Hamstring muscle injuries are frequent in different sports and are a clinical challenge for Sports Medicine Teams. Injury Mechanics are import to know while assessing the injured athlete. There are at least two distinctly different types of acute hamstring injuries, which are best distinguished by the different injury situations. Classifying the severity of the injury is equally important. Acti...

NAD+-dependent formate dehydrogenase (FDH) from Candida boidinii was cloned and expressed to a high level in Escherichia coli (20% of soluble E. coli protein). Molecular modelling studies were used to create a three-dimensional model of C. boidinii FDH, based on a known structure of the Pseudomonas sp. 101 enzyme. This model was used for investigating the catalytic mechanism by site-directed mu...

BACKGROUND Cyanoform is long known as one of the strongest acid. Cyanoform is only stable below -40 °C. The issue of the stability and tautomeric equilibria of cyanoform (CF) are investigated at the DFT and MP2 levels of theory. The present work presents a detailed study of structural tautomer interconversion in three different media, namely, in the gas phase, in a solvent continuum, and in a m...

Quantum chemistry calculations have been performed to compute optimized geometry, Mulliken charges, harmonic vibrational frequency along with intensities in IR at HF/6-311++G(d,p) and B3LYP/6-311++G(d,p) level for N-(1,3,4-thiadiazol-2-yl)-1-[1-(6-chloropyridin-3-yl)methy]-5-methyl-1-H-[1,2,3]triazol-4-carboxamide (C12H10ClN7OS) in the ground state. Theoretical vibrational spectra of the title ...

We have identified specific iron (Fe) chelators of the pyridoxal isonicotinoyl hydrazone (PIH) class that are far more effective ligands than desferrioxamine (DFO; Richardson et al, Blood 86:4295, 1995; Richardson and Milnes, Blood 89: 3025, 1997). In the present study, we have compared the effect of DFO and one of the most active chelators (2-hydroxy1-naphthylaldehyde isonicotinoyl hydrazone; ...

Aut(C) = {analytic bijections f : C −→ C}. Any automorphism of the plane must be conformal, for if f ′(z) = 0 for some z then f takes the value f(z) with multiplicity n > 1, and so by the Local Mapping Theorem it is n-to-1 near z, impossible since f is an automorphism. By a problem on the midterm, we know the form of such automorphisms: they are f(z) = az + b, a, b ∈ C, a 6= 0. This description...

where f : R+ → R is a convex function satisfying f(1) = 0. If f is not linear, then Df (P ||Q) > 0 unless P = Q. b. Focusing on binary classification case, let us consider some example risks and see what connections they have to f -divergences. (Recall we have X ∈ X and Y ∈ {−1, 1} we would like to classify.) 1. We require a few definitions to understand the performance of different classificat...

Distributions of Coulomb blockade peak spacing are reported for large ensembles of both unbroken (magnetic field B = 0) and broken (B ≠ 0) time reversal symmetry in GaAs quantum dots. Both distributions are symmetric and roughly gaussian with a width ~ 2–6% of the average spacing, with broad, non-gaussian tails. The distribution is systematically wider at B = 0 by a factor of ~ 1.2 ± 0.1. No ev...

Raman and FTIR spectra of nicotinic acid have been analysed using ab-initio and DFT calculations. Four stable structures were found for nicotinic acid, the structures differ in orientation of COOH with respect to the nitrogen atom. The optimized geometries, harmonic vibrational wave number, structural parameters and intensities of the nicotinic acid have been calculated using MP2/6-311++G(d,p),...