A pilot study on the application of a digital dental teaching evaluation system in Class II cavity preparation teaching.

Objective: To explore the feasibility of applying the digital evaluation system in the homogeneous training and qualification evaluation of teaching faculty in the preclinical simulation teaching of G.V. Black Class II cavity tooth preparation in operative dentistry.

Efficient Excitonic Configuration Interaction for Large-Scale Multichromophoric Systems Using the Resolution-of-Identity Approximation.

The calculation of electronic excited states in extended multichromophoric systems is computationally challenging. Here, we accelerate our recently introduced excitonic configuration interaction (ECI) method [T. Piteša et al.

The Restoration of Energy Pathways Indicates the Efficacy of Ketamine Treatment in Depression: A Metabolomic Analysis.

Aims: Despite the clinical benefits of ketamine in treating major depressive disorder (MDD), some patients exhibit drug resistance, and the intricate mechanisms underlying this await comprehensive explication. We used metabolomics to find biomarkers for ketamine efficacy and uncover its mechanisms of action.

Methods: The study included 40 MDD patients treated with ketamine in the discovery cohort and 24 patients in the validation cohort.

Parametrization of Linear Vibronic Coupling Models for Degenerate Electronic States.

Linear vibronic coupling (LVC) models have proven to be effective in describing coupled excited-state potential energy surfaces of rigid molecules. However, obtaining the LVC parameters in molecules with many degrees of freedom and a large number of, possibly (near-)degenerate, electronic states can be challenging. In this paper, we discuss how the linear intra- and interstate couplings can be computed correctly using a numerical differentiation scheme, requiring a phase correction and sufficient numerical precision in the involved electronic structure calculations.

Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging.

The photochemistry of heterocyclic molecules plays a decisive role for processes and applications like DNA photo-protection from UV damage and organic photocatalysis. The photochemical reactivity of heterocycles is determined by the redistribution of photoenergy into electronic and nuclear degrees of freedom, initially involving ultrafast internal conversion. Most heterocycles are planar in their ground state and internal conversion requires symmetry breaking.