NECTAR COST Action investigates potential solutions
The thermodynamic study of chemical equilibria embraces all areas of chemical sciences. Chemical compounds are present in different environments. The fundamental knowledge of the thermodynamics of chemical processes has a tremendous impact on many disciplines such as biology, medicine, environmental sciences, agriculture, and engineering.
Speciation modelling based on chemical equilibrium data allows us to identify these forms and is commonly used as a predictive tool for the behaviour of compounds in different environments. This improves commercial products’ performance, discloses the mobility of pollutants and toxicants in the environment, optimises industrial processes, and explains the mode of action of biologically active substances. Furthermore, advanced thermodynamic studies yield deeper insights into the mechanisms of these interactions.
In the last century, many studies were performed on solution thermodynamics and much useful technology has been developed in this area. Still, few improvements have been observed in providing non-specialists and beginners with training and/or easy and reliable methods for the study of chemical thermodynamics and, concurrently, solution equilibria are less frequently considered in university teaching programs.
Introducing NECTAR
To tackle this challenge since 2019, NECTAR COST Action, in which NECTAR stands for Network for Equilibria and Chemical Thermodynamics Advanced Research combines the expertise of a large community of specialists from 31 countries working in this field, creating a network based on the stimulating collaboration between them, promoting knowledge exchange, and achieving high technological progress.
The growing interest in NECTAR Activities and the results achieved by the Action, together with the high-level of scientific discussion, helped create the European NECTAR Conference. In just three editions, the Conference became a reference for the most valuable European research groups working in the fields of Equilibria and Chemical Thermodynamics at all levels.
Late August, NECTAR organised its 3rd European conference, in Ljubljana, Slovenia, registering the participation of researchers from academy, research centres and industrial stakeholders. About one hundred of attendees coming from 22 different countries attended the conference including four keynote lectures, 15 oral communications, and 31 posters.
“The third NECTAR conference went beyond our most optimistic expectations. The scientific level of contributions was very high and opened new perspectives for both the improvement of the quality of produced thermodynamic data and their applications.”
Prof Demetrio Milea, NECTAR Action Chair
Presentations highlighted the importance of having reliable equilibrium data relating the different chemical species formed in solution to understand the fate of metal ions in environment and living systems.
Topics discussed have shown how science can be used for a better understanding of surrounding world and improve the quality of life, as well as serve as stimulus for further fruitful scientific discussion and future collaborations.
For example, copper is an essential trace element that is required by most aquatic organisms in a small amount. Its free metal ion is toxic to most living species. A better understanding of copper biogeochemical cycle and possible mechanisms regulating its toxicity to the aquatic organisms is needed. Therefore, a development of fast and simple method for determination of Cu oxidation states, Cu(I) vs Cu(II), in seawater was discussed.
New probes based on radioisotopes of scandium (43Sc, 44Sc and 47Sc), for early diagnosis of pathological processes and therapy, were also presented. These isotopes are promising elements for new radiopharmaceuticals since they offer one of a few single-element theranostic pairs.
Results on ruthenium complexes were also shown. A possible alternative to cisplatin, one of the most commonly used drugs to treat cancer, which unfortunately causes unpleasant side- effects during treatment. Studies on the behaviour of novel Ru compounds in aqueous solution explain why some of them possess anticancer properties and others do not. Such research activities are important to accelerate the development of new potential anticancer drugs with improved activity and fewer side-effects.
Some of the above metal compounds may undergo oxidation and reduction processes, leading to the production of reactive oxygen species that can further damage the closest surrounding. Monitoring of these processes under different environments and studies of subsequent chemical reactions helps researchers to clarify the mechanisms of action of drug candidates.
There is also an urgent need to develop new drugs to treat infections as drug resistance is one of the leading causes of death worldwide. The design of new gallium-based drug candidates, which are inspired by the Trojan Horse and bacterial hunger for iron to trick bacteria into consuming them was presented. These drug candidates are showing some promising antimicrobial activity in testing, and the determination of their thermodynamic properties in solution is an important early step in drug discovery.
SARS-CoV-2 virus was critical for our global society, causing a widespread pandemic with devastating health, social and economic challenges. Favipiravir, an antiviral drug, has shown promising results in the treatment of the disease. The investigation of its structural properties and abilities to capture metal ions could bring some answers about its biological activity. In addition, it can suggest routes for the development of more efficient antiviral drugs.
“Turning to more technology-related studies, we learnt about work on ionic liquids – salts that are in liquid form and are used for example in batteries and solar cells.”
Prof. Elżbieta Gumienna-Kontecka, Science Communication Coordinator of NECTAR
The properties change when they are combined with other materials, which are present in the device. The studies on the structure and electronic properties that take place in the material when the battery is charged or when the solar cell is working were discussed.
Indium, which is a chemical element being used in many electronic devices, such as screens of mobile phones, will eventually leak to natural waters, and potential toxicity of its chemical forms in different environments is of chief importance.
Overall, proper defining of chemical equilibrium constants and speciation helps to understand which chemical species are present under specific conditions in real systems, such as sea water, blood or batteries. Using this knowledge, we can better understand the fate of metal ions and various compounds in specific systems, their mechanism of action and design more efficient chemicals, including drugs or electronic devices.
The outstanding quality of obtained results will serve as an innovative benchmark for next decades, allowing their application in a variety of areas and impacting life quality of next generations.
Further reading
The book collecting all the abstracts of the communications from attendees can be found here.
NECTAR collaborative papers can be found here.
Additional information
View the Action webpage
View the Network website
