{
  "abstract": "The expanding application of deep eutectic solvents (DESs) in both upstream and downstream processes has brought increasing attention to the role of pH in these systems. Despite its importance, accurate pH determination in DESs remains a significant challenge, mainly due to the lack of standardized measurement protocols. This has resulted in limited and sometimes contradictory data in literature. In this study, we investigate the acid–base properties of representative DESs using two complementary techniques: pH electrode measurements and UV–vis spectrophotometry with pH‐sensitive indicators. The DESs examined include hydrophilic systems based on choline chloride, betaine, and tetrabutylammonium chloride combined with glycerol or ethylene glycol, as well as a hydrophobic lidocaine‐oleic acid system. Indicator solutions were titrated with hydrochloric acid, while absorbance and electrode pH values were recorded across each dye's transition range. The resulting absorbance–pH curves were fitted using an inverse Boltzmann model, showing excellent correlation ( R 2 > 0.99) and enabling reliable interpolation. Additionally, Gaussian process (GP)‐based machine learning (ML) confirmed strong agreement between methods within a 95% confidence interval. This integrated approach provides a robust framework for accurate pH assessment in DESs.",
  "abstract_shown": true,
  "affiliations": [
    "CASCAT GmbH Straubing Germany",
    "Technical University of Munich Straubing Germany",
    "Departamento De Química Orgánica Universidad De Sevilla y Centro De Innovación en Química Avanzada (ORFEO‐CIN) Sevilla Spain",
    "Institute of Technical Chemistry Leibniz University Hannover Hannover Germany",
    "Department of Chemistry in Pharmaceutical Sciences Complutense University of Madrid (UCM) Madrid Spain",
    "Faculty of Food Technology and Biotechnology University of Zagreb Zagreb Croatia",
    "Chair of Chemistry of Biogenic Resources Technical University of Munich TUM Campus Straubing for Biotechnology and Sustainability Straubing Germany",
    "School of Chemistry and Molecular Biosciences The University of Queensland St. Lucia Australia",
    "SynBioFoundry@TUM, Technical University of Munich Straubing Germany",
    "TUM Catalysis Research Center Ernst‐Otto‐Fischer‐Straβe1 Garching Germany",
    "Sustainable Momentum, SL Las Palmas de Gran Canaria Spain",
    "CICECO−Aveiro Institute of Materials Department of Chemistry University of Aveiro Aveiro Portugal",
    "Biocatalysis and Bioprocessing Group Department of Biological and Chemical Engineering Aarhus University Aarhus Denmark"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 13,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Andrea Puglisi"
    },
    {
      "affs": [
        2
      ],
      "name": "Chiara Falcini",
      "orcid": "0009-0009-5163-2079"
    },
    {
      "affs": [
        3
      ],
      "name": "Francesco Napoletano"
    },
    {
      "affs": [
        4
      ],
      "name": "D. Alonzo Durante-Salmerón",
      "orcid": "0009-0006-4451-3432"
    },
    {
      "affs": [
        5
      ],
      "name": "Marina Cvjetko Bubalo",
      "orcid": "0000-0001-9023-8482"
    },
    {
      "affs": [
        2
      ],
      "name": "Gonzalo Gonzalo",
      "orcid": "0000-0002-0863-680X"
    },
    {
      "affs": [
        6,
        7,
        8,
        9
      ],
      "name": "Volker Sieber",
      "orcid": "0000-0001-5458-9330"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "André Pick",
      "orcid": "0009-0008-5572-3325"
    },
    {
      "affs": [
        4
      ],
      "name": "Andrés R. Alcántara",
      "orcid": "0000-0003-4856-4000"
    },
    {
      "affs": [
        10
      ],
      "name": "Pablo Domı́nguez de Marı́a",
      "orcid": "0000-0002-3117-7779"
    },
    {
      "affs": [
        11
      ],
      "name": "Dinis O. Abranches",
      "orcid": "0000-0003-0097-2072"
    },
    {
      "affs": [
        11
      ],
      "name": "João A. P. Coutinho",
      "orcid": "0000-0002-3841-743X"
    },
    {
      "affs": [
        12,
        3
      ],
      "name": "Selin Kara",
      "orcid": "0000-0001-6754-2814"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/bnxf6zm2mr1vr.bib",
  "cited_by": 5,
  "doi": "10.1002/cctc.70846",
  "fulltext_url": null,
  "id": "bnxf6zm2mr1vr",
  "issns": [
    "1867-3880",
    "1867-3899"
  ],
  "landing_url": "https://doi.org/10.1002/cctc.70846",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1606|Ionic liquids properties and applications"
    ]
  ],
  "openalex": "W7163692757",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-06-01",
  "publisher": "Wiley",
  "ris": "https://research.draconitic.com/paper/bnxf6zm2mr1vr.ris",
  "sources": [
    {
      "first_seen": "2026-11-07T13:20:46Z",
      "native_id": "W7163692757",
      "source": "openalex",
      "url": "https://doi.org/10.1002/cctc.70846"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1606|Ionic liquids properties and applications",
      "subfield": "physical"
    }
  ],
  "title": "Deciphering pH Behavior in Deep Eutectic Solvents: Synergizing Experimental Data and Computational Modeling",
  "title_text": "Deciphering pH Behavior in Deep Eutectic Solvents: Synergizing Experimental Data and Computational Modeling",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T13:21:04Z",
  "url": "https://research.draconitic.com/paper/bnxf6zm2mr1vr",
  "venue": "ChemCatChem",
  "versions": []
}