Schiller International University

Bittersweet dynamics from flowers to fruits: chemometric molecular networking reveals metabolic changes towards reduced toxicity over ontogeny in above-ground Solanum dulcamara chemotypes

Poisonous plants frequently deploy toxic metabolites in an organ- and ontogenetic-specific manner, yet the developmental dynamics of these plant specialised metabolites remain poorly understood. In the Solanaceae, steroidal glycosides (SGs), including steroidal glycoalkaloids (SG...

Highly Efficient Exciton Modulation in MoSe2/PdSe2 Heterostructures

Abstract We report a pronounced ∼6-fold enhancement of room-temperature A-exciton emission in a type-I MoSe2/PdSe2 van der Waals heterostructure, yielding a photoluminescence quantum yield of 6%, as compared to ∼1% for as-exfoliated monolayer MoSe2. This unusual enhancement is ac...

Accessing Sterically Congested Benzannulated Cyclic Aryl Ethers via Photoredox Decarboxylative Giese-Type C2–C3 Bond Formation

Abstract The visible-light-driven photocatalytic decarboxylation of α-aryloxy carboxylic acids produces α-oxy carbon-centered radicals that undergo intramolecular Giese addition to form 2,3-dihydrobenzofurans, chromans, 2,3,4,5-tetrahydrobenzo[b]oxepines, and 3,4,5,6-tetrahydro-2...

The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic-structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in...

Bottom-Up Realization of a Type-II Organic/Transition-Metal Dichalcogenides Heterointerface: Pentacene on Monolayer WS2

Abstract Stacked van der Waals heterostructures based on transition-metal dichalcogenides (TMDs) exhibit a rich variety of exotic interfacial phenomena. Substituting one component with an organic semiconductor (OSC) enables the design of hybrid heterostructures with tunable funct...

Spin Crossover in an Iron(II) Complex with a Radical Iminosemiquinonate Ligand

Abstract Metal complexes that exhibit spin crossover (SCO) or valence tautomerism (VT) are promising candidates for molecular materials. In an exploration of the interplay between SCO and VT in iron chemistry, we combined redox-active aminophenol derivatives (4,6-di-tert-butylphe...

DrillerDB Well Records Dataset: Coverage, Provenance, Normalization, and Research Access

DrillerDB maintains a compiled database of 22,983,432 water-well records from all 50 U.S. states and six Canadian provinces. The records come from public well-completion reports and well logs published by state and provincial agencies. DrillerDB retains source links, maps differi...

Comparative analysis of neuronal proteolytic pathways reveals neuron-specific and sub-compartmental-specific capacities with aging

Abstract Proteostasis is essential for maintaining neuronal function, and its dysregulation is a hallmark of aging and neurodegeneration. The ubiquitin-proteasome system (UPS) and macroautophagy are the two major proteolytic pathways responsible for protein degradation. However,...