Fine-tunable monodentate phosphoroamidite and aminophosphine ligands for Rh-catalyzed asymmetric hydroformylation

A biaryl-based monophosphoroamidite L1–L4a–f and aminophosphine L5–L7a–f ligand library was screened in the Rh-catalyzed asymmetric hydroformylation of several vinylarenes and heterocyclic olefins. Our results indicate that the selectivity is strongly dependent on the ligand parameters and on the substrate type. Enantioselectivities (up to 46%) were moderate in the hydroformylation of several vinylarenes S1–S5 and promising (up to 58%) for the more challenging heterocyclic olefins S6–S9.     

Parametric processes in microstructured and highly nonlinear optical fibres

Optical parametric amplification is an important nonlinear process in photonic crystal fibres driven by the small effective area and the special dispersion characteristics of these fibres. Aside from its role in supercontinuum generation, parametric amplification can lead to efficient wavelength conversion, limited primarily by the uniformity of the diameter of currently available fibres. The related Bragg scattering process can be used for both wavelength conversion and optical switching, again limited by the physical characteristics of the fibres used.     

Advantages of Adaptive Speckle Filtering Prior to Application of Iterative Deconvolution Methods for Optical Coherent Tomography Imaging

The axial resolution of optical coherence tomography (OCT) is closely related to the light source spectrum width. Unfortunately, most basic sources providing the required power for decent OCT image have narrow spectra, which generate a resolution loss. Assuming the OCT system is linear shift-invariant, we can consider the system output as the convolution of the theoretical signal with a system impulse response due to this spectrum narrowness. It becomes then possible to enhance this resolution through iterative deconvolution methods (IDM). However those methods have a significant drawback, as they usually significantly enhance speckle, which is another consequence of the source spectrum narrowness. To compensate this, we rely on preliminary speckle filtering, and especially the adaptative ones, which allow tackling the speckle without blurring the image. We first studied enhancement proposed by most popular IDMs on OCT images, and then the effect of preliminary adaptive speckle filtering (ASF) by different common adaptive methods. Then, among those methods, we combined Frost filter and Richardson-Lucy deconvolution in the appropriated way; this way we both enhanced resolution by 2 and reduced speckle (raising CNR from 0.7 to 1.3)     

A comparison of neighbor search algorithms for large rigid molecules

Fast determination of neighboring atoms is an essential step in molecular dynamics simulations or Monte Carlo computations, and there exists a variety of algorithms to efficiently compute neighbor lists. However, most of these algorithms are general, and not specifically designed for a given type of application. As a result, although their average performance is satisfactory, they might be inappropriate in some specific application domains. In this article, we study the case of detecting neighbors between large rigid molecules, which has applications in, e.g., rigid body molecular docking, Monte Carlo simulations of molecular self-assembly or diffusion, and rigid body molecular dynamics simulations. More precisely, we compare the traditional grid-based algorithm to a series of hierarchy-based algorithms that use bounding volumes to rapidly eliminate large groups of irrelevant pairs of atoms during the neighbor search. We compare the performance of these algorithms based on several parameters: the size of the molecules, the average distance between them, the cutoff distance, as well as the type of bounding volume used in the culling hierarchy (AABB, OBB, wrapped, or layered spheres). We demonstrate that for relatively large systems (> 100,000 atoms) the algorithm based on the hierarchy of wrapped spheres shows the best results and the traditional grid-based algorithm gives the worst timings. For small systems, however, the grid-based algorithm and the one based on the wrapped sphere hierarchy are beneficial.     

Specific detection of Campylobacter jejuni using the bacteriophage NCTC 12673 receptor binding protein as a probe

Campylobacter jejuni is found in the intestines of poultry, cattle, swine, wild birds and pet animals and is the major cause of foodborne gastroenteritis in developed countries. We report the use of the receptor binding protein (RBP) of Campylobacter bacteriophage NCTC 12673 for the specific capture of Campylobacter jejuni bacteria using RBP-derivatized capturing surfaces. The Gp48 RBP was expressed as a glutathione S-transferase-Gp48 (GST-Gp48) fusion protein and immobilized onto surface plasmon resonance (SPR) surfaces using glutathione self-assembled monolayers (GSH SAM). Bovine serum albumin (BSA) was used to block any non-specific binding. Glutathione SAM leads to an oriented attachment of the protein, resulting in a two- to three-fold improvement of bacterial capture when compared to dithiobis(succinimidyl propionate) (DTSP) SAM-based unoriented attachment. The specificity of recognition was confirmed using Salmonella enterica subsp. enterica serovar Typhimurium as a negative control, which indeed showed negligible binding. The detection limit of the RBP-derivatized SPR surfaces was found to be 10(2) cfu/ml. Finally, GST-Gp48 was also immobilized onto magnetic beads that were successfully used to capture and pre-concentrate the host pathogen from suspension.     

Influence of the aspect ratio on boiling flows in rectangular mini-channels

This article presents experiments conducted with two single rectangular mini-channels of same hydraulic diameter (1.4 mm) and different aspect ratios for conditions of horizontal boiling flow. The Forane® 365 HX used was subcooled (ΔT_sub = 15 °C) for all the boiling curves presented in the paper. Local heat transfer coefficients were measured for heat flux ranging from 25 to 62 kW m⁻² and mass flux from 200 kg m⁻² s⁻¹ to 400 kg m⁻² s⁻¹. The boiling flows were observed with two different cameras (depending on the flow velocity) through a visualization window. The flow patterns in the two channels were compared for similar conditions. The results show that the boiling heat transfer coefficient and the pressure drop values are different for the two single mini-channels. For low heat flux condition, the channel with lowest aspect ratio (H/W = 0.143) has a higher heat transfer coefficient. On the other hand, for high heat flux condition, the opposite situation occurs, namely the heat transfer coefficient becomes higher for the channel with highest aspect ratio (H/W = 0.43). This is probably due to the earlier onset of dryout in the channel with lowest aspect ratio. For the two cases of heating, the pressure drop for the two-phase flow remains lower for the channel with lowest aspect ratio. These results show that the aspect ratio plays a substantial role for boiling flows in rectangular channels. As for single-phase flows, the heat transfer characteristics are significantly influenced (even though the hydraulic diameter remains the same) by this parameter.     

Compression of volume and lattice parameters of 2H-CsCdBr3 under high pressure

Abstract

Powder x-ray diffraction experiments have been performed on 2H-CsCdBr₃. at room temperature up to 25 GPa. At normal pressure this compound shows unidimensional electronic properties. Such unidimensional behaviour is not evident in terms of elastic bulk properties under pressure. No phase transformation occurs in this pressure range. The a and c lattice parameters steadily decrease with pressure; their ratio lowers by only 2% up to 25 GPa. The bulk modulus is low, 21.2 GPa, and is in very good agreement with the bulk modulus-volume systematics for ionic compounds. The value of the first pressure derivative is also typical of ionic compounds.     

Recursive undecidability of the binding property for finitely presented equational classes

It is shown that there exists no algorithm which, given a finite presentation of an equational classC, decides whether the category of algebras inC is binding.     

A new 400 ms isomer in125Ce→125La

By using the IGISOL technique, adapted for the study of products of heavy ion induced fusion-evaporation reactions, it has been possible to identify a new isomer in the mass chainA=125.     

Quantitative measurement of the Brönsted acid sites in solid acids: toward a single-site design of Mo-modified ZSM-5 zeolite

On the basis of our previous H/D exchange studies devoted to the quantification of the number of Br?nsted acid sites in solid acids, we report here an innovative approach to determine both the amount and the localization of Mo atoms inside the Mo/ZSM-5 catalyst, commonly used for the methane dehydroaromatization reaction. The influence of Mo introduction in the MFI framework was studied by means of BET, X-ray diffraction, 27Al magic angle spinning NMR, NH3 temperature-programmed desorption, and H/D isotopic exchange techniques. A dependence was found between the decrease of acidic OH groups and the Mo content. Depending on the Si/Al ratio of the zeolite, i.e., the proximity of two Br?nsted acid sites, the Mo atoms substitute a different number of OH groups. Consequently, a chemical structure was proposed to describe the geometry of the Mo complex in the channels of the ZSM-5 zeolite.