Evaluating diagnostic accuracy of anti-tissue Transglutaminase IgA antibodies as first screening for Celiac Disease in very young children.

BACKGROUND: Small bowel biopsy is the gold standard for Celiac Disease (CD) diagnosis, nevertheless serum assays are the first step in ascertaining a diagnosis of CD. New ESPGHAN Criteria 2012 (European Society of Pediatric Gastroenterology Hepatology and Nutrition) suggest using exclusively anti-tissue Transglutaminase IgA antibodies (anti-tTGA) as initial approach to symptomatic subjects. The aim of our study was to evaluate the diagnostic accuracy of anti-tTGA as initial screening assay for CD in a large cohort of pediatric patients. METHODS: We selected 730 subjects aged between 6 months and 4 years ("Group A") and 348 subjects younger than 2 years (which are part of the 730 subjects) ("Group B"). We performed anti-Deamidated Gliadin Peptides IgA and IgG antibodies (a-DGP IgA/IgG) and anti-tTGA assays by ELISA test. We evaluated the agreement between anti-tTGA and a-DGP IgA/IgG assays and compared the diagnostic accuracy of a-DGP IgA/IgG with that of anti-tTGA in both groups of patients. RESULTS: There was a substantial agreement between anti-tTGA and a-DGP IgA in "Group A" and an almost perfect agreement in "Group B"; the strength of agreement between anti-tTGA and a-DGP IgG was moderate in "Group A" and substantial in "Group B". anti-tTGA were more sensitive and specific than a-DGP IgA/IgG in both groups. CONCLUSIONS: anti-tTGA could be used as initial screening assay for CD in all subjects from 6 months of age according to ESPGHAN Criteria 2012.

Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region.

The two-photon absorption (TPA) properties of two extended symmetric squaraine dyes are thoroughly characterized from the experimental and quantum-chemical point of view. The two molecules are specially engineered to have a multipolar structure with increasing complexity, D-π-A-π-D and A'-π-D-π-A-π-D-π-A', respectively. The experimental TPA spectra, measured by means of the Z-scan technique in the femtoseconds regime, display considerably high values of TPA cross sections (σ(TPA)) for both molecules. In particular, the squaraine with the more extended structure shows the highest value of σ(TPA) ever reported for this class of molecules. CIS and TDDFT calculations of the one and two-photon absorption properties are carried out to clarify the origin of the observed TPA properties and fully characterize the electronic properties of these compounds. The calculations, in good agreement with the experimental data, suggest that the origin of this exceptionally high σ(TPA) can be ascribed to the presence of a peripheral A' group, that increases the density of excited states involved in the TPA process.

A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field.

We present a dissipative particle dynamics (DPD) approach for simulating the realignment of a nematic nanodroplet suspended in an isotropic fluid following a switch in the direction of an applied external magnetic field. The interaction of the mesogens with the external field is weak relative to the inter-molecular interactions. The simulations were used to investigate the way orientational equilibrium is re-established. The results reveal that the realignment process of the nanodroplet is consistent with its fluid structure. The reorientation of the nanodroplet as a whole is found to be caused by an internal structural rearrangement rather than a coherent rotation of the centres of mass of the mesogens about the centre of the nanodroplet. The switch in the field direction furthermore is found to induce a transient spatial variation in the orientational order of the long axes of the mesogens: the orientational order parameters decreases on moving from the core of the nanodroplet to the surface in contact with the isotropic environment. The results highlight differences between the time evolution of the orientation of the long molecular axes in the field and the rotations of the centres of mass of the mesogens about the centre of the nanodroplet.

Simulations of flow-induced director structures in nematic liquid crystals through leslie-ericksen equations. I. Computational methodology in two dimensions

A computational treatment of the constitutive equations of nematodynamics, based on the Leslie-Ericksen approach, is presented and discussed for a rotating planar nematic sample subjected to a constant magnetic field. The dynamics of the velocity v and director n fields is taken into account exactly. Coupled partial differential equations suitable to be solved numerically are worked out, in terms of derived functionals of v and n and of their spatial and time derivatives. Time-dependent patterns of the director are obtained using a finite-difference scheme in a spatial polar grid. Several experimental situations are analyzed, corresponding to common experimental setups: continuously rotating samples for different values of the rotational speed; 30 degrees and 90 degrees step-rotation experiments. A comparison is made to existing approximate treatments. Dependence upon the sample dimension is also discussed.

Simulations of flow-induced director structures in nematic liquid crystals through leslie-ericksen equations. II. Interpretation Of NMR experiments in liquid crystal polymers

Computationally exact and approximate solutions of the Leslie-Ericksen equations for nematic liquid crystals in two dimensions are employed to calculate director distributions in cylindrical samples, rotating under the influence of a magnetic field. In particular, the time evolution of systems prepared initially in metastable states with respect to the magnetic field is investigated, and calculated director distributions are used to interpret rheo-NMR experiments in nematic liquid crystal polymers.