Soy-tomato enriched diet reduces inflammation and disease severity in a pre-clinical model of chronic pancreatitis.

Chronic pancreatitis (CP) is a fibro-inflammatory syndrome in individuals who develop persistent pathological responses to parenchymal injury or stress. Novel therapeutic or dietary interventions that could lessen inflammation in this disease could significantly improve quality of life in patients with CP. Complex dietary foods like soy and tomatoes are composed of active metabolites with anti-inflammatory effects.

An altered tissue distribution of flaxseed lignans and their metabolites in Abcg2 knockout mice.

Lignans are dietary polyphenols, which are metabolized by gut microbiota into the phytoestrogenic metabolites enterolignans, mainly enterolactone and enterodiol. Breast Cancer Resistance Protein (BCRP/ABCG2) is an efflux transporter that affects the plasma and milk secretion of several drugs and natural compounds. We hypothesized here that Abcg2 could influence the levels of lignans and their derived metabolites in target tissues.

Molecular dynamics simulation of double proton transfer: adenine-thymine base pair.

Molecular dynamics of proton transfer was simulated from normal (N) to tautomeric (T) form of the base pair (bp) adenine-thymine (A-T). The results for the model system, consisting of one A-T base pair in SPC/E water, was analysed in terms of its hydration properties, difference on free energy, conformational changes, and magnetic properties. It is suggested that during proton transfer the base pair remains on the same conformational state.

The tautomeric conformers for the molecules of guanine and cytosine. Some remarks about their stability.

In this paper we seek to determine the shape of the barrier between the normal and tautomeric conformers for some excited singlet and triplet states in the molecules of guanine and cytosine. The molecules as considered isolated and a particular movement of the H atom is analysed. The semi-empirical CNDO/2-CI has been used.

The adenine and thymine molecules. Some excited singlet and triplet levels of the normal and tautomeric forms.

The shape of the barrier for the H transfer between the normal and tautomeric forms have been determined for the adenine and thymine molecules. The correlations for several singlet and triplet states has been calculated using the CNDO/2-CI method. The relative stability between both conformations and the agreement with some experimental values is also discussed.