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Analysis of institutional authors

Maria, Gonzalez-MiquelAuthor

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May 13, 2025
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An overview of HSP and COSMO-RS for computational green solvent screening: Applications in biomass valorization

Publicated to: TRAC-TRENDS IN ANALYTICAL CHEMISTRY. 189 118272- - 2025-08-01 189(), DOI: 10.1016/j.trac.2025.118272

Authors:

Bragagnolo, FS; Ormazábal-Latorre, S; Canales, RI; Rostagno, MA; Esteban, J; María, GM
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Affiliations

Pontificia Univ Catolica Chile, Escuela Ingn, Dept Ingn Quim & Bioproc, Ave Vicuna Mackenna 4860, Santiago 7820436, Chile - Author
Univ Complutense Madrid, Fac Chem Sci, Dept Chem & Mat Engn, Madrid 28040, Spain - Author
Univ Estadual Campinas, Sch Appl Sci FCA, Multidisciplinary Lab Food & Hlth LabMAS, Sao Paulo, Brazil - Author
Univ Manchester, Dept Chem Engn, Oxford Rd, Manchester M13 9PL, England - Author
Univ Politecn Madrid, Higher Tech Sch Ind Engn, Dept Chem & Environm Engn, Madrid, Spain - Author
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Abstract

Valorizing biomass by-products and reducing their accumulation are critical current issues. Nevertheless, the large volume of such materials requires continuous and enhanced strategies to mitigate potential environmental problems. The valorization of biomass through the recovery of valuable compounds must be sustainable and optimized, emphasizing the selection of optimal and greener solvents for this purpose. In this context, to reduce experimental efforts, material resources, and energy expenses, predictive in silico tools enable efficient preliminary screening, highlighting the tools based on Hansen Solubility Parameters (HSP) and COnductor-like Screening MOdel for Real Solvents (COSMO-RS). Considering their widespread application, this review critically analyzes both computational methods, highlighting their main concepts, applications, and limitations. Finally, we propose a simplified guide from solvent selection to the purified (or not) fraction.
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Keywords

Alternative solventsBio-based solventBio-based solventsBiorefineryChemistryCircular economyComputational predictionsExtractionGreen chemistryHansen solubility parametersModePredictionProcess designSelection guide

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal TRAC-TRENDS IN ANALYTICAL CHEMISTRY due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2025, it was in position 2/111, thus managing to position itself as a Q1 (Primer Cuartil), in the category Chemistry, Analytical. Notably, the journal is positioned above the 90th percentile.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2026-04-04:

  • WoS: 4
  • Scopus: 5
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Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2026-04-04:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 32 (PlumX).
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Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: Brazil; Chile; United Kingdom.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Bragagnolo, Felipe Sanchez) and Last Author (GONZALEZ MIQUEL, MARIA).

the author responsible for correspondence tasks has been Bragagnolo, Felipe Sanchez.

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Awards linked to the item

The authors would like to thank the Fundacao de Amparo a Pesquisa do Estado de Sao Paulo-(grants number 2023/12621-1, 2022/10469-5, 2018/14582-5) and the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brazil (CAPES) [Finance Code 001]. We also extend our thanks to the Grant PID2022-141965OB-C22 funded by MCIN/AEI/10.13039/501100011033 and by 'ERDF A way of making Europe,' by the 'European Union'. Furthermore, we acknowledge the support of the Comunidad Autonoma de Madrid (Spain) through the Multiannual Agreement with Universidad Politecnica de Madrid in the Excellence Programme for University Professors line, in the context of the V PRICIT (Regional Plan of Research and Technological Innovation). Sebastian Ormazabal-Latorre thanks the Chilean National Agency for Research and Development (ANID)/Scholarship Program/DOCTORADO BECA NACIONAL/2020-21201350 for financial support. Jesus Esteban would like to acknowledge grant RYC2022-035654-I funded by MICIU/AEI/ 10.13039/501100011033 and by ESF+.
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