Direct acoustic profiling of DNA hybridisation using HSV type 1 viral sequences

We describe the detection of specific, conserved DNA sequences of herpes simplex virus (HSV) type 1 by means of a novel, high sensitivity acoustic biosensor. Repeated assays on planar and polymeric carboxylic acid- and biotin-presenting surface chemistries enabled statistical comparison of assay specificity and sensitivity and evaluation of assay Z-factor scores. Using a three minute hybridisation with NeutrAvidin capture for signal enhancement, it was possible to detect HSV viral nucleic acids at 5.2 x 10(-11) M concentration.     

Spectroscopic modification of the Pippard relation applied for the translational mode in ammonia solid II near the melting point

This study gives our calculation for the frequency shifts 1v partial differentialv partial differentialT(P) and the specific heat C(P) near the melting point in the ammonia solid II. We establish a linear relationship between C(P) and 1v partial differentialv partial differentialT(P) using the Raman frequencies of the translational mode which we calculated in this system. This leads to the validity of the spectroscopic modification of the first Pippard relation in the ammonia solid II near the melting point. From this linear variation of C(P) with the 1v partial differentialv partial differentialT(P) we deduce the slope values of dP(m)dT near the melting point for the fixed pressures of 3.65, 5.02 and 6.57 kbar in the ammonia solid II. They are compared with the experimental dP(m)dT values for this system.     

Novel Naphthalimide Derivatives as Selective G-Quadruplex DNA Binders

A new derivate of 4-bromo-1,8-naphthalic anhydride and its quaternized analogue have been prepared and characterized. The interactions of both derivatives with human telomere quadruplex-DNA and ds-DNA have been comparatively studied by UV-visible (UV-Vis), fluorescent intercalator displacement assays, competition dialysis, circular dichroism (CD), agarose gel electrophoresis, and polyacrylamide gel electrophoresis. The results show that both derivatives can stabilize G-quadruplexes DNA, and they show different binding affinities for G-quadruplexes-DNA and ds-DNA. All spectroscopic studies have shown that the derivatives have a modest selectivity for G-quadruplex versus ds-DNA.     

Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials,chemical hardnesses,and electrophilicity indices

The extended Koopmans' theorem (EKT) provides a straightforward way to compute ionization potentials and electron affinities from any level of theory. Although it is widely applied to ionization potentials, the EKT approach has not been applied to evaluation of the chemical reactivity. We present the first benchmarking study to investigate the performance of the EKT methods for predictions of chemical potentials (μ) (hence electronegativities), chemical hardnesses (η), and electrophilicity indices (ω). We assess the performance of the EKT approaches for post‐Hartree–Fock methods, such as Møller–Plesset perturbation theory, the coupled‐electron pair theory, and their orbital‐optimized counterparts for the evaluation of the chemical reactivity. Especially, results of the orbital‐optimized coupled‐electron pair theory method (with the aug‐cc‐pVQZ basis set) for predictions of the chemical reactivity are very promising; the corresponding mean absolute errors are 0.16, 0.28, and 0.09 eV for μ, η, and ω, respectively. © 2015 Wiley Periodicals, Inc.     

Energy,exergy and environmental assessments of biodiesel and diesel fuels for an internal combustion engine using silicon carbide particulate filter

Journal of Thermal Analysis and Calorimetry - The affiliation of the fourth author was published incorrectly.