What Two-Dimensional Electronic Spectroscopy Can Tell Us about Energy Transfer in Dendrimers: Ab Initio Simulations.

Two-dimensional (2D) electronic spectra of the phenylene ethynylene dendrimer with 2-ring and 3-ring branches were evaluated by combining the on-the-fly trajectory surface hopping nonadiabatic dynamics and the doorway-window simulation protocol. The ground state bleach (GSB), stimulated emission (SE), and excited-state absorption (ESA) contributions to the 2D signal were obtained and carefully analyzed. The results demonstrate that the ultrafast intramolecular nonadiabatic excited-state energy transfer (EET) from the 2-ring to the 3-ring units is comprehensively characterized by the SE and ESA signals.

Binding-site switch of Protein Kinase CK2 inhibitors.

The serine/threonine protein kinase CK2, a tetramer composed of a regulatory dimer (CK2β2) bound to two catalytic subunits CK2α, is a well-established therapeutic target for various pathologies, including cancer and viral infections. Several types of CK2 inhibitors have been developed, including inhibitors that bind to the catalytic ATP-site, bivalent inhibitors that occupy both the CK2α ATP-site and the αD pocket, and inhibitors that target the CK2α/CK2β interface. Interestingly, the bivalent inhibitor AB668 shares a similar chemical structure with the interface inhibitor CCH507.

Volcanic aerosols captured by plants: A study of nanoparticles and their chemical composition.

Nanoparticles (NPs) exhibit high reactivity and mobility in the environment, and a significant capacity to penetrate living organisms, potentially leading to harmful effects. Volcanoes are the second major source of natural NPs emitted into the atmosphere, with an estimated flux of 342 Tg/year. Few studies have focused on their fate.

Screening for Financial Toxicity in Oncology Research and Practice: A Narrative Review.

Financial toxicity (FT) is now a well-recognized issue affecting many patients with cancer and their families. The field is rapidly moving from a focus on describing this problem to efforts to optimize screening and identify management solutions. There are now multiple validated tools to study FT in the research setting.

Towards the design of ligands of the internal pocket TEADs C-terminal domain.

The Hippo pathway controls in organ size and tissue homeostasis through regulating cell growth, proliferation and apoptosis. Phosphorylation of the transcription co-activator YAP (Yes associated protein) and TAZ (Transcriptional coactivator with PDZ-binding motif) regulates their nuclear import and therefore their interaction with TEAD (Transcriptional Enhanced Associated Domain). YAP, TAZ and TEADs are dysregulated in several solid cancers making YAP/TAZ-TEAD interaction a new anti-cancer target.