Flexible synthesis of polyfunctionalised 3-fluoropyrroles

An efficient and selective approach for the synthesis of polyfunctionalised 3-fluoropyrroles has been developed starting from commercial aldehydes. The methodology is concise, efficient and allows for the modular and systematic assembly of polysubstituted 3-fluoropyrroles. This synthesis provides an alternative and highly convergent strategy for the generation of these chemically and biologically important units

Thermodynamic phase-field model for microstructure with multiple components and phases: the possibility of metastable phases

A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition gradient energy to capture solute trapping, and is therefore suited for studying phenomena where the width of the interface plays an important role. Derivation of the inhomogeneous free energy functional from a Taylor expansion of homogeneous free energy reveals how the interfacial properties of each component and phase may be specified under a mass constraint. A diffusion potential for components was defined away from the dilute solution limit, and a multi-obstacle barrier function was used to constrain phase fractions. The model was used to simulate solidification via nucleation, premelting at phase boundaries and triple junctions, the intrinsic instability of small particles, and solutal melting resulting from differing diffusivities in solid and liquid. The shape of metastable free energy surfaces is found to play an important role in microstructure evolution and may explain why some systems premelt at phase boundaries and phase triple junctions while others do not.Comment: 14 pages, 8 figure

Short and efficient synthesis of fluorinated δ-lactams

The diastereoselective synthesis of fluorinated δ-lactams has been achieved through an efficient five step process. The route can tolerate a range of functionalities, and provides a quick route for the generation of new fluorinated medicinal building blocks

Calculating error bars for neutrino mixing parameters

One goal of contemporary particle physics is to determine the mixing angles and mass-squared differences that constitute the phenomenological constants that describe neutrino oscillations. Of great interest are not only the best fit values of these constants but also their errors. Some of the neutrino oscillation data is statistically poor and cannot be treated by normal (Gaussian) statistics. To extract confidence intervals when the statistics are not normal, one should not utilize the value for chisquare versus confidence level taken from normal statistics. Instead, we propose that one should use the normalized likelihood function as a probability distribution; the relationship between the correct chisquare and a given confidence level can be computed by integrating over the likelihood function. This allows for a definition of confidence level independent of the functional form of the !2 function; it is particularly useful for cases in which the minimum of the !2 function is near a boundary. We present two pedagogic examples and find that the proposed method yields confidence intervals that can differ significantly from those obtained by using the value of chisquare from normal statistics. For example, we find that for the first data release of the T2K experiment the probability that chisquare is not zero, as defined by the maximum confidence level at which the value of zero is not allowed, is 92%. Using the value of chisquare at zero and assigning a confidence level from normal statistics, a common practice, gives the over estimation of 99.5%.Comment: 9 pages, 6 figure