EPR spectroscopy of protein microcrystals oriented in a liquid crystalline polymer medium

Correlation of the g-tensor of a paramagnetic active center of a protein with its structure provides a unique experimental information on the electronic structure of the metal site. To address this problem, we made solid films containing metalloprotein (Desulfovibrio gigas cytochrome c(3)) microcrystals. The microcrystals in a liquid crystalline polymer medium (water/hydroxypropylcellulose) were partially aligned by a shear flow. A strong orientation effect of the metalloprotein was observed by EPR spectroscopy and polarizing optical microscopy. The EPR spectra of partially oriented samples were simulated, allowing for molecular orientation distribution function determination. The observed effect results in enhanced sensitivity and resolution of the EPR spectra and provides a new approach towards the correlation of spectroscopic data, obtained by EPR or some other technique, with the three-dimensional structure of a protein or a model compound.     

Optimized pathway selection in intraresidual triple-resonance experiments

An optimized intraresidual pulse sequence element with better sensitivity and suppression of sequential cross peaks is presented. Concatenation of three magnetization transfer delays allows their independent setting, in accordance with the relaxation properties of the individual spins, without concomitantly prolonging the pulse sequence. Additionally, implementations of the scheme to HNCA, HNCACB, and the TROSY based triple-resonance experiments are proposed. The feasibility of the new element was verified by recording HNCA and HNCACB on the small 8.6 kDa protein ubiquitin. The corresponding HNCA-TROSY experiment was tested on a larger protein, the 30.4 kDa Cel6A from the thermophilic soil bacterium Thermobifida fusca at 800 (1)H MHz.     

Robust dangerous border-collision bifurcations in piecewise smooth systems

Physical and computer experiments involving systems describable by piecewise smooth continuous maps that are nondifferentiable on some surface in phase space exhibit novel types of bifurcations in which an attracting fixed point exists before and after the bifurcation. The striking feature of these bifurcations is that they typically lead to "unbounded behavior" of orbits as a system parameter is slowly varied through its bifurcation value. This new type of border-collision bifurcation is fundamental and robust. A method that prevents such "dangerous border-collision bifurcations" is given. These bifurcations may be found in a variety of experiments including circuits.     

A suppression strategy for antibiotic discovery

High-throughput phenotype screening and target identification have been combined in an effort to isolate antimicrobial, small-molecule therapeutics. This approach, developed by Brown and colleagues and reported in this issue, is a major technological advance for antimicrobial drug discovery.     

Synthesis of a eta 2-2,3-diphosphabutadiene complex of zerovalent platinum from the corresponding eta 2-phosphaalkyne complex

Hydrozirconation of the eta 2-phosphaalkyne complex [Pt(dppe)(eta 2-tBuCP)] with [ZrHCl(eta 5-C5H5)2], followed by treatment with the chlorophosphaalkene ClP=C(SiMe3)2 affords the eta 2-2,3-diphosphabutadiene complex [Pt(dppe)(eta 2-tBuC(H)=PP=C(SiMe3)2]. In the presence of [Pt(PPh3)2] the latter undergoes an addition reaction with water to afford the structurally characterised Pt(II) complex [Pt(dppe)(tBuCH2P(O)HPC(SiMe3)2].     

Thermal conductivity of lightweight aggregate based on coal fly ash

The article presents the results of physical and chemical properties of lightweight aggregates (LWA) obtained by the thermal treatments of raw composition based on fly ash, supplied by electric plants from Serbia. The production process of LWA consists of raw material preparation, plastic shaping?Cextrusion, granulation, and thermal treatment at three temperatures: 1100, 1150, and 1200?°C. The final firing temperature (T?=?1150?°C) is chosen based on the mechanical and physical properties of the designed aggregates. The particle-size distribution of the LWAs is unimodal (d????16?mm) while the density value varies from 0.98 to 1.99?g/cm³. The water absorption values are determined by use of two methods: 24?h of soaking in cold water and 5?h of boiling. The thermal conductivity of unbound, fired LWA particles is determined by measuring the amount of axially transferred heat in the stationary state. The obtained value of the LWA thermal conductivity (???=?0.0872?W/mK, T?=?1150?°C) is suitable for the production of structural concrete blocks with improved thermal insulating properties. Because of their high-porosity and -compressive strength values, the designed LWA could be used instead of the conventional aggregates in the production of concrete blocks. Consequently, a real valorization of the waste material such as fly ash in Serbia was established.     

Consecutive customer losses in oscillating GIX/M//n systems with state dependent services rates

We address the probability that k or more Consecutive Customer Losses take place during a busy period of a queue, the so-called k-CCL probability, for oscillating GI ^X /M//n systems with state dependent services rates, also denoted as GI ^X /M(m)−M(m)//n systems, in which the service rates oscillate between two forms according to the evolution of the number of customers in the system. We derive an efficient algorithm to compute k-CCL probabilities in these systems starting with an arbitrary number of customers in the system that involves solving a linear system of equations. The results derived are illustrated for specific sets of parameters.     

Consecutive customer losses in regular and oscillating <Emphasis Type="Italic">M</Emphasis><Superscript><Emphasis Type="Italic">X</Emphasis></Superscript>/<Emphasis Type="Italic">G</Emphasis>/1/<Emphasis Type="Italic">n</Emphasis> systems

We derive fast recursions to compute the probability that k or more consecutive customer losses take place during a busy period of a queue, the so called k-CCL probability, for regular and oscillating M ^X /G/1/n systems.