Mario Blanco

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Many long non-coding RNAs (lncRNAs) affect gene expression, but the mechanisms by which they act are still largely unknown. One of the best-studied lncRNAs is Xist, which is required for transcriptional silencing of one X chromosome during development in female mammals. Despite extensive efforts to define the mechanism of Xist-mediated transcriptional(More)
We propose a general approach for determining the entropy and free energy of complex systems as a function of temperature and pressure. In this method the Fourier transform of the velocity autocorrelation function, obtained from a short ͑20 ps͒ molecular dynamics trajectory is used to obtain the vibrational density of states ͑DoS͒ which is then used to(More)
The Xist long noncoding RNA orchestrates X chromosome inactivation, a process that entails chromosome-wide silencing and remodeling of the three-dimensional (3D) structure of the X chromosome. Yet, it remains unclear whether these changes in nuclear structure are mediated by Xist and whether they are required for silencing. Here, we show that Xist directly(More)
Stabilization of small increments of-sheet in aqueous solution is critical for fundamental research on protein folding preferences 1-8 and for development of biologically active small molecules. 9-11 Two different strategies for promoting double-stranded antiparallel-sheet are found among natural and synthetic peptides: side-chain linkage, usually involving(More)
Three motifs, R-helix, antiparallel-sheet, and-turn, account for most of the regular secondary structure observed in folded proteins. 1 Short peptides that adopt a defined secondary structure in solution have been used to examine the origins of R-helix 2 and-turn 3 stability, but this approach has been difficult to implement for a-sheet. 4-Hairpins, which(More)
The fundamental processes in shock-induced instabilities of materials remain obscure, particularly for detonation of energetic materials. We simulated these processes at the atomic scale on a realistic model of a polymer-bonded explosive (3,695,375 atoms/cell) and observed that a hot spot forms at the nonuniform interface, arising from shear relaxation that(More)
It is important for many industrial processes to design new materials with improved selective permeability properties. Besides diffusion, the molecule's solubility contributes largely to the overall permeation process. This study presents a method to calculate solubility coefficients of gases such as O2, H2O (vapor), N2, and CO2 in polymeric matrices from(More)
We have demonstrated a route to reversibly intercalate fluoride-anion receptor complexes in graphite via a nonaqueous electro-chemical process. This approach may find application for a rechargeable lithium–fluoride dual-ion intercalating battery with high specific energy. The cell chemistry presented here uses graphite cathodes with LiF dissolved in a(More)
Zinc dithiophosphates (ZnDTPs) are ubiquitous lubricating oil additives in today's passenger car motor oils, providing the important functions of wear and oxidation inhibition. However, the molecular-level mechanism by which these materials reduce wear is not understood. As a first step in developing an understanding of this mechanism, we used ab initio(More)
Many long non-coding RNAs (lncRNAs) affect gene expression 1 , but the mechanisms by which they act are still largely unknown 2. One of the best-studied lncRNAs is Xist, which is required for transcriptional silencing of one X-chromosome during development in female mammals 3,4. Despite extensive efforts to define the mechanism of Xist-mediated(More)