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The zinc finger structure where a Zn2+ ion binds to 4 cysteine or histidine amino acids in a tetrahedral structure is very common motif of nucleic acid binding proteins. The corresponding interaction model is present in 3% of the genes of…
Understanding the acid-base behavior of silica surfaces is critical for many nanoscience and bio-nano interface applications. Silanol groups (SiOH) on silica surfaces exhibit two acidity constants--one as acidic as vinegar--but their…
Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first principles total energies supplemented…
At present, there are strong indications that white dwarf (WD) stars with masses well below the Chandrasekhar limit (MCh ~ 1.4 Msun) contribute a significant fraction of SN Ia progenitors. The relative fraction of stable iron-group elements…
We have adsorbed plasmid PuC19 DNA on a supported bilayer. The mobility of the lipids within the bilayer ensured a 2D equilibrium of the DNA molecule. By varying the fraction of cationic lipids in the membrane, we have tuned the surface…
Under appropriate conditions, mixtures of cationic and neutral lipids and DNA in water condense into complexes in which DNA strands form local 2D smectic lattices intercalated between lipid bilayer membranes in a lamellar stack. These…
Dessart et al., demonstrated that type II supernova (SN II) model spectra present increasing metal line strength with increasing progenitor metallicity. To confront these models with observations, we obtained a large sample of SN II host…
The hydrogen peroxide is present in the living cell at small concentrations that increase under the action of the heavy ion beams in the process of anticancer therapy. The interactions of hydrogen peroxide with DNA, proteins and other…
We present a model for structure formation, melting, and optical properties of gold/DNA nanocomposites. These composites consist of a collection of gold nanoparticles (of radius 50 nm or less) which are bound together by links made up of…
The histone-DNA interaction in the nucleosome is a fundamental mechanism of genomic compaction and regulation, which remains largely unkown despite a growing structural knowledge of the complex. Here, we propose a framework for the…
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…
Spectral modelling of SNII atmospheres indicates a clear dependence of metal line strengths on progenitor metallicity. This motivates further work to evaluate the accuracy with which these SNe can be used as metallicity indicators. To…
The effects of DNA on the fluorescence of silver phycocyanin complexes were investigated. It was shown, that the fluorescence intensity of phycocyanin decreases, when silver ions are added but the following DNA addition gives rise to…
Seismology of stars is strongly developing. To address this question we have formed an international collaboration OPAC to perform specific experimental measurements, compare opacity calculations and improve the opacity calculations in the…
The structure of a single alanine-based Ace-AEAAAKEAAAKA-Nme peptide in explicit aqueous electrolyte solutions (NaCl, KCl, NaI, and KF) at large salt concentrations (3-4 M) is investigated using 1 microsecond molecular dynamics (MD)…
We present lattice QCD results for ratios of net-baryon number cumulants along the pseudo-critical line and compare them with STAR measurements from the RHIC BES-II program. The ratio of first and second order cumulants, $R_{12}^B$, agrees…
Found in all eukaryotic cells, linker histones H1 are known to bind to and rearrange nucleosomal linker DNA. In vitro, the fundamental nature of H1/DNA interactions has attracted wide interest among research communities - for biologists…
12\% (wt.) silver containing catalysts were prepared by aqueous ion-exchange of Ag$^+$ against Na$^+$ in NaA zeolite. Hydrogen reduction leads to the formation of silver clusters. The results of X-ray absorption spectroscopy experiments at…
Molecular combing is a powerful and simple method for aligning DNA molecules onto a surface. Using this technique combined with fluorescence microscopy, we observed that the length of lambda-DNA molecules was extended to about 1.6 times…
Context: Stellar evolution theory suggests that the relationship between number ratios of supernova (SN) types and metallicity holds important clues as to the nature of the progenitor stars (mass, metallicity, rotation, binarity, etc).…