Unveiling interactions between DNA and cytotoxic 2-arylpiperidinyl-1,4-naphthoquinone derivatives: A combined electrochemical and computational study

Indexación: Scopus.Three 2-arylpiperidinyl-1,4-naphthoquinone derivatives were synthesized and evaluated in vitro to determine their cytotoxicity on cancer and normal cell lines. In order to establish their possible action mechanism, the electrochemical behaviour of these quinones was examined using cyclic voltammetry (CV) as technique by using a three-electrode setup: a glassy carbon, Ag/AgCl (in 3 M KCl), and platinum wire as working, reference, and counter electrodes, respectively. Kinetic studies were done to determine the control of the reduction reaction and the number of transferred electrons in the process. Furthermore, the addition of dsDNA to the quinone solutions allowed for the observation of an interaction between each quinone and dsDNA as the current-peaks became lower in presence of dsDNA. Otherwise, motivated to support the aforementioned results, electronic structure calculations at the TPSS-D3/6-31+G(d,p) level of theory were carried out in order to find the most favourable noncovalently bonded complexes between quinones and DNA. Noncovalent complexes formed between DNA and 2-arylpiperidinyl-1,4-naphthoquinones and stabilized by π-stacking interactions along with the well-known hydrogen-bonded complexes were found, with the former being more stable than the latter. These results suggest that the intercalation of these quinone derivatives in DNA is the most likely action mechanism. © 2018 King Saud Universityhttps://www.sciencedirect.com/science/article/pii/S1878535218300893?via%3Dihu

Modelling the Influence of Layout On Overheating Risk of London Flats

An analysis of overheating levels corresponding to building morphology yielded the modelling uncertainty due to the geometry and layout of two-bedroom flats in London, England. A new method is introduced, which collates information on various flat layouts in the current London housing stock. To ensure an unbiased sample was selected, dwellings were chosen randomly, yielding twelve flats in and around inner London. Dynamic thermal simulations were performed using EnergyPlus to determine individual dwellings’ overheating risk. The results described the influence of geometry and layout configuration on overheating risk, which has rarely been analysed in previous studies. Irregular façades led to higher overheating levels in the set-back part of the building. Default configurations were used to model basecase archetypes, with further simulations performed to study the effects of orientation, ceiling heights and window glazing fractions. Compared with these factors, bigger differences between mean operative temperatures of flats were due to layout, with 3.5 °C in bedrooms, 1.5 °C in living rooms and 2.2 °C in kitchens

Generation Expansion Models including Technical Constraints and Demand Uncertainty

This article presents a Generation Expansion Model of the power system taking into account the operational constraints and the uncertainty of long-term electricity demand projections. The model is based on a discretization of the load duration curve and explicitly considers that power plant ramping capabilities must meet demand variations. A model predictive control method is used to improve the long-term planning decisions while considering the uncertainty of demand projections. The model presented in this paper allows integrating technical constraints and uncertainty in the simulations, improving the accuracy of the results, while maintaining feasible computational time. Results are tested over three scenarios based on load data of an energy retailer in Colombia

Resummation Methods at Finite Temperature: The Tadpole Way

We examine several resummation methods for computing higher order corrections to the finite temperature effective potential, in the context of a scalar $\phi^4$ theory. We show by explicit calculation to four loops that dressing the propagator, not the vertex, of the one-loop tadpole correctly counts ``daisy'' and ``super-daisy'' diagrams.Comment: 18 pages, LaTeX, CALT-68-1858, HUTP-93-A011, EFI-93-2

PHOEBE 2.0 – Where no model has gone before

phoebe 2.0 is an open source framework bridging the gap between stellar observations and models. It allows to create and fit models simultaneously and consistently to a wide range of observational data such as photometry, spectroscopy, spectrapolarimetry, interferometry and astrometry. To reach the level of precision required by the newest generation of instruments such as Kepler, GAIA and the arrays of large telescopes, the code is set up to handle a wide range of phenomena such as multiplicity, rotation, pulsations and magnetic fields, and to model the involved physics to a new level

Complete two-loop effective potential approximation to the lightest Higgs scalar boson mass in supersymmetry

I present a method for accurately calculating the pole mass of the lightest Higgs scalar boson in supersymmetric extensions of the Standard Model, using a mass-independent renormalization scheme. The Higgs scalar self-energies are approximated by supplementing the exact one-loop results with the second derivatives of the complete two-loop effective potential in Landau gauge. I discuss the dependence of this approximation on the choice of renormalization scale, and note the existence of particularly poor choices which fortunately can be easily identified and avoided. For typical input parameters, the variation in the calculated Higgs mass over a wide range of renormalization scales is found to be of order a few hundred MeV or less, and is significantly improved over previous approximations.Comment: 5 pages, 1 figure. References added, sample test model parameters listed, minor wording change

Scale-independent mixing angles

A radiatively-corrected mixing angle has to be independent of the choice of renormalization scale to be a physical observable. At one-loop in MS-bar, this only occurs for a particular value, p*, of the external momentum in the two-point functions used to define the mixing angle: p*^2=(M1^2+M2^2)/2, where M1, M2 are the physical masses of the two mixed particles. We examine two important applications of this to the Minimal Supersymmetric Standard Model: the mixing angle for a) neutral Higgs bosons and b) stops. We find that this choice of external momentum improves the scale independence (and therefore provides a more reliable determination) of these mixing angles.Comment: 14 pages, 11 ps figures Version to appear in PR

Skyrmion Multi-Walls

Skyrmion walls are topologically-nontrivial solutions of the Skyrme system which are periodic in two spatial directions. We report numerical investigations which show that solutions representing parallel multi-walls exist. The most stable configuration is that of the square $N$-wall, which in the $N\to\infty$ limit becomes the cubically-symmetric Skyrme crystal. There is also a solution resembling parallel hexagonal walls, but this is less stable.Comment: 7 pages, 1 figur

Calculable Upper Limit on the Mass of the Lightest Higgs Boson in Any Perturbatively Valid Supersymmetric Theory

We show that there is a calculable upper limit on the mass of the lightest Higgs boson in any supersymmetric theory that remains perturbative up to a high scale . There are no restrictions on the Higgs sector, or the gauge group or particle content. We estimate the value of the upper limit to be m_{\hcirc} < 146 GeV for 100 GeV < $M_t$ < 145 GeV, from all effects except possibly additional heavy fermions beyond top (which could increase the limit by 0-20 GeV if any existed); for $M_t$ > 145 GeV the limit decreases monotonically. We expect to be able to decrease the value of the upper limit by at least a few percent by very careful analysis of the conditions. It is not normal in models for the actual mass to saturate the upper limit.Comment: 8 pages, UM-TH-92-24, Plain TeX. (One table available by fax on request to [email protected]