Biodiversity spatial distribution of benthic macroinvertebrate assemblages is influenced by anthropogenic disturbances at multiple spatial extents.

Understanding the patterns and mechanisms of biodiversity and its organization in space is essential for developing effective conservation strategies. Zeta diversity is an index of how taxa are shared by several sites, providing information on how ecological filters, including anthropogenic disturbances, influence biodiversity distribution. This study documents how anthropogenic disturbances at multiple spatial extents affect the spatial variation of benthic macroinvertebrate assemblages in lotic ecosystems.

The impacts of alien species on river bioassessment.

The extent of alien taxa impacts on river ecosystem health is unclear, but their frequency continues to rise. We investigated 1) the prevalence of including alien taxa in common bioindicators used in river bioassessment, 2) the effect of alien taxa on the richness and abundance of natives, and 3) whether including alien taxa in bioassessment tools increased their sensitivity to river degradation. In the 17 countries analyzed fish represented the greatest number of alien species (1726), followed by macrophytes (925), macroinvertebrates (556), and diatoms (7).

VeloxChem: GPU-Accelerated Fock Matrix Construction Enabling Complex Polarization Propagator Simulations of Circular Dichroism Spectra of G-Quadruplexes.

An automatic code generated C++/HIP/CUDA implementation of the (auxiliary) Fock, or Kohn-Sham, matrix construction for execution in GPU-accelerated hardware environments is presented. The module is developed as part of the quantum chemistry software package VeloxChem, employing localized Gaussian atomic orbitals. The performance and scaling characteristics are analyzed in view of the specific requirements for self-consistent field optimization and response theory calculations.

Navigating from cellular phenotypic screen to clinical candidate: selective targeting of the NLRP3 inflammasome.

The NLRP3 inflammasome plays a pivotal role in host defense and drives inflammation against microbial threats, crystals, and danger-associated molecular patterns (DAMPs). Dysregulation of NLRP3 activity is associated with various human diseases, making it an attractive therapeutic target. Patients with NLRP3 mutations suffer from Cryopyrin-Associated Periodic Syndrome (CAPS) emphasizing the clinical significance of modulating NLRP3.