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Publications

Publications by Diana Filipa Guimarães

2023

A field-based evaluation of portable XRF to screen for toxic metals in seafood products

Authors
Roberts, AA; Guimaraes, D; Tehrani, MW; Lin, S; Parsons, PJ;

Publication
X-RAY SPECTROMETRY

Abstract
Portable X-Ray Fluorescence (XRF) has become increasingly popular where traditional laboratory methods are either impractical, time consuming, and/or too costly. While the Limit of Detection (LOD) is generally poorer for XRF compared to laboratory-based methods, recent advances have improved XRF LODs and increased its potential for field-based studies. Portable XRF can be used to screen food products for toxic elements such as lead (Pb), cadmium (Cd), mercury (Hg), arsenic (As), manganese, (Mn), zinc (Zn), and strontium (Sr). In this study, 23 seafood samples were analyzed using portable XRF in a home setting. After XRF measurements were completed in each home, the same samples were transferred to the laboratory for re-analysis using microwave-assisted digestion and Inductively Coupled Plasma Tandem Mass Spectrometry (ICP-MS/MS). Four elements (Mn, Sr, As, and Zn) were quantifiable by XRF in most samples, and those results were compared to those obtained by ICP-MS/MS. Agreement was judged reasonable for Mn, Sr, and As, but not for Zn. Discrepancies could be due to (1) the limited time available to prepare field samples for XRF, (2) the heterogeneous nature of real samples analyzed by XRF, and (3) the small beam spot size (similar to 1 mm) of the XRF analyzer. Portable XRF is a cost-effective screening tool for public health investigations involving exposure to toxic metals. It is important for practitioners untrained in XRF spectrometry to (1) recognize the limitations of portable instrumentation, (2) include validation data for each specific analyte(s) measured, and (3) ensure personnel have some training in sample preparation techniques for field-based XRF analyses.

2023

Characterization of Functional Coatings on Cork Stoppers with Laser-Induced Breakdown Spectroscopy Imaging

Authors
Ferreira, MFS; Guimaraes, D; Oliveira, R; Lopes, T; Capela, D; Marrafa, J; Meneses, P; Oliveira, A; Baptista, C; Gomes, T; Moutinho, S; Coelho, J; da Silva, RN; Silva, NA; Jorge, PAS;

Publication
SENSORS

Abstract
Evaluating the efficiency of surface treatments is a problem of paramount importance for the cork stopper industry. Generically, these treatments create coatings that aim to enhance the impermeability and lubrification of cork stoppers. Yet, current methods of surface analysis are typically time-consuming, destructive, have poor representativity or rely on indirect approaches. In this work, the use of a laser-induced breakdown spectroscopy (LIBS) imaging solution is explored for evaluating the presence of coating along the cylindrical surface and in depth. To test it, several cork stoppers with different shaped areas of untreated surface were analyzed by LIBS, making a rectangular grid of spots with multiple shots per spot, to try to identify the correspondent shape. Results show that this technique can detect the untreated area along with other features, such as leakage and holes, allowing for a high success rate of identification and for its performance at different depths, paving the way for future industry-grade quality control solutions with more complex surface analysis.

2024

From sensor fusion to knowledge distillation in collaborative LIBS and hyperspectral imaging for mineral identification

Authors
Lopes, T; Capela, D; Guimaraes, D; Ferreira, MFS; Jorge, PAS; Silva, NA;

Publication
SCIENTIFIC REPORTS

Abstract
Multimodal spectral imaging offers a unique approach to the enhancement of the analytical capabilities of standalone spectroscopy techniques by combining information gathered from distinct sources. In this manuscript, we explore such opportunities by focusing on two well-known spectral imaging techniques, namely laser-induced breakdown spectroscopy, and hyperspectral imaging, and explore the opportunities of collaborative sensing for a case study involving mineral identification. In specific, the work builds upon two distinct approaches: a traditional sensor fusion, where we strive to increase the information gathered by including information from the two modalities; and a knowledge distillation approach, where the Laser Induced Breakdown spectroscopy is used as an autonomous supervisor for hyperspectral imaging. Our results show the potential of both approaches in enhancing the performance over a single modality sensing system, highlighting, in particular, the advantages of the knowledge distillation framework in maximizing the potential benefits of using multiple techniques to build more interpretable models and paving for industrial applications.

2024

Identification of Relevant Spectral Ranges in Laser-Induced Breakdown Spectroscopy Imaging Using the Fourier Space

Authors
Lopes, T; Capela, D; Ferreira, MFS; Guimaraes, D; Jorge, PAS; Silva, NA;

Publication
APPLIED SPECTROSCOPY

Abstract
Laser-induced breakdown spectroscopy (LIBS) imaging has now a well-established position in the subject of spectral imaging, leveraging multi-element detection capabilities and fast acquisition rates to support applications both at academic and technological levels. In current applications, the standard processing pipeline to explore LIBS imaging data sets revolves around identifying an element that is suspected to exist within the sample and generating maps based on its characteristic emission lines. Such an approach requires some previous expert knowledge both on the technique and on the sample side, which hinders a wider and more transparent accessibility of the LIBS imaging technique by non-specialists. To address this issue, techniques based on visual analysis or peak finding algorithms are applied on the average or maximum spectrum, and may be employed for automatically identifying relevant spectral regions. Yet, maps containing relevant information may often be discarded due to low signal-to-noise ratios or interference with other elements. In this context, this work presents an agnostic processing pipeline based on a spatial information ratio metric that is computed in the Fourier space for each wavelength and that allows for the identification of relevant spectral ranges in LIBS. The results suggest a more robust and streamlined approach to feature extraction in LIBS imaging compared with traditional inspection of the spectra, which can introduce novel opportunities not only for spectral data analysis but also in the field of data compression.

2024

Analysing Heavy Metal Contaminants in Wood Wastes using Laser-Induced Breakdown Spectroscopy (LIBS)

Authors
Capela, D; Lopesa, T; Ferreira, MFS; Magalhaes, P; Jorge, PAS; Silva, NA; Guimaraes, D;

Publication
OPTICAL SENSING AND DETECTION VIII

Abstract
Circular economy policies and recycling play a pivotal role in fostering sustainable models for the wood industry capable of reducing the environmental impact of our consumption patterns. The production of Particleboard is a good example of industry that uses high quantities of recycled wood. However, it poses risks since wood often have contaminants that compromise compliance of safety standards. Thus, it is necessary to develop methodologies for rapid analysis of chemical contaminants in wood wastes that allow easy detection of these elements. In this work, the capability of Laser-induced breakdown spectroscopy (LIBS) to detect a set of heavy metals in wood samples was explored. Some advantages of this technique, such as portability, minimal to no sample preparation, and quick analysis are characteristics that make this method one of the most suitable for this purpose of analysis. In the majority of cases, the contamination comes from the pigments used in paints, varnishes, or coatings. Titanium (Ti) e.g. is a common element in white pigments and Chromium (Cr) in red and green pigments. To ensure the presence or absence of Cr and Ti, a set of 3 lines was analysed. The results revealed the presence of these elements and that 30% of the samples seem to be highly contaminated. The LIBS technique proved to be a powerful methodogy for decision-making purposes.

2024

LIBS imaging as a process control tool in the cork industry

Authors
Ferreira, MFS; Oliveira, R; Capela, D; Lopes, T; Marrafa, J; Meneses, P; Oliveira, A; Baptista, C; Gomes, T; Moutinho, S; Coelho, J; da Silva, RN; Guimaraes, D; Silva, NA; Jorge, PAD;

Publication
OPTICAL SENSING AND DETECTION VIII

Abstract
The application of surface treatments to cork stoppers is presently a common practice in the wine industry, designed to achieve maximum performance and optimal costumer experience of premium products. Unfortunately, current coating techniques lack efficient process control tools, often resulting in faulty products being detected too late, already in use, compromising performance, product quality and mining consumer confidence. In this work a fully automated system equipped with machine vision and automatic feeding of corks, was coupled with an imaging LIBS setup and used to perform a benchmarking against conventional quality control methods. Results clearly demonstrate the capability of the new LIBS system to effectively evaluate in real time the quality of silicone-based surface coatings in cork stoppers, effectively working as a tool for process control providing a route for effective optimization.

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