Particle-based crystallization is an important pathway to synthesize advanced materials with complex structures. Unlike monomer-by-monomer addition or Ostwald ripening, particle-based crystallization occurs via particle-by-particle addition to form larger crystals. This chapter reviews the...

The theoretical prediction of x-ray absorption spectra (XAS) has become commonplace in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until...

Christine H Chang, William C Nelson, Abby Jerger, Aaron T Wright, Robert G Egbert, Jason E McDermott, Snekmer: a scalable pipeline for protein sequence fingerprinting based on amino acid recoding, Bioinformatics Advances , Volume 3, Issue 1, 2023, vbad005, https://doi.org/10.1093/bioadv/vbad005...

Metabolite exchange between plant roots and their associated rhizosphere microbiomes underpins plant growth promotion by microbes. Sorghum bicolor is a cereal crop that feeds animals and humans and is used for bioethanol production. Its root tips exude large amounts of a lipophilic benzoquinone...

A major challenge in biotechnology and biomanufacturing is the identification of a set of biomarkers for perturbations and metabolites of interest. Here, we develop a data-driven, transcriptome-wide approach to rank perturbation-inducible genes from time-series RNA sequencing data for the discovery...

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets...

In highly alkaline “water-in-salt” Na2O/Al2O3/H2O solutions where the monomeric Al(OH)4– anion dominates, isolation of transitional species that seed crystallization of sodium aluminate salt hydrates has been challenging. For example, discrimination of dimeric [for example, Al2O(OH)62–] species via...