Rapid liquid chromatography-ultraviolet determination of organic acids and phenolic compounds in red wine and must

A reversed-phase liquid chromatography-ultraviolet (LC-UV) method is proposed for the rapid simultaneous analysis of the main carboxylic acids and polyphenols in must and wine. Good resolution was obtained for citric, tartaric, malic, lactic, acetic, caffeic, ellagic and gallic acids, (-)-epicatechin, quercetin and resveratrol. A novel silica-based column containing ether-linked phenyl groups, with polar end-capping and suitable for low-pH aqueous mobile phases was used and found to be superior to others tested. The method employed a mixture of 0.2% TFA in water and acetonitrile as eluents, showed linearity and precision, and was applied to samples of must and wine.     

Mass-spectrometric studies on alkylated 6-thiopurines

6-Thiopurine and its N- or C-alkyl derivatives all form an [M – 1]-ion upon fragmentation. In the 7-alkyl derivatives, this ion represents the major component of the spectrum. This is ascribed to formation of a five-membered thiazoline-like ring. Similar ring formation stabilises the [M – 1]-ion in the 7-methyl derivatives of hypoxanthine, adenine and 6-selenopurine.     

Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

We present a chemical strategy to engineer analogs of the tumor-homing peptide CREKA (Cys-Arg-Glu-Lys-Ala), which binds to fibrin and fibrin-associated clotted plasma proteins in tumor vessels (Simberg et al. in Proc Natl Acad Sci USA 104:932–936, 2007) with improved ability to inhibit tumor growth. Computer modeling using a combination of simulated annealing and molecular dynamics were carried out to design targeted replacements aimed at enhancing the stability of the bioactive conformation of CREKA. Because this conformation presents a pocket-like shape with the charged groups of Arg, Glu and Lys pointing outward, non-proteinogenic amino acids α-methyl and N-methyl derivatives of Arg, Glu and Lys were selected, rationally designed and incorporated into CREKA analogs. The stabilization of the bioactive conformation predicted by the modeling for the different CREKA analogs matched the tumor fluorescence results, with tumor accumulation increasing with stabilization. Here we report the modeling, synthetic procedures, and new biological assays used to test the efficacy and utility of the analogs. Combined, our results show how studies based on multi-disciplinary collaboration can converge and lead to useful biomedical advances.