Positron Binding and Annihilation Properties of Amino Acid Systems
Ontology highlight
ABSTRACT:
SUBMITTER: Ozaki M
PROVIDER: S-EPMC8581980 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:We report a 511-keV photon flux enhancement that was observed inside a thundercloud and is a result of positron annihilation. The observation was made with the In-flight Lightning Damage Assessment System (ILDAS) on board of an A340 test aircraft. The aircraft was intentionally flying through a thunderstorm at 12-km altitude over Northern Australia in January 2016. Two gamma ray detectors showed a significant count rate increase synchronously with fast electromagnetic field variations registered by an on-board antenna. A sequence of 10 gamma ray enhancements was detected, each lasted for about 1 s. Their spectrum mainly consists of 511-keV photons and their Compton component. The local electric activity during the emission was identified as a series of static discharges of the aircraft. A full-scale Geant4 model of the aircraft was created to estimate the emission area. Monte Carlo simulation indicated that the positrons annihilated in direct vicinity or in the aircraft body.
| S-EPMC6473548 | biostudies-literature
Project description:The paper presents the results of experimental studies on the impact of impulse shot peening parameters on surface roughness (Sa, Sz, Sp, Sv), surface layer microhardness, and the mean positron lifetime (τmean). In the study, samples made of the Inconel 718 nickel alloy were subjected to impulse shot peening on an originally designed stand. The variable factors of the experiment included the impact energy, the diameter of the peening element, and the number of impacts per unit area. The impulse shot peening resulted in changes in the surface structure and an increase in surface layer microhardness. After the application of impulse shot peening, the analyzed roughness parameters increased in relation to post-milling values. An increase in microhardness was obtained, i.e., from 27 HV 0.05 to 108 HV 0.05 at the surface, while the maximum increase the microhardness occur at the depth from 0.04 mm to 0.08 mm. The changes in the physical properties of the surface layer were accompanied by an increase in the mean positron lifetime τmean. This is probably related to the increased positron annihilation in point defects. In the case of small surface deformations, the increase in microhardness was accompanied by a much lower increase in τmean, which may indicate a different course of changes in the defect structure consisting mainly in modification of the dislocation system. The dependent variables were subjected to ANOVA analysis of variance (it was one-factor analysis), and the effect of independent variables was evaluated using post-hoc tests (Tukey test).
| S-EPMC8658380 | biostudies-literature
Project description:During high-speed cutting, a white layer is often produced on the machined surfaces after mechanical machining, seriously affecting the mechanical properties. These properties are related to the material structure and the defects induced by cutting. However, there is a lack of research on the atomic-scale defects of the white layer. This paper studied the influence of cutting parameters, namely the feed rate, cutting speed and cutting depth, on atomic-scale defects induced by high-speed cutting in GCr15 steel. Positron annihilation studies showed typical plastically deformed or tempered carbon steel defects with additional vacancy cluster components. The quantity of these clusters changed with cutting parameters. Furthermore, significant changes were observed in the subsurface region up to 1 µm, occurring as a result of simultaneous phase transformations, deformation and thermal impacts. The predominant accumulation of only one type of atomic-scale defect was not observed.
| S-EPMC8838609 | biostudies-literature
Project description:Nano-scale investigations of bainitic structures formed at temperatures below 350?°C have shown that the bainitic ferrite lattice is super-saturated in carbon. A high density of intrinsic defects would be playing a part in the carbon-supersaturation levels detected. In this work, the role of C-vacancy complexes on carbon-supersaturation in low temperature bainite is investigated by means of Positron Annihilation Spectroscopy. Results reveal the presence of a significant amount of monovacancies in the structures that plays an important role on the formation of carbon clusters in the ferrite lattice of nano-scale bainitic structures.
| S-EPMC6965194 | biostudies-literature
Project description:We present a novel route for the preparation of amino acid-derived cyclic imide dioxime derivatives. Readily accessible amino acids were conveniently converted to their corresponding cyclic imide dioximes in simple synthetic steps. The aim of this work was to describe and compare the iron-chelating and antioxidant properties of synthesized compounds in relation to their molecular structure, and in particular, which of those features are essential for iron(II)-chelating ability. The glutarimide dioxime moiety has been established as an iron(II)-binding motif and imparts potent anti-Fenton properties to the compounds. Compound 3 was shown to strongly suppress hydroxyl radical formation by preventing iron cycling via Fe-complexation. These findings provide insights into the structural requirements for achieving anti-Fenton activity and highlight the potential use of glutarimide dioximes as antioxidants.
| S-EPMC6826749 | biostudies-literature
Project description:Bone is a hierarchical material primarily composed of collagen, water, and mineral that is organized into discrete molecular, nano-, micro-, and macroscale structural components. In contrast to the structural knowledge of the collagen and mineral domains, the nanoscale porosity of bone is poorly understood. In this study, we introduce a well-established pore characterization technique, positron annihilation lifetime spectroscopy (PALS), to probe the nanoscale size and distribution of each component domain by analyzing pore sizes inherent to hydrated bone together with pores generated by successive removal of water and then organic matrix (including collagen and noncollagenous proteins) from samples of cortical bovine femur. Combining the PALS results with simulated pore size distribution (PSD) results from collagen molecule and microfibril structure, we identify pores with diameter of 0.6 nm that suggest porosity within the collagen molecule regardless of the presence of mineral and water. We find that water occupies three larger domain size regions with nominal mean diameters of 1.1, 1.9, and 4.0 nm-spaces that are hypothesized to associate with intercollagen molecular spaces, terminal segments (d-spacing) within collagen microfibrils, and interface spacing between collagen and mineral structure, respectively. Subsequent removal of the organic matrix determines a structural pore size of 5-6 nm for deproteinized bone-suggesting the average spacing between mineral lamella. An independent method to deduce the average mineral spacing from specific surface area (SSA) measurements of the deproteinized sample is presented and compared with the PALS results. Together, the combined PALS and SSA results set a range on the mean mineral lamella thickness of 4-8 nm.
| S-EPMC8176962 | biostudies-literature
Project description:That amino acid properties are responsible for the way protein molecules evolve is natural and is also reasonably well supported both by the structure of the genetic code and, to a large extent, by the experimental measures of the amino acid similarity. Nevertheless, there remains a significant gap between observed similarity matrices and their reconstructions from amino acid properties. Therefore, we introduce a simple theoretical model of amino acid similarity matrices, which allows splitting the matrix into two parts - one that depends only on mutabilities of amino acids and another that depends on pairwise similarities between them. Then the new synthetic amino acid properties are derived from the pairwise similarities and used to reconstruct similarity matrices covering a wide range of information entropies. Our model allows us to explain up to 94% of the variability in the BLOSUM family of the amino acids similarity matrices in terms of amino acid properties. The new properties derived from amino acid similarity matrices correlate highly with properties known to be important for molecular evolution such as hydrophobicity, size, shape and charge of amino acids. This result closes the gap in our understanding of the influence of amino acids on evolution at the molecular level. The methods were applied to the single family of similarity matrices used often in general sequence homology searches, but it is general and can be used also for more specific matrices. The new synthetic properties can be used in analyzes of protein sequences in various biological applications.
| S-EPMC4072533 | biostudies-literature
Project description:Fluorescent noncanonical amino acids (fNCAAs) could serve as starting points for the rational design of protein-based fluorescent sensors of biological activity. However, efforts toward this goal are likely hampered by a lack of atomic-level characterization of fNCAAs within proteins. Here, we describe the spectroscopic and structural characterization of five streptavidin mutants that contain the fNCAA l-(7-hydroxycoumarin-4-yl)ethylglycine (7-HCAA) at sites proximal to the binding site of its substrate, biotin. Many of the mutants exhibited altered fluorescence spectra in response to biotin binding, which included both increases and decreases in fluorescence intensity as well as red- or blue-shifted emission maxima. Structural data were also obtained for three of the five mutants. The crystal structures shed light on interactions between 7-HCAA and functional groups, contributed either by the protein or by the substrate, that may be responsible for the observed changes in the 7-HCAA spectra. These data could be used in future studies aimed at the rational design of fluorescent, protein-based sensors of small molecule binding or dissociation.
| S-EPMC8879415 | biostudies-literature
Project description:We employ a positron annihilation technique, the spin-polarized two-dimensional angular correlation of annihilation radiation (2D-ACAR), to measure the spin-difference spectra of ferromagnetic nickel. The experimental data are compared with the theoretical results obtained within a combination of the local spin density approximation (LSDA) and the many-body dynamical mean-field theory (DMFT). We find that the self-energy defining the electronic correlations in Ni leads to anisotropic contributions to the momentum distribution. By direct comparison of the theoretical and experimental results we determine the strength of the local electronic interaction U in ferromagnetic Ni as 2.0 ± 0.1 eV.
| S-EPMC4754699 | biostudies-other
Project description:Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25?eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.
| S-EPMC5511367 | biostudies-literature