Physicochemical fingerprinting of thermal waters of Beira Interior region of Portugal

Mineral natural waters and spas have been used for therapeutic purposes for centuries, with Portugal being a very rich country in thermal waters and spas that are mainly distributed by northern and central regions where Beira Interior region is located. The use of thermal waters for therapeutic purposes has always been aroused a continuous interest, being dependent on physicochemical fingerprinting of this type of waters the indication for a treatment in a specific pathological condition. In the present work, besides a literature review about the physicochemical composition of the thermal waters of the Beira Interior region and its therapeutic indications, it was carried out an exhaustive multivariate analysis—principal component analysis and cluster analysis—to assess the correlation between different physicochemical parameters and the therapeutic indications claims described for these spas and thermal waters. These statistical methods used for data analysis enables classification of thermal waters compositions into different groups, regarding to the different variable selected, making possible an interpretation of variables affecting water compositions. Actually, Monfortinho and Longroiva are clearly quite different of the others, and Cro ́ and Fonte Santa de Almeida appear together in all analysis, suggesting a strong resemblance between these waters. Thereafter, the results obtained allow us to demonstrate the role of major components of the studied thermal waters on a particular therapeutic purpose/indication and hence based on compositional and physicochemical properties partially explain their therapeutic qualities and beneficial effects on human health. This classification agreed with the results obtained for the therapeutic indications approved by the Portuguese National Health Authority and proved to be a valuable tool for the regional typology of mineral medicinal waters, constituting an important guide of the therapeutic armamentarium for well and specific-oriented pathological disturbs

Mechanochemistry in Portugal—A Step towards Sustainable Chemical Synthesis

LA/P/0140/2020 DL 57/2016 Norma transitória.In Portugal, publications with mechanochemical methods date back to 2009, with the report on mechanochemical strategies for the synthesis of metallopharmaceuticals. Since then, mechanochemical applications have grown in Portugal, spanning several fields, mainly crystal engineering and supramolecular chemistry, catalysis, and organic and inorganic chemistry. The area with the most increased development is the synthesis of multicomponent crystal forms, with several groups synthesizing solvates, salts, and cocrystals in which the main objective was to improve physical properties of the active pharmaceutical ingredients. Recently, non-crystalline materials, such as ionic liquids and amorphous solid dispersions, have also been studied using mechanochemical methods. An area that is in expansion is the use of mechanochemical synthesis of bioinspired metal-organic frameworks with an emphasis in antibiotic coordination frameworks. The use of mechanochemistry for catalysis and organic and inorganic synthesis has also grown due to the synthetic advantages, ease of synthesis, scalability, sustainability, and, in the majority of cases, the superior properties of the synthesized materials. It can be easily concluded that mechanochemistry is expanding in Portugal in diverse research areas.publishersversionpublishe

Near infra red spectroscopy as a multivariate process analytical tool for predicting pharmaceutical co-crystal concentration

YesThe use of near infra red spectroscopy to predict the concentration of two pharmaceutical co-crystals; 1:1 ibuprofen – nicotinamide (IBU-NIC) and 1:1 carbamazepine – nicotinamide (CBZ-NIC) has been evaluated. A Partial Least Squares (PLS) regression model was developed for both co-crystal pairs using sets of standard samples to create calibration and validation data sets with which to build and validate the models. Parameters such as the root mean square error of calibration (RMSEC), root mean square error of prediction (RMSEP) and correlation coefficient were used to assess the accuracy and linearity of the models. Accurate PLS regression models were created for both co-crystal pairs which can be used to predict the co-crystal concentration in a powder mixture of the co-crystal and the active pharmaceutical ingredient (API). The IBU-NIC model had smaller errors than the CBZ-NIC model, possibly due to the complex CBZ-NIC spectra which could reflect the different arrangement of hydrogen bonding associated with the co-crystal compared to the IBU-NIC co-crystal. These results suggest that NIR spectroscopy can be used as a PAT tool during a variety of pharmaceutical co-crystal manufacturing methods and the presented data will facilitate future offline and in-line NIR studies involving pharmaceutical co-crystals

’Litteras arena conspergere’. Uncovering blotting sands on the Portuguese Inquisition documents

Historical and archival research focused on the Portuguese Inquisition documents (1551–1800) uncovered the use of arena known as blotting sands, a writing accessory used to hasten ink drying. We present in this work the first systematic study combining image analysis, SEM/EDS and µ-Raman techniques, statistics and chemometrics to characterise the blotting sands used by the Portuguese Inquisition and hypothesise their provenance. Iron-titanium and iron oxide minerals categorised as texturally mature sands are the dominant species, consistent with sediment extraction from fluvial or beach contexts and later processed. Chemometrics unveiled time period trends by clustering the samples according to morphology and composition data. This work constitutes a groundbreaking step towards uncovering this intricate writing tool.PTDC/ART-HIS/32327/2017; UIDB/04449/2020; UIDP/04449/2020; LA/P/0132/2020, UIDB/00057/2020; SFRH/BD/147528/2019; PTDC/ART-HIS/32327/201

Litteras arena conspergere. Uncovering blotting sands on the Portuguese Inquisition documents

Historical and archival research focused on the Portuguese Inquisition documents (1551–1800) uncovered the use of arena known as blotting sands, a writing accessory used to hasten ink drying. We present in this work the first systematic study combining image analysis, SEM/EDS and µ-Raman techniques, statistics and chemometrics to characterise the blotting sands used by the Portuguese Inquisition and hypothesise their provenance. Iron-titanium and iron oxide minerals categorised as texturally mature sands are the dominant species, consistent with sediment extraction from fluvial or beach contexts and later processed. Chemometrics unveiled time period trends by clustering the samples according to morphology and composition data. This work constitutes a groundbreaking step towards uncovering this intricate writing tool

Surveying an activated sludge reactor using online UV-visible and NIR spectroscopy and chemometrics

The performance of activated sludge reactors can be enhanced by the ability to monitor the status of the process without the need for chemicals addition or complex calibration procedures. Nowadays automation is still limited by poor sensor performance and high maintenance costs. Spectroscopic methods associated with chemometrics are being presented as a powerful tool for process monitoring and control. Once implemented, the method is fast, non-destructive and it can be implemented online, permitting to rapidly infer about the status of the process being monitored. In this work, UV-Visible and Near Infra-Red (NIR) Spectroscopy were used to monitor an activated sludge reactor using immersion probes that were connected to the respective spectrophotometers using optical fibbers. During the monitoring period, changes were induced in the system to test the ability of the monitoring scheme to detect them. The results obtained so far show that it is possible to clearly detect changes in the influent composition as well as the effects of a sudden increase in the influent flow which are among the most common problems that can disturb a biological WWT system. The use of the NIR range for this application is not as common as the UV-Visible range and a direct comparison will allow taking conclusions about the advantages and/or disadvantages of one compared to the other