The influence of the cation structure on the basicity-related polarity of ionic liquids.

UV/Vis absorption data of ()-4-(2-[5-{4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl}thiene-2-yl]vinyl)-2-(dicyano-methylene)-3-cyano-5,5-dimethyl-2,5-dihydrofuran (ThTCF) as a solvatochromic probe is applied to examine the anion coordination strength ( of N(CN), BF, PF, N(Tf), CFCOO) as a function of the cation structure of ionic liquids. Several 1--alky-3-methylimidazolium- and tetraalkylammonium CH-NR-based ILs with different -alkyl chain lengths (R = -CH, -CH, -CH, -CH) are considered. UV/Vis absorption data of ThTCF show subtle correlations with hydrogen bond accepting (HBA) ability-related measurands such as Kamlet-Taft , Freire's , and Laurence parameter as a function of anion and cation structure.

Annotation of protein residues based on a literature analysis: cross-validation against UniProtKb.

Background: A protein annotation database, such as the Universal Protein Resource knowledge base (UniProtKb), is a valuable resource for the validation and interpretation of predicted 3D structure patterns in proteins. Existing studies have focussed on point mutation extraction methods from biomedical literature which can be used to support the time consuming work of manual database curation. However, these methods were limited to point mutation extraction and do not extract features for the annotation of proteins at the residue level.