Characterization and HARmonization for Industrial Standardisation of advanced MAterials

Livrables

Guidance for implementation of Raman spectroscopy in industrial processes

Guidance document for the implementation of harmonised Raman spectroscopy in industrial processes.

We will report on the interaction of CHARISMA with the related standardisation technical committees. The document will summarize all activities and results of the project contributing to ongoing and/or future standardisation developments.

Communication and dissemination activities

The activities included in the communication plan will be reported yearly including the development of a brand identity and website in M3 and continuous targeted activities as well as integrated communication campaigns across online and offline channels

Standardisation in Raman spectroscopy

Report on the state of the art in Raman standardisation and guidelines from the perspective of modelling WP2 hardware and procedures for calibration and measurement WP3 analysis WP4 and ontology WP5 The report will be the result of T31 T51 and T71 in the frame of TF1 standards It will contain a general overview of all Technical Standardisation Committees relevant for the development of the CHARISMA solutions as well as the published standards and those under development T71 M3 It will also contain a deep analysis of these standards and any other publications guidelines and information related to Raman spectrum recording and normalisation T31 M5 divided in 3 groups hardware firmware preprocessing and sample and sampling effects postacquisition processing and analysis T41 M5 and representation T51 will cover relevant IoT standards API formats ontologies and databases

Data structure for harmonised Raman data

Documents defining describing and Python classes implementing the universal Raman data CHADA structure including rationale

Standard operation procedure for CHADA

SOP (standard operation procedure) document describing the CHADA structure and appropriate data processing for CHADA.

Set of harmonised computed spectra

A report and files containing the energetic, electronic and reactivity properties and the Raman spectra compatible with CHADA and MODA for the selected systems will be generated and published in a common repository NoMAD and CHARISMA database.

Executable software for CHADA generation and chemometrics with corresponding SOP

Executable Win/Mac/Unix program, or Docker container for implementation of web applications.

Publications

Spectra Stream Tutorial - an online application for Raman calibration

Auteurs: Marinov, Evgeniy; ILIEV, Luchesar; Georgi, Georgiev; Kochev, Nikolay; Raquel, Portela; Jeliazkova, Nina
Publié dans: Spectra Stream Tutorial - an online application for Raman calibration, 2023
Éditeur: CHARISMA
DOI: 10.5281/zenodo.14028242

"Report on 1st Co-creation Workshop of NanoMECommons project: "" Materials characterisation challenges to support the industry transition in the digital era"""

Auteurs: Adamovic, Nadja; Banares, Miguel; Boskovic, Bojan; Ma��gorzata Celuch; Charitidis, Costas; Dykeman, Donna; Goldbeck, Gerhard; Kada, Gerard; Kakogiannos, Ioannis; Katsavrias, Athanasios; Kienberger, Ferry; Konstantopoulos, Georgios; Koumoulos, Elias; Kr��ll, Mirco; Argiris Laskarakis; Stergos Logothetidis; Nikoloudakis, Nikolaos; De Oliveira, Rui; Pira, Nello Li; Ryder, Alan; Sebastiani, Ma
Publié dans: Numéro 5, 2022
Éditeur: ZENODO
DOI: 10.5281/zenodo.6339984

ORANCHADA visual guide (Widget usage examples)

Auteurs: Kochev, Nikolay; Tancheva, Gergana; Tsoneva, Slava; Tsokova, Gergana; Georgiev, Georgi; Iliev, Luchesar; Jeliazkova, Nina
Publié dans: ORANCHADA visual guide (Widget usage examples), 2024
Éditeur: ZENODO
DOI: 10.5281/zenodo.14038571

Supplemental Material - Chemometrics for Raman Spectroscopy Harmonization

Auteurs: Barton, Bastian; Thomson, James; Lozano Diz, Enrique; Portela, Raquel
Publié dans: Applied Spectroscopy, Numéro 2, 2022
Éditeur: Sage Journals
DOI: 10.25384/sage.19915557

OPEN-SOURCE FOR RAMAN SPECTROSCOPY HARMONISATION

Auteurs: Georgiev, Georgi; Lelinger, Dirk; Iliev, Luchesar; Jeliazkov, Vedrin; Banares, Miguel; Portela, Raquel; Jeliazkova, Nina
Publié dans: Numéro 4, 2023
Éditeur: ZENODO
DOI: 10.5281/zenodo.8029031

"Report on NMBP-35 Workshop: ""From Research to Industry: How Characterisation and Digitization Change the Game"""

Auteurs: Charitidis, Costas; Bañares, Miguel A.; Portela, Raquel; Konstantopoulos, Georgios; Orfanidis, Savvas; Tsatsoulis, Theodoros; Sebastiani, Marco; Zangenberg, Nikolaj; Capria, Ennio; Goldbeck, Gerhard; Simperler, Alexandra; Ortega Garcia, Yanaris
Publié dans: Report on NMBP-35 Workshop, Numéro 6, 2024
Éditeur: CHARISMA
DOI: 10.5281/zenodo.10843531

ORANCHADA visual guide (Widget usage examples)

Auteurs: Kochev, Nikolay; Tancheva, Gergana; Tsoneva, Slava; Tsokova, Gergana; Georgiev, Georgi; Iliev , Luchesar; Jeliazkova,Nina
Publié dans: Numéro 5, 2023
Éditeur: ZENODO
DOI: 10.5281/zenodo.8232578

Materials characterisation and software tools as key enablers in Industry 5.0 and wider acceptance of new methods and products

Auteurs: Georgios Konstantopoulos; Costas A. Charitidis; Miguel A. Bañares; Raquel Portela; Nikolaj Zangenberg; Ennio Capria; Marco Sebastiani; Gerhard Goldbeck; Elias Koumoulos; Bojan Boskovic; Spyros Diplas; Natalia Konchakova; Ilian Todorov; Donna Dykeman; Silvia Giovanna Avataneo; Marco Falzetti; Enrique Lozano Diz; Julian J. Reinosa; Ekaterina Burov; Dejan Škrelić; Nina Jeliazkova; Bastian Barton;
Publié dans: Materials Today Communications, Numéro 36, 2023, ISSN 2352-4928
Éditeur: Elsevier BV
DOI: 10.1016/j.mtcomm.2023.106607

Chemometrics for Raman Spectroscopy Harmonization

Auteurs: Bastian Barton; James Thomson; Enrique Lozano Diz; Raquel Portela
Publié dans: Applied spectroscopy (Online), Numéro 5, 2022, ISSN 1943-3530
Éditeur: Sage Journals
DOI: 10.1177/00037028221094070

Review of Existing Standards, Guides, and Practices for Raman Spectroscopy

Auteurs: Afroditi Ntziouni; James Thomson; Ioannis Xiarchos; Xiang Li; Miguel A. Bañares; Costas Charitidis; Raquel Portela; Enrique Lozano Diz
Publié dans: Applied Spectroscopy, Numéro 1, 2022, ISSN 1943-3530
Éditeur: Sage Journals
DOI: 10.1177/00037028221090988

An intuitive approach for spike removal in Raman spectra based on peaks’ prominence and width

Auteurs: Nicolas Coca-Lopez
Publié dans: Analytica Chimica Acta, Numéro 1295, 2024, Page(s) 342312, ISSN 0003-2670
Éditeur: Elsevier BV
DOI: 10.1016/j.aca.2024.342312

New Protocol for Twinning of Raman Devices Toward a Raman Intensity Harmonization

Auteurs: María Fernández-Álvarez, Alberto Moure, Julián Jiménez Reinosa, Enrique Lozano Diz, José Francisco Fernández
Publié dans: Applied Spectroscopy, Numéro 78, 2025, Page(s) 837-850, ISSN 0003-7028
Éditeur: Society for Applied Spectroscopy
DOI: 10.1177/00037028241260377

Evaluation of poly(lactic acid) and ECOVIO based biocomposites loaded with antimicrobial sodium phosphate microparticles

Auteurs: Mena-Prado, I.; Reinosa, J. J.; Fernández-García, M.; Fernández, J. F.; Muñoz-Bonilla, Alexandra; Campo, A. del
Publié dans: International Journal of Biological Macromolecules, Numéro Volume 253, Part 7, 31 December 2023, 2023, Page(s) N/A, ISSN 1879-0003
Éditeur: Elsevier
DOI: 10.1016/j.ijbiomac.2023.127488

On the Origin of Raman Activity in Anatase TiO2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects

Auteurs: Beata Taudul; Frederik Tielens; Monica Calatayud
Publié dans: Nanomaterials 2023, Numéro 13 (12), 2023, Page(s) Special Numéro Theoretical Calculation and Molecular Modeling of Nanomaterials, ISSN 2079-4991
Éditeur: MDPI
DOI: 10.3390/nano13121856

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