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Guimarães, D., A. A. Dias, M. Carvalho, M. L. Carvalho, J. P. Santos, F. R. Henriques, F. Curate, and S. Pessanha. "Quantitative determinations and imaging in different structures of buried human bones from the XVIII-XIXth centuries by energy dispersive X-ray fluorescence – Postmortem evaluation." Talanta 155 (2016): 107-115. AbstractWebsite

Talanta, 155 + (2016) 107-115. doi:10.1016/j.talanta.2016.04.028

Guimarães, Diana, Maria Luisa Carvalho, Vera Geraldes, Isabel Rocha, Luís Cerqueira Alves, and Jose Paulo Santos. "Lead in liver and kidney of exposed rats: Aging accumulation study." J. Trace Elem. Med Biol. 26 (2012): 285. AbstractWebsite

The concentration of lead in liver and kidneys of Wistar rats, fed with lead since fetal period in relation to their age and to a control group, was determined. A group of rats was exposed to lead acetate (n=30) in drinking water and the other group was exposed to normal water (n=20). Samples were collected from rats aging between 1 and 11 months and were analyzed by Energy Dispersive X-ray Fluorescence (EDXRF) without any chemical preparation. The EDXRF results were assessed by the PIXE (Proton Induced X-ray Emission) technique. The formaldehyde used to preserve the samples was also analyzed by ETAAS (Electro-Thermal Atomic Absorption Spectrometry) in order to verify if there was any loss of lead from the samples to the formaldehyde. We found that the loss was not significant (<2%). Concerning the mean values of the lead concentration measured in the contaminated soft tissues, in liver they range from 6 to 22μgg(-1), and in kidneys from 44 to 79μgg(-1). The control rats show, in general, values below the EDXRF detection limit (2μgg(-1)). The ratio kidney/liver ranges from 2 to 10 and is strongly positively correlated with the age of the animals. A Spearman correlation matrix to investigate the correlation between elemental concentrations and the dependence of these concentrations with age showed that there is a strong positive correlation with age for lead in the liver but not in the kidney. The correlation matrix showed also that the concentration of lead in these two soft tissues is not correlated. The lead accumulation in liver is made by different plateaus that strongly decrease with age. It was verified the existence of two levels of accumulation in kidney, not very highlighted, which might be indicative of a maximum accumulation level for lead in kidney.

Guimarães, D., J. P. Santos, M. L. Carvalho, M. S. Diniz, B. House, and V. M. Miller. "Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius." NeuroToxicology 44 (2014): 91-97. AbstractWebsite

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was ∼2.1μg/g lead in the NTS and ∼3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (∼50%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

Guimarães, D., J. P. Santos, M. L. Carvalho, M. S. Diniz, B. House, and V. M. Miller. "Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius." NeuroToxicology 44 (2014): 91-97. AbstractWebsite

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was ∼2.1μg/g lead in the NTS and ∼3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (∼50%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

Guerra, M., Th Stöhlker, P. Amaro, J. Machado, and J. P. Santos. "Electron impact ionization cross-sections for few-electron uranium ions." Journal of Physics B: Atomic, Molecular and Optical Physics 48 (2015): 1-5. AbstractWebsite

Journal of Physics B: Atomic, Molecular and Optical Physics, 48(2015) 144027. doi:10.1088/0953-4075/48/14/144027

Guerra, M., P. Amaro, C. I. Szabo, A. Gumberidze, P. Indelicato, and J. P. Santos. "Analysis of the charge state distribution in an ECRIS Ar plasma using high-resolution x-ray spectra." Journal of Physics B: Atomic, Molecular and Optical Physics 46 (2013): 065701. AbstractWebsite

In this work, we obtained a charge state distribution inside an Ar plasma produced by an electron–cyclotron-resonance ion source. The processes that lead to the observed lines in x-ray spectra are identified and included in the simulated x-ray spectrum. The geometrical constraints of the flat double crystal spectrometer, used to measure the x-ray spectrum, are investigated as they are crucial for correctly obtaining the ion densities from the observed transition amplitudes. Multiple electron impact ionization is included, and a realistic electron velocity distribution is taken into account. The charge state distribution of the Ar ions is compared to measured extracted ionic currents.

Guerra, M., S. C. Pé-Leve Santos, A. M. E. Barroso, C. P. S. Fonseca, M. Eloy Cruz, P. Amaro, J. L. Figueirinhas, M. L. Carvalho, and J. P. Santos. "Spatially resolved determination of toxic trace elements in plants of Panasqueira mining region using micro X-ray fluorescence." Microscopy and Microanalysis 21 (2015): 54-55. AbstractWebsite
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Guerra, M., P. Amaro, J. Machado, and J. P. Santos. "Modified Binary-Encounter-Bethe Model for Electron Impact Ionization Cross Sections of Highly Charged Ions ." Journal of Physics: Conference Series 635 (2015): 052067. AbstractWebsite
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Guerra, M., F. Parente, and J. P. Santos. "Electron impact ionization of atomic target inner-shells." Journal of Physics: Conference Series 194 (2009): 042047. AbstractWebsite
There is a need for reliable theoretical methods to calculate electron-impact total ionization cross sections for the large number of neutral atoms and ions with open shell structures. These cross sections are used in a wide range of scientific and industrial applications, such as astrophysical plasmas, atmospheric science, X-ray lasers, magnetic fusion, radiation physics, semiconductor fabrication, accelerator physics and tumor therapy physics. The binary-encounter-Bethe (BEB) model [1], using an analytic formula that requires only two atomic constants, the binding energy and kinetic energy of the electrons, generates direct ionization cross sections for any neutral atom (or molecule), which are reliable in intensity (15%) and shape from the ionization threshold to a few keV in the incident energy [3], or to thousands keV if we consider its relativistic version(RBEB) [2]. In this work we present K- and L-shell ionization cross sections calculations for heavy atoms.
Guerra, M., R. M. Pinto, J. P. Santos, and A. C. S. Paiva. "Towards the assignment of the REMPI spectrum of Ph 2O using CIS and TD-DFT methods." Molecular Physics 111 (2013): 3311-3319. AbstractWebsite
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Guerra, M., P. Amaro, J. Machado, and J. P. Santos. "Single differential electron impact ionization cross sections in the binary-encounter- Bethe approximation for the low binding energy regime." Journal of Physics B: Atomic, Molecular and Optical Physics 48 (2015): 1-9. AbstractWebsite

Journal of Physics B: Atomic, Molecular and Optical Physics, 48(2015) 185202. doi:10.1088/0953-4075/48/18/185202

Guerra, M., J. M. Sampaio, F. Parente, P. Indelicato, P. Hönicke, M. Muller, B. Beckhoff, J. P. Marques, and J. P. Santos. "{Theoretical and experimental determination of $K$- and $L$-shell x-ray relaxation parameters in Ni}." Phys. Rev. A 97 (2018): 042501. Abstract
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Guerra, M., F. Parente, and J. P. Santos. "Electron impact ionization cross sections of several ionization stages of Kr, Ar and Fe." International Journal of Mass Spectrometry 348 (2013): 1-8. AbstractWebsite

International Journal of Mass Spectrometry, 348 (2013) 1-8. doi:10.1016/j.ijms.2013.02.011

Guerra, M., F. Parente, P. Indelicato, and J. P. Santos. "Modified binary encounter Bethe model for electron-impact ionization." Int. J. Mass Spectrom. 313 (2012): 1. AbstractWebsite

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.
The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.
The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

Guerra, M., C. Ferreira, M. L. Carvalho, J. P. Santos, and S. Pessanha. "Distribution of toxic elements in teeth treated with amalgam using μ-energy dispersive X-ray fluorescence." Spectrochimica Acta Part B: Atomic Spectroscopy 122 (2016): 114-117. AbstractWebsite

Spectrochimica Acta Part B: Atomic Spectroscopy, 122 (2016) 114-117. doi:10.1016/j.sab.2016.06.006

Guerra, M., P. Amaro, C. I. Szabo, A. Gumberidze, P. Indelicato, and J. P. Santos. "Analysis of the charge state distribution in an ECRIS Ar plasma using high-resolution x-ray spectra." Journal of Physics B: Atomic, Molecular and Optical Physics 46 (2013): 065701. AbstractWebsite

In this work, we obtained a charge state distribution inside an Ar plasma produced by an electron–cyclotron-resonance ion source. The processes that lead to the observed lines in x-ray spectra are identified and included in the simulated x-ray spectrum. The geometrical constraints of the flat double crystal spectrometer, used to measure the x-ray spectrum, are investigated as they are crucial for correctly obtaining the ion densities from the observed transition amplitudes. Multiple electron impact ionization is included, and a realistic electron velocity distribution is taken into account. The charge state distribution of the Ar ions is compared to measured extracted ionic currents.

Guerra, M., R. M. Pinto, J. P. Santos, and A. C. S. Paiva. "Towards the assignment of the REMPI spectrum of Ph 2O using CIS and TD-DFT methods." Molecular Physics 111 (2013): 3311-3319. AbstractWebsite
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Guerra, M., F. Parente, P. Indelicato, and J. P. Santos. "Modified binary encounter Bethe model for electron-impact ionization." International Journal of Mass Spectrometry Accepted (2011). Abstract

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83.Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

Guerra, M., P. Amaro, J. P. Santos, and P. Indelicato. "Relativistic calculations of screening parameters and atomic radii of neutral atoms." Atomic Data and Nuclear Data Tables 117-118 (2017): 439-457. AbstractWebsite

Atomic Data and Nuclear Data Tables, 117-118 (2017) 439-457. doi:10.1016/j.adt.2017.01.001

Guerra, M., F. Parente, P. Indelicato, and J. P. Santos. "Modified binary encounter Bethe model for electron-impact ionization." International Journal of Mass Spectrometry 313 (2012): 1. AbstractWebsite

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

Guerra, M., F. Parente, and J. P. Santos. "Electron impact ionization of atomic target inner-shells." Journal of Physics: Conference Series 194 (2009): 042047. AbstractWebsite

There is a need for reliable theoretical methods to calculate electron-impact total ionization cross sections for the large number of neutral atoms and ions with open shell structures. These cross sections are used in a wide range of scientific and industrial applications, such as astrophysical plasmas, atmospheric science, X-ray lasers, magnetic fusion, radiation physics, semiconductor fabrication, accelerator physics and tumor therapy physics. The binary-encounter-Bethe (BEB) model [1], using an analytic formula that requires only two atomic constants, the binding energy and kinetic energy of the electrons, generates direct ionization cross sections for any neutral atom (or molecule), which are reliable in intensity (15%) and shape from the ionization threshold to a few keV in the incident energy [3], or to thousands keV if we consider its relativistic version(RBEB) [2]. In this work we present K- and L-shell ionization cross sections calculations for heavy atoms.

Guerra, M., J. M. Sampaio, T. I. Madeira, F. Parente, P. Indelicato, J. P. Marques, J. P. Santos, J. Hoszowska, Cl J. Dousse, L. Loperetti, F. Zeeshan, M. Muller, R. Unterumsberger, and B. Beckhoff. "Theoretical and experimental determination of L-shell decay rates, line widths, and fluorescence yields in Ge." Physical Review A 92 (2015): 022507-9. AbstractWebsite
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Guerra, M., F. Parente, and J. P. Santos. "Electron impact ionization cross sections of several ionization stages of Kr, Ar and Fe." International Journal of Mass Spectrometry 348 (2013): 1-8. AbstractWebsite

International Journal of Mass Spectrometry, 348 (2013) 1-8. doi:10.1016/j.ijms.2013.02.011

Grilo, Filipe, Chintan Shah, Steffen Kühn, René Steinbrügge, Keisuke Fujii, José Marques, Ming Feng Gu, José Paulo Santos, José Crespo R. López-Urrutia, and Pedro Amaro. "Comprehensive Laboratory Measurements Resolving the {LMM} Dielectronic Recombination Satellite Lines in Ne-like Fe xvii Ions." The Astrophysical Journal 913 (2021): 140. AbstractWebsite
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Fratini, F., L. Safari, P. Amaro, and J. P. Santos. "{Two-photon processes based on quantum commutators}." (2018): 1-13. Abstract
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