Bonding in the superionic phase of water

The predicted superionic phase of water is investigated via ab initio molecular dynamics at densities of 2.0--3.0 g/cc (34-115 GPa) along the 2000 K isotherm. We find that extremely rapid (superionic) diffusion of protons occurs in a fluid phase at pressures between 34 and 58 GPa. A transition to a stable body-centered cubic O lattice with superionic proton conductivity is observed between 70 and 75 GPa, a much higher pressure than suggested in prior work. We find that all molecular species at pressures greater than 75 GPa are too short lived to be classified as bound states. Up to 95 GPa, we find a solid superionic phase characterized by covalent O-H bonding. Above 95 GPa, a transient network phase is found characterized by symmetric O-H hydrogen bonding with nearly 50% covalent character. In addition, we describe a metastable superionic phase with quenched O disorder.     

Persistent Chemiluminescent Glow of Phenoxy-dioxetane Luminophore Enables Unique CRET-Based Detection of Proteases

Chemiluminescence is being considered an effective imaging modality as it offers low background and high sensitivity. Recent discovery by our group has led to development of new phenoxy-dioxetane chemiluminescence luminophores, which are highly bright under physiological conditions. However, the current scope of probes based on these luminophores is limited, as they can only be turned on by phenol protecting group removal. Here we present a new chemiluminescence resonance energy transfer (CRET) system, Glow-CRET, in which light emission is triggered by proteolytic cleavage of a peptide substrate that links a dioxetane luminophore and a quencher. In order to compose such system, a new phenoxy-dioxetane luminophore, 7-HC-CL, was developed. This luminophore exhibits intense and persistent glow chemiluminescence; it undergoes very slow chemiexcitation, and it has the highest chemiluminescence quantum yield ever reported under physiological conditions. Based on 7-HC-CL, a Glow-CRET probe for matrix metalloproteinases, MMP-CL, was synthesized. Incubation of MMP-CL with its cognate protease resulted in 160-fold increase in chemiluminescence signal. MMP-CL was also able to detect matrix metalloproteinase activity in cancer cells with significantly higher signal-to-background ratio than an analogous fluorescence resonance energy transfer (FRET)-based probe. This work is expected to open new horizons in chemiluminescence imaging, as it enables to use the dioxetanes in ways that had not been possible. We anticipate that 7-HC-CL and future derivatives will be utilized not only for the construction of further Glow-CRET probes, but also for other applications, such as chemiluminescence tagging of proteins.     

Exact analysis for multiserver queueing systems with cross selling

Annals of Operations Research - Exact analysis of a multi-server Markovian queueing system with cross selling in steady-state is presented. Cross selling attempt is initiated at the end of a...     

Phase function of long helical particles at normal and oblique incidence

This paper studies characteristics of the electro-magnetic wave scattering by a long helical particle in cases of oblique incidence with different polarizations. The dependence of the resonant peaks and the phase function on the incidence angle is analyzed for different values of helix parameters. The analysis is based on the model developed by the authors and presented in previous publications.     

Functional film of ethylene vinyl acetate and co‐polyamide compound containing “Nisin” active substance

This study deals with flexible films incorporating nisin for antibacterial active packaging purposes. A novel approach was used to gain control over nisin release profile from a thermoplastic film in order to enhance its antibacterial efficiency. This approach involves polymer blends of ethylene vinyl acetate copolymer and co‐polyamide at various ratios. It was shown that the release profile of an antibacterial substance from active packaging to foodstuff is a key factor concerning the antibacterial efficiency. Samples of 400[μm] were produced by using a laboratory twin screw compounder and a laboratory hot press. Samples were characterized for their migration kinetics, molecular interactions, mechanical properties, and water swelling properties. Antibacterial activity tests show that nisin incorporated films reduced bacterial count by different extents. Listeria ATCC 33090 was used as target bacteria (data not shown). Nisin migration profile to water medium was determined by Lowry's protocol. Scanning electron microscopy images and thermal analysis indicated that no significant molecular interactions occurred. Furthermore, droplet and co‐continues like morphology were seen at different polymer blend ratios. Osmotic pressure driven release mechanism appears to be the dominant migration mechanism, and diffusion kinetics was dominant. Results show that morphology of the polymer blend matrix alters the diffusion coefficient. In addition, water swelling characterization of different samples was done in order to reveal the relations with the diffusion coefficient. It seems that there is an inverse resemblance between water swelling and the diffusion coefficient trends.     

The Lyapunov order for real matrices

The real Lyapunov order in the set of real n×n matrices is a relation defined as follows: A?B if, for every real symmetric matrix S, SB+B^tS is positive semidefinite whenever SA+A^tS is positive semidefinite. We describe the main properties of the Lyapunov order in terms of linear systems theory, Nevenlinna-Pick interpolation and convexity.