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We provide a worked example on how to obtain the total neutron scattering cross section of organic polymers at thermal neutron energies by means of the Average Functional Group Approximation. Within this framework, a polymer is rationalised as composed of hydrogen atoms belonging to specific functional groups,therefore taking into account the material-specific incoherent inelastic scattering contributions to the thermal cross section. Such simplified model allows the calculation of thermal neutron cross sections for a broad variety of materials of interest in neutron applications, e.g., sample containers and shielding components. We discuss in detail the case of ABS, often available as a 3D-printing material, whereby three polymers (acrylonitrile, butadiene, and styrene) can be combined in several mass percentages depending on the final application. Results are obtained using the NCrystal module already featuring the Average Functional Group Approximation.

The use of the Average Functional Group Approximation for self-shielding corrections at inelastic neutron spectrometers is discussed. By taking triptindane as a case study, we use the above-mentioned approximation to simulate a synthetic dynamic structure factor as measured on an indirect-geometry spectrometer, as well as the related total scattering cross section as a function of incident neutron energy and sample temperature, and the transmission spectra depending on the sample thickness. These quantities, obtained in a consistent way from the Average Functional Group Approximation, are used to calculate the energy-dependent self-shielding correction affecting the sample under investigation. The impact on the intensities of low-energy vibrational modes is discussed, showing that at typical experimental conditions the sample-dependent attenuation factor is about 15% higher compared to the correction at higher energies.

We present an experimental investigation of methylammonium lead tribromide single crystals in the orthorhombic, tetragonal, and cubic phases based on inelastic and deep inelastic neutron scattering experiments. We show how the average hydrogen nuclear kinetic energy, mainly affected by zero-point vibrational energies, shows differences larger compared to the changes simply related to temperature effects when moving from one phase to another. In particular, the Gaussian contribution to the average nuclear kinetic energy is larger in the tetragonal phase compared to the cubic and orthorhombic ones. Moreover, we find that the vibrational densities of states of MAPbBr3 single crystals in the orthorhombic phase are compatible with previously reported results on powder samples, and that the only vibrational modes that show slightly different frequencies compared to MAPbI3 are those in the energy range between 100 and 300 cm−1, related to librational/rotational modes. As these shifts are of about 10 cm−1 and do not affect any higher-energy vibrational mode, we conclude that the zero-point energies and average nuclear kinetic energies in the two-hybrid organic/inorganic perovskites are expected to be approximately the same within a harmonic framework. [ABSTRACT FROM AUTHOR]

Background: Boron‐containing compounds, such as 4‐borono‐phenylalanine (BPA) are used as drugs for cancer treatment in the framework of Boron Neutron Capture Therapy (BNCT). Neutron irradiation of boron‐rich compounds delivered to cancer cells triggers nuclear reactions that destroy cancer cells. Purpose: We provide a modeling of the thermal neutron cross section of BPA, a drug used in Boron Neutron Capture Therapy (BNCT), to quantify the competing contributions of boron absorption against hydrogen scattering, for optimizing BNCT by minimizing the latter. Methods: We perform the experimental determination of the total neutron scattering cross section of BPA at thermal and epithermal neutron energies using neutron transmission measurements. We isolate the contribution related to the incoherent scattering by hydrogen atoms as a function of the neutron energy by means of the Average Functional Group Approximation, and we calculate the probability for a neutron of being absorbed as a function of the neutron energy both for BPA and for its variants where either one or all four aromatic hydrogen atoms are substituted by 19F, and both for the samples with natural occurrence or enriched concentration of 10B. Results: While referring to the already available literature for in vivo use of fluorinated BPA, we show that fluorine‐rich variants of BPA increase the probability of neutrons being captured by the molecule. As the higher absorption efficiency of fluorinated BPA does not depend on whether the molecule is used in vivo or not, our results are promising for the higher efficiency of the boron neutron capture treatment. Conclusions: Our results suggest a new advantage using fluorinated compounds for BNCT, in their optimized interaction with neutrons, in addition to their already known capability to be used for monitoring and pharmacokinetics studies using 19F‐Nuclear Magnetic Resonance or in 18F‐Positron Emission Tomography. [ABSTRACT FROM AUTHOR]

The increasing interest in stretchable conductive composite materials, that can be versatile and suitable for wide-ranging application, has sparked a growing demand for studies of scalable fabrication techniques and specifically tailored geometries. Thanks to the combination of the conductivity and robustness of carbon nanotube (CNT) materials with the viscoelastic properties of polymer films, in particular their stretchability, "surface composites" made of a CNT on polymeric films are a promising way to obtain a low-cost, conductive, elastic, moldable, and patternable material. The use of polymers selected for specific applications, however, requires targeted studies to deeply understand the interface interactions between a CNT and the surface of such polymer films, and in particular the stability and durability of a CNT grafting onto the polymer itself. Here, we present an investigation of the interface properties for a selected group of polymer film substrates with different viscoelastic properties by means of a series of different and complementary experimental techniques. Specifically, we studied the interaction of a single-wall carbon nanotube (SWCNT) deposited on two couples of different polymeric substrates, each one chosen as representative of thermoplastic polymers (i.e., low-density polyethylene (LDPE) and polypropylene (PP)) and thermosetting elastomers (i.e., polyisoprene (PI) and polydimethylsiloxane (PDMS)), respectively. Our results demonstrate that the characteristics of the interface significantly differ for the two classes of polymers with a deeper penetration (up to about 100 μm) into the polymer bulk for the thermosetting substrates. Consequently, the resistance per unit length varies in different ranges, from 1–10 kΩ/cm for typical thermoplastic composite devices (30 μm thick and 2 mm wide) to 0.5–3 MΩ/cm for typical thermosetting elastomer devices (150 μm thick and 2 mm wide). For these reasons, the composites show the different mechanical and electrical responses, therefore suggesting different areas of application of the devices based on such materials. [ABSTRACT FROM AUTHOR]

The Museo Egizio's collection contains 200 precious and unique leather artifacts belonging to different historical periods. The materials used during the tanning and curing procedures affect the chemical and elemental composition of the surface of the samples as well as their preservation status, specifically through the hydration level within the bulk. Here we provide an experimental characterization of a series of samples from Museo Egizio that document an extensive denaturation phenomenon (gelatinization), by combining non-destructive techniques including surface probes (X-ray fluorescence, Raman scattering, and scanning electron microscopy enhanced by X-ray energy spectroscopy) and neutron-based bulk techniques (inelastic and deep-inelastic neutron scattering). Results show partial dehydration of the samples in the bulk, affecting the morphology of their surface, the presence of potassium alum, and iron oxides, as well as phosphates and hydroxides related to the tanning and curing procedures. Finally, we briefly discuss the need for a versatile and adaptable software package that is capable of combining quantitative analyses with complementary techniques including morphological, elemental, and chemical composition. [ABSTRACT FROM AUTHOR]

Typical features of lightning distribution in the mountain area of Mt. Cimone (2165 m a.s.l., Northern-Central Italy) have been studied through detections provided by the ground-based LIghtning NETwork data (LINET) and the Lightning Imaging Sensor (LIS) onboard the International Space Station (ISS-LIS). This study was performed within the context of the Gamma-Flash program, which includes the in situ observation of high-energy radiation (e.g., Terrestrial Gamma-ray Flashes (TGFs), gamma-ray glows) and neutron emissions from thunderstorms at the mountain-top "O. Vittori" climate observatory. LINET VLF/LF radio measurements allowed the characterization of both cloud-to-ground (CG) and intra-cloud (IC) strokes' geographical distribution and an altitude of occurrence from 2012 through 2020. The lightning distribution showed a remarkable clustering of CGs at the mountain top in contrast to a homogeneous distribution of ICs, highlighting the likely impact of orography. IC strokes peaked around 4 to 6 km altitude, in agreement with the observed typical cloud range. The joint exploitation of ISS-LIS optical observations of LINET detections extended the study to further features of flashes not seen in radio wavelengths and stands as the cross-validation of the two detection methods over such a complex orography. These results gave the quantitative indication of the expected occurrence of lightning and ionizing radiation emissions in the Mt. Cimone area and an example of mountain-driven changes in lightning occurrence. [ABSTRACT FROM AUTHOR]

Gamma-Flash is an Italian program devoted to the realization of both a ground-based and an airborne gamma-ray and neutron detection system, for in situ measurements of high-energy phenomena correlated to thunderstorm activity, such as Terrestrial Gamma-ray Flashes (TGFs), gamma-ray glows, and associated neutron emissions. The ground-based Gamma-Flash experiment is currently under installation at the Osservatorio Climatico "Ottavio Vittori" (CNR-ISAC) on Mt. Cimone, in Northern-Central Italy (2165 m a.s.l.), and it will be operational starting in Summer 2022. We studied the detectability of TGFs in the surroundings of the ground-based Gamma-Flash experiment, to identify an investigable spatial region around the detectors from which typical TGFs can survive and be revealed onground. We carried out numerical simulations of gamma-ray propagation in the mid-latitude atmosphere, and we developed a qualitative analytical model to integrate the results. This analysis allows one to identify a spatial region extending up to 4 km distance on ground and up to 10 km altitude a.s.l., considering typical TGFs emitting ∼ 10 18 gamma-ray photons at the source. Lightning sferics data acquired by the LINET network demonstrate that such a region is interested by frequent cloud-to-ground and intra-cloud lightning, pointing out the suitability of the location for the purposes of the Gamma-Flash program. [ABSTRACT FROM AUTHOR]

The static random access memory (SRAM) of an ultralow power system-on-chip (SoC) was tested for single-event upsets (SEUs) using alpha particles and neutron beam sources. The measurements are compared to those of an SRAM-based field-programmable gate array (FPGA), built on a similar technology node. The results reveal opposite trends in the two devices regarding the upsets of the logic states, as well as differences in the dependence of SEU cross section (CS) on the operation voltage. The sensitivity of the SoC SRAM to multiple bit upsets with the different radiation sources is analyzed as well. The results demonstrate that the unique SoC design, which enables complete near/subthreshold operation, does not compromise the SoC bit upset tolerance compared to devices of similar technology node which operate at higher voltages. [ABSTRACT FROM AUTHOR]

Achieved spatial resolution of the PET systems is often limited by the parallax error due to the lack of information about the Depth of Interaction (DoI) inside the crystal of the incoming 511 keV annihilation photons. The smaller the diameter of the PET ring and the thicker the scintillator are, the more this error affects imaging performance. In this work, a DoI calculator suitable for monolithic scintillation crystals and based on the shape of the scintillation light distribution at the photodetector surface has been proposed. To test the estimator performance, a test PET module with a 50 \times 50 \times 20\; \mm monolithic LYSO crystal coupled to a 12 \times 12 SiPM array has been employed. In addition, for calibration and validation of the method, Geant4 simulations have been also used. The key result of the application of the proposed DoI estimator is obtaining a continuous DoI estimation with an average DoI resolution of about 5 mm in the 20 mm-thick crystal. Benefiting from the DoI estimation capabilities of the method, it has been also possible to achieve additional important goals, first of all reducing the parallax error. First, because the scintillation light collection varies as a function of the 3D position of the interaction of the annihilation photon inside the crystal, a method to correct this response variation via a proper 3D look-up-table is proposed. This has led to an improvement of about 35% in energy resolution. Moreover, a DoI-dependent position algorithm has been proposed, allowing an improvement of both planar (X-Y) position linearity and planar spatial resolution. This algorithm is specifically developed for the rows/columns multi-channel readout logic, that reduces the number of independent channels from {\rm N} \times {\rm N} to {\rm N} + {\rm N}$, where N is the number of SiPM photodetection elements (12 in our case) in each row and column. This development was performed in the framework of the MindView PET/MRI brain imaging project. [ABSTRACT FROM AUTHOR]

Extra virgin olive oil (EVOO) is one of the most important ingredients as well as the main source of lipids in the Mediterranean diet. Moreover, when comparing neutron and Raman data, differences in EVOO samples investigated appeared to be mostly related to the different amounts of phenolic esters versus acids. These characteristics depend on the structural and conformational behavior of the phenolic components, namely phenolic acids and esters, for example, cinnamic acid derivatives, which are largely determined by intra- and intermolecular H-bond interactions. [Extracted from the article]

Extra virgin olive oil (EVOO) is defined as a functional food as it contains numerous phenolic components with well-recognized health-beneficial properties, such as high antioxidant and anti-inflammatory capacity. These characteristics depend on their structural/conformational behavior, which is largely determined by intra- and intermolecular H-bond interactions. While the vibrational dynamics of isolated compounds have been studied in a number of recent investigations, their signal in a real-life sample of EVOO is overwhelmed by the major constituent acids. Here, we provide a full characterization of the vibrational spectroscopic signal from commercially available EVOO samples using Inelastic Neutron Scattering (INS) and Raman spectroscopies. The spectra are dominated by CH2 vibrations, especially at about 750 cm−1 and 1300 cm−1. By comparison with the spectra from hydroxytyrosol and other minor phenolic compounds, we show that the best regions in which to look for the structure–activity information related to the minor polar compounds is at 675 and 1200 cm−1 for hydroxytyrosol, and around 450 cm−1 for all minor polar compounds used as reference, especially if a selectively deuterated sample is available. The regional origin of the EVOO samples investigated appears to be related to the different amount of phenolic esters versus acids as reflected by the relative intensities of the peaks at 1655 and 1747 cm−1. [ABSTRACT FROM AUTHOR]

Aggregation states of amyloid beta peptides for amyloid beta A β 1 – 40 to A β 1 – 42 and A β p 3 – 42 are investigated through small angle neutron scattering (SANS). The knowledge of these small peptides and their aggregation state are of key importance for the comprehension of neurodegenerative diseases (e.g., Alzheimer's disease). The SANS technique allows to study the size and fractal nature of the monomers, oligomers and fibrils of the three different peptides. Results show that all the investigated peptides have monomers with a radius of gyration of the order of 10 Å, while the oligomers and fibrils display differences in size and aggregation ability, with A β p 3 – 42 showing larger oligomers. These properties are strictly related to the toxicity of the corresponding amyloid peptide and indeed to the development of the associated disease. [ABSTRACT FROM AUTHOR]

Magnetic resonance imaging is effective for non-invasive detection of myocardial diseases by extracellular volume fraction (ECV) estimation. A new methodology for T1 and ECV mapping is tested in this work, comparing results with other well-consolidated methods. The associated level of uncertainty for data was also estimated, to assess the reliability of the technique. A phantom with known T1 values was used for reference, and 60 subjects (40 controls, 20 diseased patients) were examined, using the modified look-locker inversion-recovery (MOLLI) method. Obtained T1 data were studied in terms of accuracy (difference with reference T1), paired comparisons with other methods, and Gamma-tool analysis with tolerances criteria of 4.21 mm for distance-to-agreement, and between 2%-5% for T1 difference. Accuracy and precision of the T1 mapping was analysed by phantom measurements, and the uncertainty of the ECV was estimated by T1 error propagation. Differences (in paired comparisons) of T1 datasets were not significant neither for statistical tests, nor for Bland-Altman analysis. T1 accuracy was between  -12% and  -1% across methods, slightly better for the tested method (mean accuracy in the T1 range of interest better than 2%). The Gamma analysis confirm slightly better results for the tested method than other methodologies. The new method improves the computational efficiency by a factor of 25 (at least), revealing to be also more suitable for Big Data-related applications.

Dynamic contrast-enhanced cardiovascular magnetic resonance imaging can be used to quantitatively assess the myocardial blood flow (MBF), recovering the tissue impulse response function for the transit of a gadolinium bolus through the myocardium. Several deconvolution techniques are available, using various models for the impulse response. The method of choice may influence the results, producing differences that have not been deeply investigated yet. Three methods for quantifying myocardial perfusion have been compared: Fermi function modelling (FFM), the Tofts model (TM) and the gamma function model (GF), with the latter traditionally used in brain perfusion MRI. Thirty human subjects were studied at rest as well as under cold pressor test stress (submerging hands in ice-cold water), and a single bolus of gadolinium weighing 0.1  ±  0.05 mmol kg -1 was injected. Perfusion estimate differences between the methods were analysed by paired comparisons with Student's t-test, linear regression analysis, and Bland-Altman plots, as well as also using the two-way ANOVA, considering the MBF values of all patients grouped according to two categories: calculation method and rest/stress conditions. Perfusion estimates obtained by various methods in both rest and stress conditions were not significantly different, and were in good agreement with the literature. The results obtained during the first-pass transit time (20 s) yielded p-values in the range 0.20-0.28 for Student's t-test, linear regression analysis slopes between 0.98-1.03, and R values between 0.92-1.01. From the Bland-Altman plots, the paired comparisons yielded a bias (and a 95% CI)-expressed as ml/min/g-for FFM versus TM, -0.01 (-0.20, 0.17) or 0.02 (-0.49, 0.52) at rest or under stress respectively, for FFM versus GF, -0.05 (-0.29, 0.20) or  -0.07 (-0.55, 0.41) at rest or under stress, and for TM versus GF, -0.03 (-0.30, 0.24) or  -0.09 (-0.43, 0.26) at rest or under stress. With the two-way ANOVA, the results were p  =  0.20 for the method effect (not significant), p  <  0.0001 for the rest/stress condition effect (highly significant, as expected), whereas no interaction resulted between the rest/stress condition and method (p  =  0.70, not significant). Considering a wider time-frame (60 s), the estimates for both rest and stress conditions were 25%-30% higher (p in the range 0.016-0.025) than those obtained in the 20 s time-frame. MBF estimates obtained by various methods under rest/stress conditions were not significantly different in the first-pass transit time, encouraging quantitative perfusion estimates in DCE-CMRI with the used methods.