Periodic Reporting for period 3 - CHARISMA (Characterization and HARmonization for Industrial Standardisation of advanced MAterials)
Okres sprawozdawczy: 2023-11-01 do 2024-10-31
The aim of CHARISMA is Raman spectroscopy harmonisation to facilitate the use of web-based FAIR databases and executable applications, allowing widespread implementation of Raman characterisation of nanomaterials in the industry and, in general, an open and more efficient use of this technique, enabling comparison and linking experimental data. The activities in the first 18 months of the project have resulted in important advances toward this direction, and more specifically towards the fulfilment of the following objectives:
Objective 1: Normalise the harmonisation of Raman spectroscopy in the NMBP Community.
Objective 2: Model to harmonise Raman spectroscopy
Objective 3: Harmonise Raman spectra
Objective 4: Harmonise Raman characterisation data
Objective 5: Generate a FAIR Raman data repository
Objective 6: Demonstrate the performance of harmonised Raman characterisation across domains in real industrial cases.
Objective 7: Standardise Raman protocols.
Objective 1: Normalise the harmonisation of Raman spectroscopy in the NMBP Community.
Objective 2: Model to harmonise Raman spectroscopy
Objective 3: Harmonise Raman spectra
Objective 4: Harmonise Raman characterisation data
Objective 5: Generate a FAIR Raman data repository
Objective 6: Demonstrate the performance of harmonised Raman characterisation across domains in real industrial cases.
Objective 7: Standardise Raman protocols.
CHARISMA is proposing new concepts and defining strategies to offer a validated and accessible tool for Raman harmonisation.
The coordination and dissemination teams, via WP 1 and 8, have been working hard to ensure acceptance and future use of CHARISMA’s tools for characterisation in the NMBP domain, including extended onsite delocalised use and industrial implementation. CHARISMA’s WP2 is modelling the materials identified in TF2 to provide an experiment-free characterization where the factors affecting the Raman response are clearly identified, revealing data complementary to, or even inaccessible by experiment. WP3 has designed an instrument harmonisation procedure based on a set of reference materials, including commercial samples and innovative developments, and experimental protocols that is under validation by internal Round Robin. WP4 has provided the software tools to harmonize spectra by applying calibration, noise removal, baseline correction, and normalisation, and store them in a common format along with the applied processing steps. CHARISMA database has been designed in WP5 and it addresses FAIR principles through metadata harmonization and usage in several search engines. The metadata is being harmonized collaboratively using CHARISMA Wikidata instance. ELODIZ, in collaboration with the industrial partners, has designed Raman units and measurement protocols for 3 demonstrators. To successfully transfer the results from CHARISMA to a standard, two steps were required first, which have been accomplished by WP 7.
The coordination and dissemination teams, via WP 1 and 8, have been working hard to ensure acceptance and future use of CHARISMA’s tools for characterisation in the NMBP domain, including extended onsite delocalised use and industrial implementation. CHARISMA’s WP2 is modelling the materials identified in TF2 to provide an experiment-free characterization where the factors affecting the Raman response are clearly identified, revealing data complementary to, or even inaccessible by experiment. WP3 has designed an instrument harmonisation procedure based on a set of reference materials, including commercial samples and innovative developments, and experimental protocols that is under validation by internal Round Robin. WP4 has provided the software tools to harmonize spectra by applying calibration, noise removal, baseline correction, and normalisation, and store them in a common format along with the applied processing steps. CHARISMA database has been designed in WP5 and it addresses FAIR principles through metadata harmonization and usage in several search engines. The metadata is being harmonized collaboratively using CHARISMA Wikidata instance. ELODIZ, in collaboration with the industrial partners, has designed Raman units and measurement protocols for 3 demonstrators. To successfully transfer the results from CHARISMA to a standard, two steps were required first, which have been accomplished by WP 7.
CHARISMA has a strong impact in several different technological and scientific areas, including (but not limited to): producers of spectroscopy systems, industrial users of Raman spectroscopy, future of applications of Raman-active materials, scientific research in physics, chemistry, materials science and biomedicine. In addition, it will strongly promote the business of the industrial partners of the consortium in the areas of nanocatalysts, document security and active packaging for food.
The experiment-free Raman spectra obtained in WP2 set the ground for peak assignment based on physico-chemical equations. This will have an impact, besides the scientific knowledge, in validating the use of spectral peaks for different purposes.
The activies of WP3 have an already noticeable impact within the Raman community. Our efforts towards the harmonization has mobilized asociations like VAMAS and ASTM to start the review process of their protocols and standards; our interlaboraty study will be the seed of near future changes based on our CWAs.
WP4 activities also have a significant impact in the field of Raman spectroscopy by advancing the calibration of Raman devices through the development of innovative algorithms.
The FAIR Raman database at https://spectra.adma.ai(odnośnik otworzy się w nowym oknie) is searchable spectra database with a REST API, implemented using only open-source tools. This database ensures findability through metadata annotation, free-text search, and efficient spectra similarity search and is fully compatible with the eNanoMapper database and NanoSafety Data Interface, facilitating adoption by diverse communities that rely on Raman spectroscopy for analytical purposes.
FNMT will provide for different users new feature options better in price, and the users will be free to purchase the detection equipment according to their specific use, as forensic or portable equipment for simple pass/fail functions. Encapsulae will commercialise new sustainable pigments with whitening and opacifying properties that use up to 75% less TiO2 than state-of-the-art pigments, based on improved dispersion of the TiO2 particles, which is controlled by Raman spectroscopy.
Standardization activities under WP7 enhanced the impact of CHARISMA . the publication of CWA 18133:2024 and CWA 18134:2024 based in CHARISMA results provides an additional and powerful impact tool.
The communication, dissemination and exploitation activities within the CHARISMA project via WP8 have yielded substantial positive impacts.
The experiment-free Raman spectra obtained in WP2 set the ground for peak assignment based on physico-chemical equations. This will have an impact, besides the scientific knowledge, in validating the use of spectral peaks for different purposes.
The activies of WP3 have an already noticeable impact within the Raman community. Our efforts towards the harmonization has mobilized asociations like VAMAS and ASTM to start the review process of their protocols and standards; our interlaboraty study will be the seed of near future changes based on our CWAs.
WP4 activities also have a significant impact in the field of Raman spectroscopy by advancing the calibration of Raman devices through the development of innovative algorithms.
The FAIR Raman database at https://spectra.adma.ai(odnośnik otworzy się w nowym oknie) is searchable spectra database with a REST API, implemented using only open-source tools. This database ensures findability through metadata annotation, free-text search, and efficient spectra similarity search and is fully compatible with the eNanoMapper database and NanoSafety Data Interface, facilitating adoption by diverse communities that rely on Raman spectroscopy for analytical purposes.
FNMT will provide for different users new feature options better in price, and the users will be free to purchase the detection equipment according to their specific use, as forensic or portable equipment for simple pass/fail functions. Encapsulae will commercialise new sustainable pigments with whitening and opacifying properties that use up to 75% less TiO2 than state-of-the-art pigments, based on improved dispersion of the TiO2 particles, which is controlled by Raman spectroscopy.
Standardization activities under WP7 enhanced the impact of CHARISMA . the publication of CWA 18133:2024 and CWA 18134:2024 based in CHARISMA results provides an additional and powerful impact tool.
The communication, dissemination and exploitation activities within the CHARISMA project via WP8 have yielded substantial positive impacts.