to be performed for collecting milk from farms and delivering it to processing plants. We study the particular case of the province of Quebec, where the Fédération des producteurs de lait du Québec is responsible for negotiating the transportation costs on behalf of producers. Several issues are highlighted in the actual process of designing contracts such as using historical data. We propose an approach based on scenario analysis that consists of revising both the steps and the information used to construct the routes. We develop a generalized tabu search algorithm that integrates the different characteristics of the DTP.     

The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP

In drug discovery, protonation states and tautomerization are easily overlooked. Through a Merck–Rutgers collaboration, this paper re-examined the initial settings and preparations for the Thermodynamic Integration (TI) calculation in AMBER Free-Energy Workflows, demonstrating the value of careful consideration of ligand protonation and tautomer state. Finally, promising results comparing AMBER TI and Schrödinger FEP+ are shown that should encourage others to explore the value of TI in routine Structure-based Drug Design.     

Reaction to Paul’s Column “Where do we find the graphs from PT programmes showing measurement performance?”

The tentative arguments mentioned by Paul De Bievre are discussed and alternatives are given that may lead to different insights.