Resultados relacionados
Resultados totales (Incluyendo duplicados): 16Encontrada(s) 1 página(s)
Artículo científico (JournalArticle). 2023
Review of Existing Standards, Guides, and Practices for Raman Spectroscopy
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Ntziouni, Afroditi
- Thomson, James
- Xiarchos, Ioannis
- Li, Xiang
- Bañares, Miguel A.
- Charitidis, Costas
- Portela, Raquel
- Lozano-Diz, E.
[EN] Over the past decades Raman spectroscopy has been extensively used both on an industrial and academic level. This has resulted in the development of numerous specialized Raman techniques and Raman active products, which in turn has led to the adoption and development of standards and norms pertaining to Raman unit’s calibration, performance validation, and interoperability. Purpose of the present review is to list, classify, and engage in a comprehensive analysis of the different standards, guides, and practices relating to Raman spectroscopy. Primary aim of the review is to consider the commonalities and conflicts between these standards and norms and to identify any missing aspects. Standardization in the field of Raman spectroscopy is dominated by the work of American institutions, namely, the American Society of Testing Materials (ASTM or ASTM International), with several active standards in place pertaining to terminology, calibration, multivariate analysis, and specific applications, and the National Institute of Standards and Technology (NIST), providing numerous certified reference materials, referred to as standard reference materials. The industrial application of Raman spectroscopy is dominated by the pharmaceutical industry. As such, pharmacopoeias provide not only important information in relation to pharmaceutical-related applications of Raman spectroscopy, but also invaluable insight, into the basic principles of Raman spectroscopy and important aspects that include calibration, validation, measurement, and chemometric analysis processes, usually by referring to ASTM and NIST standards. Given the fact that Raman spectroscopy is a modern and innovative field, the standardization processes are complex and constantly evolving. Despite the seemingly high number of existing standards, the standardization landscape is incomplete and has not been modernized according to the developments in Raman spectroscopy techniques in recent years. This is evident by the lack of protocols for numerous areas as well as by the fact that some of the existing standards have not been updated to reflect the advances in the technique. Therefore, it is important for the Raman community to actively engage in and contribute to a modernization process that will result in updating existing and introducing new terms, protocols, and guides. Indeed, the development of optimized common standards would be extremely beneficial and would further foster the development and application of Raman spectroscopy techniques, most notably those of surface enhanced Raman spectroscopy and low-resolution portable analyzers. (Figure presented.)., The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work
was supported by the EU H2020 Project, “Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
was supported by the EU H2020 Project, “Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
Proyecto: EC/H2020/952921
Artículo científico (JournalArticle). 2024
Evaluation of poly(lactic acid) and ECOVIO based biocomposites loaded with antimicrobial sodium phosphate microparticles
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Mena-Prado, I.
- Jiménez Reinosa, Julián
- Fernández-García, Marta
- Fernández, J. F.
- Muñoz-Bonilla, Alexandra
- Campo, Ángel Adolfo del
Herein, biobased composite materials based on poly(lactic acid) (PLA) and poly(butylene adipate-co-terephthalate) (PBAT) as matrices, sodium hexametaphosphate microparticles (E452i, food additive microparticles, 1 and 5 wt%) as antimicrobial filler and acetyl tributyl citrate (ATBC, 15 wt%) as plasticizer, were developed for potential food packaging applications. Two set of composite films were obtained by melt-extrusion and compression molding, i) based on PLA matrix and ii) based on Ecovio® matrix (PLA/PBAT blend). Thermal characterization by thermogravimetric analysis and differential scanning calorimetry demonstrated that the incorporation of E452i particles improved thermal stability and crystallinity, while the mechanical test showed an increase in the Young's modulus. E452i particles also provide antimicrobial properties to the films against food-borne bacteria Listeria innocua and Staphylococcus aureus, with bacterial reduction percentages higher than 50 % in films with 5 wt% of particles. The films also preserved their disintegradability as demonstrated by an exhaustive characterization of the films under industrial composting conditions. Therefore, the results obtained in this work reveal the potential of these biocomposites as appropriated materials for antibacterial and compostable food packaging films., This work was supported by the EU H2020 Project, “Characterisation
and Harmonisation for Industrial Standardisation of Advanced Mate-
rials” (CHARISMA), under Grant Agreement no. 952921, Peer reviewed
and Harmonisation for Industrial Standardisation of Advanced Mate-
rials” (CHARISMA), under Grant Agreement no. 952921, Peer reviewed
Proyecto: EC/H2020/952921
Artículo científico (JournalArticle). 2023
Materials characterisation and software tools as key enablers in Industry 5.0 and wider acceptance of new methods and products
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Konstantopoulos, G.
- Charitidis, C.A.
- Bañares, Miguel A.
- Portela, Raquel
- Zangenberg, N.
- Capria, E.
- Sebastiani, M.
- Goldbeck, G.
- Koumoulos, E.
- Boskovic, B.
- Diplas, S.
- Konchakova, N.
- Todorov, I.
- Dykeman, D.
- Avataneo, S.G.
- Falzetti, M.
- Diz, E.L.
- Reinosa, Julián J.
- Burov, E.
- Škrelić, D.
- Jeliazkova, N.
- Barton, Bastian
- Masotti, G.
- Tamarozzi, T.
- Alcón, I.M.
Recently, the NMBP-35 Horizon 2020 projects - NanoMECommons, CHARISMA, and Easi-stress - organised a collaborative workshop to increase awareness of their contributions to the industry “commons” in terms of characterisation and digital transformation. They have established interoperability standards for knowledge management in characterisation and introduced new solutions for materials testing, aided by the standardisation of faster and more accurate assessment methods. The lessons learned from these projects and the discussions during the joint workshop emphasised the impact of recent developments and emerging needs in the field of characterisation. Specifically, the focus was on enhancing data quality through harmonisation and standardisation, as well as making advanced technologies and instruments accessible to a broader community with the goal of fostering increased trust in new products and a more skilled society. Experts also highlighted how characterisation and the corresponding experimental data can drive future innovation agendas towards technological breakthroughs. The focus of the discussion revolved around the characterisation and standardisation processes, along with the collection of modelling and characterisation tools, as well as protocols for data exchange. The broader context of materials characterisation and modelling within the materials community was explored, drawing insights from the Materials 2030 Roadmap and the experiences gained from NMBP-35 projects. This whitepaper has the objective of addressing common challenges encountered by the materials community, illuminating emerging trends and evolving techniques, and presenting the industry's perspective on emerging requirements and past success stories. It accomplishes this by providing specific examples and highlighting how these experiences can create fresh opportunities and strategies for newcomers entering the market. These advancements are anticipated to facilitate a more efficient transition from Industry 4.0 to 5.0 during the industrial revolution. © 2023, The Workshop was supported by EU H2020 project NanoMECommons, GA 952869, CHARISMA, GA 952921, EASI-STRESS, GA 953219, and EsSENce COST ACTION CA19118. This article/publication is based upon work from COST Action EsSENce COST ACTION CA19118, supported by COST (European Cooperation in Science and Technology).
Miguel A. Bañares, Raquel Portela, Nina Jeliazkova, Enrique Lozano, Bastian Barton and Iván Moya have received financial support from the EU H2020 project CHARISMA, GA n. 952921, Bojan Boskovic, Ennio Capria, Costas Charitidis, Donna Dykeman, Spyros Diplas, Gerhard Goldbeck, Marco Sebastiani, Elias Koumoulos, Silvia Giovanna Avataneo, Miguel A. Bañares, Raquel Portela, Anastasia Alexandratou, Athanasios Katsavrias, Fotis Mystakopoulos have received financial support from the EU H2020 project NanoMECommons, GA n. 952869, Nikolaj Zangernberg and Ennio Capria have received financial support from the EU H2020 project EASI-STRESS, GA n. 953219, Natalia Konchakova has received financial support from the EU H2020 project VIPCOAT, GA n. 952903, Costas Charitidis, Elias Koumoulos, and Spyros Diplas have received financial support from the EsSENce COST ACTION CA19118.
All authors would like to specially acknowledge Anastasia Alexandratou, Athanasios Katsavrias and Fotis Mystakopoulos for their support in NMBP-35 joint Workshop organisation and documentation, and Steffen Neumann for his insights during the NMBP-35 joint Workshop discussions., Peer reviewed
Miguel A. Bañares, Raquel Portela, Nina Jeliazkova, Enrique Lozano, Bastian Barton and Iván Moya have received financial support from the EU H2020 project CHARISMA, GA n. 952921, Bojan Boskovic, Ennio Capria, Costas Charitidis, Donna Dykeman, Spyros Diplas, Gerhard Goldbeck, Marco Sebastiani, Elias Koumoulos, Silvia Giovanna Avataneo, Miguel A. Bañares, Raquel Portela, Anastasia Alexandratou, Athanasios Katsavrias, Fotis Mystakopoulos have received financial support from the EU H2020 project NanoMECommons, GA n. 952869, Nikolaj Zangernberg and Ennio Capria have received financial support from the EU H2020 project EASI-STRESS, GA n. 953219, Natalia Konchakova has received financial support from the EU H2020 project VIPCOAT, GA n. 952903, Costas Charitidis, Elias Koumoulos, and Spyros Diplas have received financial support from the EsSENce COST ACTION CA19118.
All authors would like to specially acknowledge Anastasia Alexandratou, Athanasios Katsavrias and Fotis Mystakopoulos for their support in NMBP-35 joint Workshop organisation and documentation, and Steffen Neumann for his insights during the NMBP-35 joint Workshop discussions., Peer reviewed
Artículo científico (JournalArticle). 2024
Experimental characterization data on aggregates from construction and demolition wastes for the assistance in sorting and recycling practices
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Marín Cortés, Sonia
- Fernández-Álvarez, María
- Enríquez Pérez, Esther
- Fernández Lozano, José Francisco
12 pags., 4 figs., 5 tabs., Nowadays, the circular economy of construction materials is a challenge that can offer great benefits in environmental, social and economic aspects. This work provides a set of practical data and interpretations for eleven common inorganic building materials as well as basis for their adequate characterization for the purpose of their valuation as secondary raw materials. The studied materials were divided in three main groups: ceramic (i.e., solid and hollow red bricks, porcelain and extruded stoneware tiles, red and white wall tiles and sanitary ware), gypsum-based (i. e., plaster and plasterboard) and cement-based (i.e., mortar and concrete) materials. This work pursues to stablish the main differences between inorganic construction materials to provide a reliable, complete, and convenient information to be used in scientific or industrial appliances, compiling valuable information, with special emphasis on spectroscopic characterization. In addition, Raman spectroscopy allows an advantageous characterization, successfully demonstrating the identification through chemometric models of ternary mixtures of construction materials. One target application for this analysis is the classification and separation of demolition waste materials for their further recycling, contributing this way to the circular economy and thus, the sustainable development of the society., The authors gratefully acknowledge the financial support of the European Union’s Horizon 2020 research and innovation programmes
ICEBERG (No. 869336) and CHARISMA grant (No. 952921) for their financial support. María Fernandez- ´ Alvarez ´ acknowledges the financial
support from MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR (Grant No FJC2021-047888-I)
ICEBERG (No. 869336) and CHARISMA grant (No. 952921) for their financial support. María Fernandez- ´ Alvarez ´ acknowledges the financial
support from MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR (Grant No FJC2021-047888-I)
Proyecto: EC, EC/H2020, H2020/869336, 952921
Artículo científico (JournalArticle). 2024
Enhancing functional properties of compostable materials with biobased plasticizers for potential food packaging applications
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Mena-Prado, I.
- Navas-Ortiz, E.
- Fernández-García, Marta
- Blázquez-Blázquez, Enrique
- Limbo, Sara
- Rollini, Manuela
- Martins, D. M.
- Muñoz-Bonilla, Alexandra
- Campo, Ángel Adolfo del
The demand of non-toxic and biobased plasticizers is substantially growing, particularly in biodegradable thermoplastics-based packaging applications. Herein, a derivative of citric acid (CITREM-LR10), usually used as food additive, was evaluated for the first time as plasticizer in PLA and Ecovio® biopolymers. Films containing 10 %(w/w) of CITREM-LR10 were prepared and compared with films plasticized with another biobased compound, SOFT-NSAFE, derived from acetic acid. The incorporation of both plasticizers provokes a slight reduction of the glass transition, however, only CITREM-LR10 was able to augment the elongation at break value of PLA films. A further evaluation of the films by Raman confocal microscopy showed the segregation of the CITREM-LR10 in microdomains, which could explain the enhanced elongation at break value, behaving as stress concentrators. In addition, CITREM-LR10 provides antimicrobial activity against S. aureus and both plasticizers give antioxidant properties, and almost negligible diffusion in food simulated solution. Composting studies showed that the plasticizers do not have effect on the disintegration rate of the films. In spite of these outstanding properties, the water vapour and oxygen barrier properties of the films worsen with its incorporation, therefore, the inclusion of fillers in the material together with the plasticizers would be necessary to improve such properties for food packaging applications., This work was supported by the EU H2020 Project, “Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921. Ignacio Mena also thanks CSIC for his IMOVE23049 grant.
Proyecto: EC/H2020/952921
Otros (Other). 2024
Spike detection algorithms for Raman spectroscopy: A comparative study
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Georgiev, Georgi
- Portela, Raquel
- Bañares, Miguel A.
- Coca-López, Nicolás
Energetic charged particles from the secondary cosmic radiation may interact with Raman measuring devices, leading to local charge anomalies in the signal from the CCD detector represented as single to few samples wide spikes in the resulting Raman spectrum. If not handled properly, these spikes may lead to errors in subsequent data processing steps. There are no practical means to shield the energetic muons, thus spike removal is a common and fundamental step in Raman spectral data pre-treatment. Commercial software from Raman instrument manufacturers usually provide spike removal tools, but the algorithms are not available to users and automation or control of the corrections is impossible. Open-source tools for spike removal are also limited. Moreover, the performance of these tools is rarely validated or benchmarked. The present work is an introduction to a bigger study which aims to perform a systematic comparison of spike removal algorithms. The methodology consists of artificially introduced spikes on a spike-free spectrum. Minimum detectable spike amplitude for four different algorithms is studied by performing a scan, varying the location and amplitude of the artificial spikes. Studied algorithms are made available in RamanChada2 library. © 2024 SPIE., MAB, RP and NCL acknowledge the EU H2020 Project, “Characterisation and Harmonisation for Industrial
Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
Standardisation of Advanced Materials” (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
Proyecto: EC/H2020/952921
Artículo científico (JournalArticle). 2024
New Protocol for Twinning of Raman Devices Toward a Raman Intensity Harmonization
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Fernández-Álvarez, María
- Moure Arroyo, Alberto
- Jiménez Reinosa, Julián
- Diz, E.L.
- Fernández Lozano, José Francisco
The use of Raman spectroscopy has rapidly been on the rise across a great number of industries where comparability, reproducibility, and reliability of the data are of paramount importance. However, controlling the intensity of the Raman signal depends on a large number of factors such as the wavelength of the laser light, the optical components of each device, or the number of molecules in the illuminated volume. For this reason, in this study, a new protocol has been applied to twin Raman devices to achieve a conversion of the signal between them, by pairing the intensity response of the units using a reference sample. The new reference material is a homogenous dispersion of a 0.5 wt% anatase (titanium dioxide, or TiO2) in an epoxy resin matrix, with deviations <2.5% in Raman intensity across the reference material. The proposed protocol for Raman-twinned devices takes a well-defined approach that leads to obtaining a correction factor that relates the differences in the signal intensity between the two Raman devices, in order to obtain the same Raman intensity counts. The performance of the proposed method was evaluated based on the data from the devices, which presented the most common user cases: twinning Raman devices of the non-confocal same model for two different wavelengths; and twinning confocal and non-confocal devices. The results obtained show that the protocol has worked for both of the Raman twinning cases, allowing the Raman intensity harmonization of Raman spectra between two different devices. © The Author(s) 2024., The authors disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work was supported by EU H2020 Project CHARISMA (Grant No 952921). M.F.A acknowledges the financial support from MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR (Grant No FJC2021-047888-I)., Peer reviewed
Proyecto: EC/H2020/952921, FJC2021-047888-I
Artículo científico (JournalArticle). 2024
Plasticizing PLA with Biobased Fatty Esters: Comprehensive Study on Film Properties
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Mena-Prado, Ignacio
- Fernández-García, Marta
- Blázquez-Blázquez, Enrique
- Muñoz-Bonilla, A.
- Campo, Ángel Adolfo del
- Muñoz-Bonilla, Alexandra
ACETEM (E472a) and CITREM (E472c) are fatty acid esters used as additives in the food industry to improve quality, stability and sensory properties of food products due to their emulsifying, stabilizing properties, and antioxidant and antimicrobial activities. Herein, we have explored their use as active plasticizers in one of the most used biobased polymers, polylactic acid (PLA). Initially, different CITREMs (LR10, SP70, RO and VEG) and ACETEM (SOFT-NSAFE), with a variety of compositions and physical states at room temperature, were characterized. The studied fatty acid esters demonstrate good thermal stability and moderate to good antioxidant properties. Subsequently, PLA films containing 10% of the tested fatty acid esters were prepared by melt extrusion and posterior compression molding. The obtained films were analyzed by different characterization techniques to evaluate their role as active plasticizers. Raman confocal microscopy showed that SOFT-NSAFE is homogeneously distributed in the PLA films, whereas CITREMs form microdomains due to their immiscibility with PLA. The incorporation of these plasticizers decreases the tensile strength, Young’s modulus and glass transition temperature. However, only CITREM-LR10 is able to significantly enhance the elongation at break of PLA up to 42%, due to the elongation and orientation of the microdomains along the cracks formed during the tensile test. Additionally, their incorporation provides antioxidant properties to the PLA films, being CITREM LR10, SP70 and SOFT-NSAFE that impart higher activity. In terms of antimicrobial activity, CITREM-LR10 showed effectiveness against S. aureus, while SOFT-NSAFE was active against L. innocua bacteria. These results open the possibility to use such CITREM and ACETEM food additives as plasticizers in films for a variety of applications such as active food packaging. © The Author(s) 2024., This work was supported by the EU H2020 Project, "Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials" (CHARISMA), under Grant Agreement no. 952921., Peer reviewed
Proyecto: EC/H2020/952921
Set de datos (Dataset). 2025
List of standards related to Raman spectroscopy
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Portela, Raquel
- Ntziouni, Afroditi
- Moya, Iván
- Coca-López, Nicolás
- Lozano-Diz, E.
Comprehensive list of existing and under development standards related to Raman spectroscopy, including documents and certified reference materials, clasifid by topic.
This is a copy of a living document; an updated version will be regularly uploaded. If you are aware of a certified reference material or standard document that is not included in the table or want to suggest a correction, please send us the information. Thank you!, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials: 952921, Peer reviewed
This is a copy of a living document; an updated version will be regularly uploaded. If you are aware of a certified reference material or standard document that is not included in the table or want to suggest a correction, please send us the information. Thank you!, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials: 952921, Peer reviewed
Proyecto: EC/H2020/952921
Artículo científico (JournalArticle). 2025
Natural Macromolecules Used as Bioplasticizer in Polymer Materials for Food Contact Applications
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Mena-Prado, Ignacio
- Fernández-García, Marta
- Campo, Ángel Adolfo del
- Muñoz-Bonilla, Alexandra
Synthetic plasticizers are essential additives widely used in polymer-based products such as food packaging, toys and medical devices. Despite their functional properties, they present significant environmental and human health risks due to their toxicity and migration behaviour. Growing awareness of these adverse effects has driven interest in the development of bio-based plasticizers derived from natural resources. In recent years, natural plasticizers have emerged as promising alternatives, offering advantages such as low toxicity, biodegradability and reduced migration. Their application is particularly relevant in the food packaging industry, where the transition towards sustainable materials has gained great interest, with the growing use of biopolymers such as starch, poly(lactic acid) (PLA), chitosan and gelatin. Most of these biopolymers exhibit limitations in barrier, mechanical and processing properties, requiring the addition of plasticizers to improve their performance. Natural plasticizers provide a synergistic solution by enhancing the properties of biopolymers while maintaining the sustainability and low toxicity of the resulting materials. Furthermore, their compatibility with biopolymers and reduced migration makes them highly suitable for industrial applications. This review explores the advancements in natural plasticizers, their integration into biopolymer systems and the challenges associated with their industrial-scale adoption for food packaging applications., This work was supported by the EU H2020 Industrial Leadership, ‘Characterisation and Harmonisation for Industrial Standardisation of Advanced Materials’ (CHARISMA), under Grant Agreement No. 952921 and by the Ministerio de Ciencia e Innovación y Universidades (PID2022-13651OB-100), the Agencia Estatal de Investigación (AEI, Spain) and Fondo Europeo de Desarrollo Regional (FEDER, EU), Peer reviewed
DOI: http://hdl.handle.net/10261/400452, https://api.elsevier.com/content/abstract/scopus_id/86000730899
Artículo científico (JournalArticle). 2025
Towards quantification of luminance values in photoluminescence and Raman spectroscopies by using a reference material
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Fernández-Álvarez, María
- Marín-Cortés, Sonia
- Moure Arroyo, Alberto
- Fernández Lozano, José Francisco
Nowadays, quantification in some spectroscopic techniques is a milestone to be achieved. This work aims to develop a new universal methodology to correlate the arbitrary intensity units from a photoluminescence spectrometer with luminance (µcd/mm2), to quantify the photoluminescent intensity of materials. Reference sample composites with different concentrations (0.1–10 % by weight) of Eu<inf>2</inf>O<inf>3</inf> particles in an epoxy matrix were prepared and characterized by photoluminescence and their luminance was then measured with a luminancemeter. The results show that the proposed method successfully relates and quantifies the arbitrary units obtained from a photoluminescence spectrometer with the luminance at a given excitation wavelength. In addition, this study reveals that the method is applicable for quantifying luminescence measurements with a Raman spectrometer, provided that the photoluminescent materials have an excitation response near typical Raman excitation laser wavelengths. Furthermore, this new methodology was validated in the anti-counterfeiting application of value documents. © 2025 Elsevier B.V., All rights reserved., This work was supported by EU H2020 Project CHARISMA (Grant
no. 952921) and AFICHES Project from CSIC (PIE 20460E101). M.F.A
acknowledges the financial support from MCIN/AEI/10.13039/
501100011033 and European Union NextGenerationEU/PRTR (Grant
no. FJC2021-047888-I)., Supplementary data associated with this article can be found in the online version at doi:10.1016/j.jallcom.2025.178861., Peer reviewed
no. 952921) and AFICHES Project from CSIC (PIE 20460E101). M.F.A
acknowledges the financial support from MCIN/AEI/10.13039/
501100011033 and European Union NextGenerationEU/PRTR (Grant
no. FJC2021-047888-I)., Supplementary data associated with this article can be found in the online version at doi:10.1016/j.jallcom.2025.178861., Peer reviewed
Proyecto: EC, AEI/H2020/952921, FJC2021-047888-I
Artículo científico (JournalArticle). 2025
Raman spectroscopy study of the role of dispersion and interfaces in the improvement of the mechanical properties of epoxy-TiO2 composites
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Fernández-Álvarez, María
- Moure Arroyo, Alberto
- Angulo Delgado, Luis
- Jiménez Reinosa, Julián
- Fernández Lozano, José Francisco
The final properties and durability of advanced epoxy-based composites reinforced with ceramic particles depend on both the particle dispersion and the particle-matrix interaction. The main objective of this work is to understand the role of TiO<inf>2</inf> particle dispersion in an epoxy matrix by high-resolution confocal Raman spectroscopy, evaluating the nature of their interaction and the crosslinking state of the polymeric matrix. These factors determine the mechanical and wear behaviour of the composites, allowing the properties of the final composite to be explained through spectroscopic measurements, depending on the dispersion state of the filler. To achieve these goals, a novel dispersion method, involving three steps (high-speed stirring, high-shear mixing, and tri-cylinder rolling), was developed. Materials composed of an epoxy matrix and submicrometric TiO<inf>2</inf> particles (0.1–10 wt%) were manufactured using this method and a conventional mechanical agitation method commonly used for comparison. Raman spectroscopy revealed that the advanced method achieved a high degree of homogeneity, reducing filler agglomeration and improving epoxy crosslinking. The epoxy-based composites with effectively dispersed particles exhibit improved mechanical properties, such as increased hardness and reduced wear, compared to both non-reinforced epoxy and materials obtained by conventional mixing. This work highlights the importance of engineering the dispersion and interface of TiO<inf>2</inf> particles in an epoxy matrix and demonstrates the potential to predict the final properties of a composite through a novel evaluation using Confocal Raman microscopy. © 2024 Elsevier B.V., All rights reserved., The authors thank the Carlos III University of Madrid (especially Dr. Francisco Velasco) for supporting the thermal and universal hardness tests. This work was supported by the EU H2020 Project CHARISMA (Grant No 952921) and the AFICHES project (CSIC 202460E101). M.F.A. acknowledges the financial support from MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR (Grant No FJC2021-047888-I)., Appendix A. Supplementary data at DOI: https://doi.org/10.1016/j.jmrt.2024.12.181, Peer reviewed
Proyecto: EC, AEI/H2020/952921, FJC2021-047888-I
Artículo científico (JournalArticle). 2025
Spectral harmonization of Raman data for reliable anti-counterfeiting analysis
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Fernández-Álvarez, María
- Moure Arroyo, Alberto
- Rabasco, Pablo
- Gómez, Esther
- García-Juez, Vicente
- Fernández Lozano, José Francisco
Interoperability, understood as the ability of instruments to exchange, compare and integrate Raman spectra acquires from different instruments, is one of the major challenges across different laboratories, centers or industries. Among the various fields aiming for interoperability and harmonization between instruments, detecting counterfeiting in high-value documents is a key application. Therefore, the main objective of this work is to establish a feasible approach to harmonize different Raman systems to enable the comparison of Raman spectra within the context of counterfeit detection. The goal is to ensure that different Raman systems produce equivalent results, thereby fostering interoperability among Raman instruments. The proposed method has been validated using two excitation laser wavelengths (785 and 532 nm) and two different materials (potassium‑sodium niobate and polystyrene), and applied to a particular case study. A chemometric study based on Principal Component Analysis (PCA) was also performed to study the reproducibility of the analysis. The main results demonstrate that it is possible to obtain comparable Raman spectra in terms of intensity for both organic and inorganic materials, as well as for the security markers as demonstrators proposed in this work. Furthermore, this work advances the traditional binary validation approach (pass/fail) in anti-counterfeiting applications, as this methodology facilitates the harmonized quantification of Raman intensity in relation to marker concentrations in security documents. This improvement enhances traceability and enables advanced anti-counterfeiting strategies. This study opens a new path for improving the precision and reliability of Raman spectroscopy in fields such as document counterfeiting detection. © 2025 Elsevier B.V., All rights reserved., The authors disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work was supported by EU H2020 Project CHARISMA (Grant No 952921) and CSIC Project AFICHES (n° 202460E101). M.F.A acknowledges the financial support from MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR (Grant No FJC2021-047888-I)., Peer reviewed
Proyecto: EC, ARI/H2020/952921, FJC2021-047888-I
Artículo científico (JournalArticle). 2026
Bio-Based Citrate Plasticizers as Nucleating Agents for PLA Fibers: Unlocking Antioxidant and Antimicrobial Potential
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Mena-Prado, Ignacio
- Fernández-García, Marta
- López García, Daniel
- Limbo, Sara
- Rollini, Manuela
- Martins, Daniele Maria
- Campo, Ángel Adolfo del
- Muñoz-Bonilla, Alexandra
Nano/microfibers are ideal systems for active packaging due to their high surface area, which enables efficient delivery of active compounds, improves food safety and quality, and extends shelf life. Herein, polylactic acid (PLA) fibers were blended with antioxidant and antimicrobial bioplasticizers (CITREM and ACETEM) at 10 wt.% and produced by force spinning using a total polymer concentration of 20 wt.%. The resulting functional fibers were analyzed by Raman confocal microscopy and scanning electron microscopy, which demonstrated uniform fiber formation for most of the bioplasticizer formulations. Thermogravimetric analysis showed a slight decrease in thermal stability associated with plasticizer incorporation, while differential scanning calorimetry revealed a reduction in glass transition temperature and a significant increase in crystallinity, evidencing the nucleating action of CITREM and ACETEM. Antimicrobial activity was evaluated against Gram-positive and Gram-negative bacteria, and antioxidant activity was measured using the Blois method. The results indicate that these bioplasticizers impart new functionalities to PLA, including antimicrobial activity against Gram-positive bacteria and antioxidant properties. These findings provide preliminary evidence that bio-based CITREM and ACETEM can confer bioactive properties to PLA fibers, warranting further investigation of their performance in food contact applications and mechanical characterization to assess their suitability for active packaging., his work was supported by the EU H2020 Project, “Characterisation andHarmonisation for Industrial Standardisation of Advanced Materials”(CHARISMA), under Grant Agreement no. 952921 and by the Ministerio de Ciencia, Innovación y Universidades (PID2022-13651OB-100), theAgencia Estatal de Investigación (AEI, Spain) and Fondo Europeo de Desarrollo Regional (FEDER, EU)., Peer reviewed
DOI: http://hdl.handle.net/10261/420580, https://api.elsevier.com/content/abstract/scopus_id/105029368072
Artículo científico (JournalArticle). 2025
Artificial Intelligence-Powered Raman Spectroscopy through Open Science and FAIR Principles
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Coca-Lopez, Nicolás
- Alcolea-Rodriguez, V.
- Bañares, M.A.
- Brockhauser, S.
- Gorenflot, J.
- Henderson, A.
- Hildebrandt, R.
- Jeliazkova, N.
- Kochev, N.
- Lozano Diz, E.
- Pilat, Z.
- Polli, D.
- Strömert, P.
- Sturm, C.
- Vanna, R.
- Portela, Raquel
Raman spectroscopy is a fast-growing and increasingly powerful analytical technique applied across diverse disciplines such as materials science, chemistry, biology and medicine. This growth is driven by advances in Raman instrumentation and greatly supported by the flourishing of chemometrics and artificial intelligence (AI). However, the full potential of this technique is often hampered by challenges related to data acquisition, processing, interpretation, and sharing. This review paper addresses how a concerted effort toward digitalization, incorporating principles of Open Science and FAIR data (Findable, Accessible, Interoperable, and Reusable), is essential to develop and implement robust, standardized, and accessible digital workflows. These workflows are key to unlock the full power of Raman spectroscopy in combination with AI. We explore the current landscape of digital tools and open resources in Raman spectroscopy, highlighting both existing solutions as well as critical gaps. Despite these advances, the field remains fragmented, with many initiatives developed in isolation, limiting interoperability and slowing progress. In this regard, we assess the trends in Raman spectroscopy hardware and control software as well as the role of AI in improving data collection, automating data analysis, extracting meaningful insights, and enabling predictive modeling. We review challenges such as data quality and model interpretability that constrain the effectiveness and applicability of AI in Raman spectroscopy. Furthermore, we emphasize the importance of standardized data formats, metadata schemas, and domain-specific ontologies to ensure machine-actionability, database federation and interoperability as well as to facilitate collaborative research. We provide curated lists of existing open hardware, databases and standards relevant to Raman spectroscopy. Finally, we propose a roadmap toward an open and FAIR ecosystem for Raman spectroscopy, emphasizing the need for sustainable infrastructure, collaborative development, and community involvement. © 2025 The Authors. Published by American Chemical Society, NCL, RP, MAB, NJ, NK acknowledge support by the EU H2020 Project CHARISMA (GA952921). NCL, RP, MAB acknowledge support by the EU H2020 Project PlasticsFatE (GA965367). NJ, NK acknowledge support by the EU H2020 Project POLYRISK (GA964766). SB, RH was funded by the Deutsche Forschungsgemeinschaft (project 460197019). PS was funded by the National Research Data–Infrastructure NFDI4Chem from the Deutsche Forschungsgemeinschaft (project 441958208). RV and VAR acknowledge support by the European Innovation Council (EIC) under grant agreement No. 101047137 (TROPHY). RV acknowledges support by the EIC under grant agreement No. 101058004 (CHARM). RV and DP acknowledge support by the EIC under grant agreement No. 101187508 (SpectraBREAST). JG acknowledges support by the King Abdullah University of Science and Technology. All authors acknowledge Salvatore Sorrentino for providing Figure 7., Peer reviewed
Proyecto: EC, EC/H2020, H2020/GA965367, GA952921
Set de datos (Dataset). 2025
List of Raman spectroscopy databases
DIGITAL.CSIC. Repositorio Institucional del CSIC
- Hildebrandt, R.
- Jeliazkova, N.
- Kochev, N.
- Coca-López, Nicolás
- Portela, Raquel
Comprehensive and curated list of openly accessible online Raman databases with information about their content and origin. Their FAIRness level has also been evaluated., A tab with some relevant propietary Raman databases is also included as complementary information on the availability of Raman data, European Commission
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials 952921, Peer reviewed
CHARISMA - Characterization and HARmonization for Industrial Standardisation of advanced MAterials 952921, Peer reviewed
Proyecto: EC/H2020/952921