Chemical science
Oct 5, 2020
Diagnostic ion-molecule reactions employed in tandem mass spectrometry experiments can frequently be used to differentiate between isomeric compounds unlike the popular collision-activated dissociation methodology. Selected neutral reagents, such as ...
Chemical science
Oct 2, 2020
It is intriguing how the Hammett equation enables control of chemical reactivity throughout chemical space by separating the effect of substituents from chemical process variables, such as reaction mechanism, solvent, or temperature. We generalize Ha...
Chemical science
Sep 25, 2020
Pantetheinase is an amidohydrolase that cleaves pantetheine into pantothenic acid and cysteamine. Functional studies have found that ubiquitous expression of this enzyme is associated with many inflammatory diseases. However, the lack of near-infrare...
Chemical science
Sep 17, 2020
In the past few years, there has been considerable activity in both academic and industrial research to develop innovative machine learning approaches to locate novel, high-performing molecules in chemical space. Here we describe a new and fundamenta...
Chemical science
Sep 2, 2020
While the [TO] tetrahedron packing rule leads to millions of likely zeolite structures, there are currently only 252 types of zeolite frameworks reported after decades of synthetic efforts. The subtle synthetic conditions, the structure-directing ag...
Chemical science
Aug 25, 2020
DNA methylation at cytosine/guanine dinucleotide islands (CpGIs) is the most prominent epigenetic modification in prokaryotic and eukaryotic genomes. DNA methyltransferases (MTases) are responsible for genomic methylation, and their aberrant activiti...
Chemical science
Aug 21, 2020
The use of data science tools to provide the emergence of non-trivial chemical features for catalyst design is an important goal in catalysis science. Additionally, there is currently no general strategy for computational homogeneous, molecular catal...
Chemical science
Aug 7, 2020
Cellular uptake, luminescence imaging and antimicrobial activity against clinically relevant methicillin-resistant (MRSA) bacteria are reported. The osmium(ii) complexes [Os(^)] (^ = 1-benzyl-4-(pyrid-2-yl)-1,2,3-triazole ( ); 1-benzyl-4-(pyrimidin-...
Chemical science
Jul 24, 2020
A series of cationic conjugated oligoelectrolytes (COEs) was designed to understand how variations in molecular dimensions impact the relative activity against bacteria and mammalian cells. These COEs kept a consistent distyrylbenzene framework but d...
Chemical science
Jul 3, 2020
Stability and compatibility between chemical components are essential parameters that need to be considered in the selection of functional materials in configuring a system. In configuring devices such as batteries or solar cells, not only the functi...