The Guelph PIXE Software Package V

Campbell, John L.; Cureatz, Daniel J.T.; Flannigan, Erin L.; Heirwegh, Christopher M.; Maxwell, J.A.; Russell, J.L.; Taylor, Stephanne

doi:10.1016/j.nimb.2021.05.004

Cited by 25 publications

(8 citation statements)

References 39 publications

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“…Simulation SIMNRA ver. 7.03 [12] (for RBS, EBS, NRA) and fitting GUPIXWIN [13] (for PIXE) programs were used for measured data evaluation and derivation of concentration profiles of individual elements. The elastic backscattering differential cross section data of 12 C(α,α0) 12 C; 14 N(α,α0) 14 N; 16 O(α,α0) 16 O for SIMNRA simulations were taken from SigmaCalc 2.0 [14].…”

Section: Methodsmentioning

confidence: 99%

Ion Beam Analysis including ToF-ERDA of complex composition layers

Dobrovodský,

Vaňa,

Beňo

et al. 2024

J. Phys.: Conf. Ser.

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When developing new materials for example, for high-temperature nuclear reactors with the potential of hydrogen production, that are characterized by radiation, high temperature and corrosion resistance, it is indispensable the knowledge of their detailed elemental composition and its possible variation with depth from surface. Several analytical methods based on different physical principles are used to determine the depth distribution of elements in the surface layers of materials. For the quantitative determination of elemental depth profile to a depth of several micrometres are applicable established Ion Beam Analysis (IBA) methods such as RBS, EBS, NRA and ERDA. Their advantage is that they are considered to be absolute and to a certain extent non-destructive. Each of these methods is advantageously used to analyse a certain range of elements, sometimes depending on the combination of other elements present. The recently commissioned Time of Flight Elastic Recoil Analysis (ToF-ERDA) measuring system at the Slovak University of Technology MTF in Trnava significantly enhanced the Ion Beam Laboratory capability of a comprehensive elemental analysis of thin films to the depth of hundreds of nanometres. Using the primary analysing 50 MeV Au beam, the depth profiles of all elements from W to H can be obtained within a single measurement. Analysis of complex samples using traditional IBA methods and high-energy ToF-ERDA is discussed and compared. The first measurements on the new ToF-ERDA installation are also presented.

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Section: Methodsmentioning

confidence: 99%

Ion Beam Analysis including ToF-ERDA of complex composition layers

Dobrovodský,

Vaňa,

Beňo

et al. 2024

J. Phys.: Conf. Ser.

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“…It extracts peak intensities and converts these to concentrations via the H-value standardization method. 45,46 The PIXE routine (GUPIX) consists of two separate sections, a data input section (PIXE) coupled to a fitting section (PIXMFT). The fitting routine uses the method of non-linear least squares developed by Bevington, 47 followed by an iterated linear least squares procedure that allows the user to fit a PIXE spectrum of up to MXCH channels containing the X-ray peaks of a maximum of MXNEL elements.…”

Section: Methodsmentioning

confidence: 99%

Comparative elemental characterization of atmospheric fine and coarse PM samples by PIXE and ICP-MS/MS: results from a one-year measurement campaign in a coal-powered thermal power plant city

Dawood

Lucarelli

Arı

et al. 2022

J. Anal. At. Spectrom.

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“…Quantitative information was obtained by collecting three-or four-point spectra from each droplet. PIXE spectra were processed with GUPIX (Campbell et al, 2021) using the matrix composition derived from the simultaneously collected RBS spectrum. The concentrations of the elements were used to calculate the relative amount of each element per protein molecule in the sample using the sulphur signal from the known number of cysteines and methionines in the protein sequence as an internal standard for normalisation.…”

Section: Micro-pixementioning

confidence: 99%

Crystal structure of a bacterial photoactivated adenylate cyclase determined at room temperature by serial femtosecond crystallography

Kapetanaki,

Coquelle,

von Stetten

et al. 2024

Preprint

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OaPAC is a recently discovered blue-light using flavin adenosine dinucleotide (BLUF) photoactivated adenylate cyclase from the cyanobacterium Oscillatoria acuminata that uses adenosine triphosphate and translates the light signal into the production of cyclic adenosine monophosphate. Here, we report the crystal structures of the enzyme in the absence of its natural substrate determined from room temperature serial crystallography data collected at both an X-ray free electron laser and a synchrotron and we compare them with the cryo macromolecular crystallography structures obtained at a synchrotron by us and others. These results reveal slight differences in the structure of the enzyme due to data collection at different temperatures and X-ray sources. We further investigate the effect of the Y6 mutation in the blue-light using flavin adenosine dinucleotide domain, a mutation which results in a rearrangement of the hydrogen-bond network around the flavin and a notable rotation of the side-chain of the critical Q48 residue. These studies pave the way for ps - ms time-resolved serial crystallography experiments at X-ray free electron lasers and synchrotrons in order to determine the early structural intermediates and correlate them with the well-studied ps - ms spectroscopic intermediates.

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The Guelph PIXE Software Package V

Cited by 25 publications

References 39 publications

Ion Beam Analysis including ToF-ERDA of complex composition layers

Ion Beam Analysis including ToF-ERDA of complex composition layers

Comparative elemental characterization of atmospheric fine and coarse PM samples by PIXE and ICP-MS/MS: results from a one-year measurement campaign in a coal-powered thermal power plant city

Crystal structure of a bacterial photoactivated adenylate cyclase determined at room temperature by serial femtosecond crystallography

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