Response matrix of an extended range Bonner sphere spectrometer for the characterization of collimated neutron beams

Accelerator-based neutron beams are becoming popular tools for material testing, radiation hardness and soft errors studies. The characterization of these beams in terms of dosimetric and spectrometric quantities is a challenging task, mainly due to their wide energy interval (from thermal up to hundreds MeV) and, in certain facilities like VESUVIO @ ISIS (RAL, UK), to their small dimension (few cm in radius). Extended Range Bonner Sphere Spectrometers (ERBSS) would be a valuable tool, due to their wide energy range, good photon discrimination and possibility to choose among different central detectors according to the intensity, photon component and time structure of the field. Nevertheless, the non-uniform irradiation of the spheres could lead to important systematic errors. With the aim of bringing the advantages of ERBSS into the characterization of collimated beams, a dedicated study was performed using the VESUVIO spallation-based collimated beam at ISIS (Rutherford Appleton Laboratory, Oxford). Here a 3.21 cm radius collimated beam was characterized using a Dysprosium activation foil-based ERBSS whose response matrix was recalculated for this specific beam diameter. Besides the results of the experimental campaign, this paper presents the calculation of the response matrix and its dependence on the beam dimension.     

Multimodal imaging: an evaluation of univariate and multivariate methods for simultaneous EEG/fMRI

The combination of electroencephalography (EEG) and functional magnetic resonance imaging (fMRI) has been proposed as a tool to study brain dynamics with both high temporal and high spatial resolution. Multimodal imaging techniques rely on the assumption of a common neuronal source for the different recorded signals. In order to maximally exploit the combination of these techniques, one needs to understand the coupling (i.e., the relation) between electroencephalographic (EEG) and fMRI blood oxygen level-dependent (BOLD) signals.     

Resolving the EPR Spectra in the Cytochrome bc 1 Complex from Saccharomyces cerevisiae

Quinone molecules are ubiquitous in living organisms. They are found either within the lipid phase of the biological membrane (quinone pool) or are bound in specific binding sites within membrane-bound protein complexes. The biological function of such bound quinones is determined by their ability to be reduced and/or oxidized in two successive one-electron steps. As a result, quinones are involved as one- or two-electron donors or acceptors in a large number of biological electron-transfer steps occurring during respiratory or photosynthetic processes. The intermediate formed by a one-electron reduction step is a semiquinone, which is paramagnetic and can be studied by electron paramagnetic resonance (EPR) spectroscopy. Detailed studies of such states can provide important structural information on these intermediates in such electron-transfer processes. In this study, we focus on the redox-active ubiquinone-6 of the yeast cytochrome bc ₁ complex (QCR, ubiquinol: cytochrome c oxidoreductase) from Saccharomyces cerevisiae at the so-called Q_i site. Although the location of the Q_i binding pocket is quite well known, details about its exact binding are less clear. Currently, three different X-ray crystallographic studies suggest three different binding geometries for Q_i. Recent studies in the bacterial system (Rhodobacter sphaeroides) have suggested a direct coordination to histidine as proposed in the chicken heart crystal structure model. Using the yeast system we apply EPR and especially relaxation filtered hyperfine (REFINE) spectroscopy to study the Q_i binding site. ¹⁴N-electron spin-echo envelope modulation spectroscopy together with an inversion-recovery filter (REFINE) is applied to resolve the question of whether ¹⁴N modulations arise from interactions to Q _i ^·? or to the Rieske iron–sulphur center. These results are discussed with regard to the location and potential function of Q_i in the enzyme.     

Approach to the Steady State in Kinetic Models with Thermal Reservoirs at Different Temperatures

We continue the investigation of kinetic models of a system in contact via stochastic interactions with several spatially homogeneous thermal reservoirs at different temperatures. Considering models different from those investigated in Carlen et al. (Braz J Probab Stat 29:372–386, 2015), we explicitly compute the unique spatially uniform non-equilibrium steady state (NESS) and prove that it is approached exponentially fast from any uniform initial state. This leaves open the question of whether there exist NESS that are not spatially uniform. Making a further simplification of our models, we then prove non-existence of such NESS and exponential approach to the unique spatially uniform NESS (with a computably boundable rate). The method of proof relies on refined Doeblin estimates and other probabilistic techniques, and is quite different form the analysis in Carlen et al. (Braz J Probab Stat 29:372–386, 2015) that was based on contraction mapping methods.     

Determination of Free Amino Acids in Milk,Colostrum and Plasma of Swine via Liquid Chromatography with Fluorescence and UV Detection

Amino acids are ubiquitous components of mammalian milk and greatly contribute to its nutritional value. The compositional analysis of free amino acids is poorly reported in the literature even though their determination in the biological fluids of livestock animals is necessary to establish possible nutritional interventions. In the present study, the free amino acid profiles in mature swine milk, colostrum and plasma were assessed using a targeted metabolomics approach. In particular, 20 amino acids were identified and quantified via two alternative and complementary reversed-phase HPLC methods, involving two stationary phases based on core-shell technology, i.e., Kinetex C18 and Kinetex F5, and two detection systems, i.e., a diode array detector (DAD) and a fluorescence detector (FLD). The sample preparation involved a de-proteinization step, followed by pre-chromatographic derivatization with 9-fluorenylmethylchloroformate (FMOC-Cl). The two optimized methods were validated for specificity, linearity, sensitivity, matrix effect, accuracy and precision and the analytical performances were compared. The analytical methods proved to be suitable for free amino acid profiling in different matrices with high sensitivity and specificity. The correlations among amino acid levels in different biological fluids can be useful for the evaluation of physio-pathological status and to monitor the effects of therapeutic or nutritional interventions in humans and animals.     

Lab on Fiber Technology for biological sensing applications

This review presents an overview of “Lab on Fiber” technologies and devices with special focus on the design and development of advanced fiber optic nanoprobes for biological applications. Depending on the specific location where functional materials at micro and nanoscale are integrated, “Lab on Fiber Technology” is classified into three main paradigms: Lab on Tip (where functional materials are integrated onto the optical fiber tip), Lab around Fiber (where functional materials are integrated on the outer surface of optical fibers), and Lab in Fiber (where functional materials are integrated within the holey structure of specialty optical fibers). This work reviews the strategies, the main achievements and related devices developed in the “Lab on Fiber” roadmap, discussing perspectives and challenges that lie ahead, with special focus on biological sensing applications.

     

Molecular dynamics simulation of semirigid polymers

The chain rigidity of poly(p-hydroxybenzoate) was estimated through the theoretical evaluation of its persistence length (L_p). A non-Brownian molecular dynamics (MD) simulation of an isolated chain with 20 monomeric units was performed. The sampled conformational population was analyzed and the orientational correlation function between monomeric units along the chain was calculated. An algorithm based on the worm-like chain model was applied to evaluate the persistence length. The results were compared with those obtained from equilibrium models like the freely-rotating-chain and the rotational-matrix method with fluctuations. Equilibrium models give different results depending on the degree of accuracy used in describing the monomeric unit. The inclusion of thermal fluctuations is crucial to obtain realistic results. These coincide with those given by MD simulation when only nearest-neighbour orientational correlations are taken into account: inclusion of higher-order correlation terms leads to lower values of the persistence length. The origin of this discrepancy was investigated. The MD simulation results are characterized by an overrepresentation of conformations with a short end-to-end distance resulting from an anomalous energy concentration in the first bending mode of the chain. In analogy with previous simulation results from systems characterized by a week coupling amoung their degrees of freedom, failure in the energy equipartition is proposed as a likely explanation of the anomalous dynamical behaviour.     

Inexact inner–outer Golub–Kahan bidiagonalization method: A relaxation strategy

We study an inexact inner–outer generalized Golub–Kahan algorithm for the solution of saddle-point problems with a two-times-two block structure. In each outer iteration, an inner system has to be solved which in theory has to be done exactly. Whenever the system is getting large, an inner exact solver is, however, no longer efficient or even feasible and iterative methods must be used. We focus this article on a numerical study showing the influence of the accuracy of an inner iterative solution on the accuracy of the solution of the block system. Emphasis is further given on reducing the computational cost, which is defined as the total number of inner iterations. We develop relaxation techniques intended to dynamically change the inner tolerance for each outer iteration to further minimize the total number of inner iterations. We illustrate our findings on a Stokes problem and validate them on a mixed formulation of the Poisson problem.