Determination of copper by AAS in tear fluid of patients with keratoconus.

Keratoconus (KC) is the most common degenerative corneal disease and no single biomarker for KC has been discovered. Its causes have not yet been clarified and this work aims to be a contribution to the deepening of the knowledge of this disease and a preliminary data to the evaluation of the possibility of the use of copper (Cu) concentration in the tear fluid as a specific marker. A tear fluid sampling and Cu determination by spectrometric atomic absorption method was optimized to determine Cu levels in the tear fluid of patients with KC compared to that of healthy patients.

Synthesis, spectroscopic and DFT structural characterization of two novel ruthenium(III) oxicam complexes. In vivo evaluation of anti-inflammatory and gastric damaging activities.

The reactions of ruthenium(III) chloride trihydrate with piroxicam (H2PIR) and tenoxicam (H2TEN), two widely used non-steroidal anti-inflammatory drugs, afforded [Ru(III)Cl2(H2PIR)(HPIR)],·1, and [Ru(III)Cl2(H2TEN)(HTEN)],·2. Both compounds were obtained as pure green solids through purification via flash column chromatography. Characterizations were accomplished through UV-vis and IR spectroscopy, potentiometry and HPLC.

Quantification of psychosine in the serum of twitcher mouse by LC-ESI-tandem-MS analysis.

Globoid cell leukodystrophy or Krabbe disease is an inherited autosomal recessive disorder caused by mutations in the galactosylceramidase (GALC) gene. Deficiency of GALC results in the accumulation of a highly cytotoxic metabolite galactosylsphingosine (psychosine). In the present study, we describe the development and validation of a sensitive and specific LC-ESI-tandem-MS method for the determination of psychosine in the serum of twitcher mice, the naturally occurring animal model of this disease.

LC/ESI/MS method for the quantitative detection of guazatine residues in cereals.

Guazatine is a fungicide used in agriculture to control a wide range of seed-borne diseases of cereals and other vegetable foods. In this work, a LC-ESI-MS method was developed for the quantitative detection of guazatine residues in maize and hard wheat. Quantitative data were determined for the residues of the main diamines, triamines, and tetramines that cover more than 87% of the total contents of the mixture.

Drug-protein recognition processes investigated by NMR relaxation data. A study on corticosteroid-albumin interactions.

In this paper we investigated the interaction processes occurring at the protein-solvent interface for prednisolone-albumin and prednisone-albumin systems, using an approach based on the analysis of proton selective relaxation rate enhancements of the ligand in the presence of the macromolecule. The contribution from the bound ligand fraction to the observed relaxation rate in relation to protein concentration allowed the calculation of the affinity index[A]L(T) and the normalized affinity index [AI(N)]L(T) which removes the effects of motional anisotropies and different proton densities, and isolates the contribution due to a decrease in the ligand dynamics caused by the binding with the protein. This approach allowed the comparison of the binding ability of prednisolone and prednisone towards albumin.

Synthetic polymers as biomacromolecular models for studying ligand-protein interactions: a nuclear spin relaxation approach.

In this paper, we applied an NMR methodology based on the analysis of selective spin-lattice relaxation rate enhancements of ligand protons induced by interaction processes between prednisolone and a synthetic copolymer, namely poly(N-isopropylacrylamide-co-N-acryloil-L-phenylalanine), in order to investigate this system as a model for studying drug-biomacromolecules interactions. The contribution from the bound ligand fraction to the observed relaxation rate in relation to macromolecule concentration allowed the calculation of the normalized affinity index [A(N)(I)](T)(L), in which the effects of motional anisotropies and different proton densities have been removed. This parameter, which represents the global affinity of the ligand towards the macromolecule, isolates the contribution due to a decrease in the ligand dynamics caused by the binding with the copolymer.

Solution structure of rifaximin and its synthetic derivative rifaximin OR determined by experimental NMR and theoretical simulation methods.

The solution structure of rifaximin and its derivative rifaximin OR (open ring) was determined by combining NMR experimental results, theoretical simulation of two-dimensional NMR spectra by complete relaxation matrix analysis (corma), and molecular dynamics calculations. In this study the structural rearrangements due to the opening of the aliphatic chain of rifaximin after the reduction process to form rifaximin OR were investigated. Close spatial proximity of CH(3)(14) and H28b protons detected by 2D-ROESY spectrum of rifaximin OR, which was not present in rifaximin and the down-field shift of CH(3)(34) protons in rifaximin OR (1)H spectrum were crucial to understand the structural modifications, which occurred within the system.