Partitioning of natural radionuclides in sediments around a former uranium mine and mill

Partitioning of natural radionuclides in sediments from streams affected by the waste piles of the former uranium mine and mill located at ?irovski vrh, Slovenia, was performed by applying a sequential extraction procedure. The sediments were collected at three sites located upstream and three sites located downstream of the waste piles. Then the four-step Community Bureau of Reference (BCR) sequential extraction protocol was applied to the samples and the natural radionuclides ²³⁸U, ²³⁰Th, ²²⁶Ra, ²¹⁰Pb and ²¹⁰Po were analysed in each extraction fraction. It was expected that the fractionation of natural radionuclides originating from the waste piles would differ from that upstream of the influence of waste piles because their chemical environment had been altered during the processes of uranium extraction. This difference could allow tracing of the radionuclides coming from the waste piles downstream of the affected watercourses. The results definitely showed that the total activity concentrations at sites downstream of the influence of the waste piles were higher than at sites upstream of the piles. However, this difference was geographically very limited and could no longer be detected already at a distance of about 5 km downstream. Unexpectedly, the fractionation of radionuclides upstream and downstream of the area of influence of the waste piles did not appear to be significantly altered. The sole differences found were for ²³⁸U and ²²⁶Ra in the second fraction (the “Fe/Mn oxides” fraction) and for ²¹⁰Po in the fourth fraction (the “residue” fraction) of the BCR sequential extraction protocol.     

Note on list star edge-coloring of subcubic graphs

A star edge-coloring of a graph is a proper edge-coloring without bichromatic paths and cycles of length four. In this paper, we consider the list version of this coloring and prove that the list star chromatic index of every subcubic graph is at most 7, answering the question of Dvořák et al (J Graph Theory, 72 (2013), 313-326).     

Phage display: selecting straws instead of a needle from a haystack

An increasing number of peptides with specific binding affinity to various protein and even non-protein targets are being discovered from phage display libraries. The power of this method lies in its ability to efficiently and rapidly identify ligands with a desired target property from a large population of phage clones displaying diverse surface peptides. However, the search for the needle in the haystack does not always end successfully. False positive results may appear. Thus instead of specific binders phage with no actual affinity toward the target are recovered due to their propagation advantages or binding to other components of the screening system, such as the solid phase, capturing reagents, contaminants in the target sample or blocking agents, rather than the target. Biopanning experiments on different targets performed in our laboratory revealed some previously identified and many new target-unrelated peptide sequences, which have already been frequently described and published, but not yet recognized as target-unrelated. Distinguishing true binders from false positives is an important step toward phage display selections of greater integrity. This article thoroughly reviews and discusses already identified and new target-unrelated peptides and suggests strategies to avoid their isolation.     

Peptide phage display as a tool for drug discovery: targeting membrane receptors

Ligands selected from phage-displayed random peptide libraries tend to be directed to biologically relevant sites on the surface of the target protein. Consequently, peptides derived from library screenings often modulate the target protein's activity in vitro and in vivo and can be used as lead compounds in drug design and as alternatives to antibodies for target validation in both genomics and drug discovery. This review discusses the use of phage display to identify membrane receptor modulators with agonistic or antagonistic activities. Because isolating or producing recombinant membrane proteins for use as target molecules in library screening is often impossible, innovative selection strategies such as panning against whole cells or tissues, recombinant receptor ectodomains, or neutralizing antibodies to endogenous binding partners were devised. Prominent examples from a two-decade history of peptide phage display will be presented, focusing on the design of affinity selection experiments, methods for improving the initial hits, and applications of the identified peptides.     

Unusual dynamic behavior in the isotropic phase of banana mesogens detected by 2H NMR line width and T2 measurements

In this work the first experimental observation of a peculiar behavior in the isotropic phase of liquid crystals by means of 2H NMR is reported. In particular, two five-ring banana-shaped mesogens, the 1,3-phenylenebis{4,4'-(11-undecenyloxy)benzoyloxy}benzoate (Pbis11BB) and its 4-chloro homologue (ClPbis11BB), selectively deuterium labeled on their central rings, are the subject of our investigation. The dynamic behavior of the two liquid crystals was studied in their isotropic phases and in the nematic phase of ClPbis11BB by means of 2H NMR line width and spin-spin relaxation time (T2) analysis. The results obtained reveal that the unusual line broadening observed in the 2H NMR spectra in the isotropic phase, even far above the isotropic phase-mesophase transition, has a homogeneous nature, thus indicating the presence of reorientational motions much slower than in conventional isotropic liquid-crystalline phases.     

Flexible-attribute problems

Problems with significant input-data uncertainty are very common in practical situations. One approach to dealing with this uncertainty is called scenario planning, where the data uncertainty is represented with scenarios. A scenario represents a potential realization of the important parameters of the problem.     

Regioregular pyridal[2,1,3]thiadiazole π-conjugated copolymers

π-Conjugated, narrow band gap copolymers containing pyridal[2,1,3]thiadiazole (PT) were synthesized via starting materials that prevent random incorporation of the PT heterocycles relative to the backbone vector. Two regioregular structures could be obtained: in one the PTs are oriented in the same direction, and in the other the orientation of the PTs alternates every other repeat unit. Compared to their regiorandom counterparts, the regioregular polymers exhibit a 2 orders of magnitude increase of the hole mobilites, from 0.005 to 0.6 cm(2) V(-1) s(-1), as determined by field-effect transistor measurements.     

A Photosensitive Liquid Crystal Studied by 14N NMR, 2H NMR,and DFT Calculations

An azobenzene derivative, namely diheptylazobenzene, showing the nematic and smectic A liquid crystalline phases, was investigated by means of a combined approach based on NMR and DFT calculations. ¹⁴N NMR quadrupole‐ and chemical‐shift‐perturbed spectra were acquired in the whole mesophasic range, providing both experimental quadrupolar splittings and chemical shift anisotropy values. On the same mesogen, deuterium labelled at the α‐position of the hydrocarbon chain, ²H NMR quadrupole‐perturbed spectra were recorded. The analysis of these NMR data was performed with the help of ab initio calculations, in vacuo and by taking into account the effect of the anisotropic environment typical of liquid crystals, by using the IEF‐PCM model. The geometry optimizations of the azomesogen in the trans and cis configurations were performed by DFT calculations employing the combination of B3LYP functional with the 6‐311G(d) basis set. The analysis of experimental NMR data was performed by considering the trans configuration as the most populated one and the corresponding quadrupolar tensors and chemical shielding tensors were determined at the DFT level of theory. The main result of this work is the determination of a relatively high and temperature‐dependent molecular biaxiality of the trans state of this azomesogen.