Transforming into a sustainable European pharmaceutical sector

Deliverables

Guidelines for reduction of nitrosamine and transition metal contamination in pharmaceuticals

Research-based recommendations for reducing N-nitrosamine impurities and transition metal contamination in synthetic active pharmaceutical ingredients.

Report on stakeholder needs and interests related to TransPharm tools/methods

Report on stakeholder needs and interests related to TransPharm tools/methodsThe report summarises stakeholder requirements identified in interviews / online survey, and matches them with an overview of TransPharm tools/methods, including a first specification of which requirements could be more easily incorporated in them and which are more challenging.

Stakeholder views, needs & wishes on sustainability assessment of APIs

The report provides an overview of stakeholder views, needs and wishes in relation to the sustainability assessment of pharmaceuticals, based on interviews, surveys and/or focus groups, as well as their views regarding the draft assessment approach, the draft value chain map and potential trade-offs.

Methodologies to fill LCI data gaps for prospective and retrospective assessments

Lessons learned on methodologies to fill LCI data gaps for prospective and retrospective assessments will be described as input for the case studies (project internal documents on the project sharepoint) and as input for the guidance on integrated sustainability assessment of pharaceuticals (D4.5, integral general text and appendix for technical details).

Plan for Stakeholder Engagement

Initial report on stakeholder needs and interests related to TransPharm project.

Plan for Dissemination, Communication and Exploitation of Results

PSEDER will include (i) mapping of stakeholders / specific target groups; (ii) key exploitation / dissemination opportunities per target group; (iii) definition of project communication strategy; (iv) measures and activities for reaching each target group, with a time plan for implementation; (v) measurable control points and activities’ assessment; (vi) dissemination database with stakeholders at national/European level.

Project website

Setup project website to be updated regularly with outcomes of WP1, WP2, WP3, WP4, WP5 and WP6.

Databases used for training the models, accessible in excel format or through a web tool

Well-curated databases using canonical SMILES and InChI to as unique molecular identifiers. For reactions, reaction SMILES or SMIRKS will be used. The databases will be stored in NoSQL format that can be exported to a user-friendly interface, such as excel.

Publications

Water brownness regulates the bioavailability of a fluoroquinolone antibiotic: UV-absorbance as a predictor of ciprofloxacin ecotoxicity

Author(s): Qiyun Zhanga, Kristof Demeestere, Karel A.C. De Schamphelaere
Published in: Environmental Pollution, Issue 334, 2023, ISSN 1873-6424
Publisher: ScienceDirect
DOI: 10.1016/j.envpol.2023.122209

Eco-pharma dilemma: Navigating environmental sustainability trade-offs within the lifecycle of pharmaceuticals – A comment

Author(s): Caroline T.A. Moermond, Neele Puhlmann, Lowik Pieters, Avtar Matharu, Lieselot Boone, Maarten Dobbelaere, Héloïse Proquin, Klaus Kümmerer, Ad M.J. Ragas, Rodrigo Vidaurre, Bastiaan Venhuis, Delphine De Smedt
Published in: Sustainable Chemistry and Pharmacy, Issue 43, 2025, ISSN 2352-5541
Publisher: Elsevier BV
DOI: 10.1016/J.SCP.2024.101893

The Stubborn Persistence of Toxic Solvents in Chemical Synthesis

Author(s): Maarten R. Dobbelaere, Helen F. Sneddon
Published in: Angewandte Chemie International Edition, 2026, ISSN 1433-7851
Publisher: Wiley
DOI: 10.1002/ANIE.1677569

Scalable synthesis of 3-O functionalized deoxyribonolactones from biorenewable levoglucosenone

Author(s): Maarten Debruyne, Martha C. Mayorquín-Torres, Jason E. Camp, Christian V. Stevens
Published in: Arkivoc, Issue 2024, 2025, ISSN 1551-7012
Publisher: ARKAT USA, Inc.
DOI: 10.24820/ARK.5550190.P012.378

Predicting the biodegradability of active pharmaceutical ingredients using freely available in silico models: new application area or impossible?

Author(s): Sabrina Groth, Klaus Kümmerer, Oliver Olsson
Published in: Sustainable Chemistry and Pharmacy, Issue 51, 2026, ISSN 2352-5541
Publisher: Elsevier BV
DOI: 10.1016/J.SCP.2026.102387

Tandem Cu(I)-Catalyzed Dipolar Cycloaddition–C–H Activation for the In-Flow Synthesis of N-Pyridyl-5-amino-1,2,3-triazole-4-carboxylates

Author(s): Emanuela Donato, Martha C. Mayorquín-Torres, Alessandra Puglisi, Maurizio Benaglia, Mauro F. A. Adamo, Christian V. Stevens
Published in: Organic Letters, Issue 27, 2025, ISSN 1523-7060
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACS.ORGLETT.5C00453

Extending a ciprofloxacin bioavailability model to predict fluoroquinolone ecotoxicity to aquatic cyanobacteria: the role of pH and dissolved organic carbon

Author(s): Qiyun Zhang, Kristof Demeestere, Karel A. C․ De Schamphelaere
Published in: Water Research, Issue 308, 2026, ISSN 0043-1354
Publisher: Elsevier BV
DOI: 10.1016/J.WATRES.2026.126989

Closing Data Gaps for LCA of Pharmaceutical Production: Estimating Energy Usage by Upscaling Laboratory Data

Author(s): Muhammed Ayaj Ansar, Rosalie van Zelm, Ad M. J. Ragas
Published in: ACS Sustainable Chemistry & Engineering, Issue 13, 2025, ISSN 2168-0485
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACSSUSCHEMENG.5C04708

Geometric deep learning for molecular property predictions with chemical accuracy across chemical space

Author(s): Maarten R. Dobbelaere, István Lengyel, Christian V. Stevens, Kevin M. Van Geem
Published in: Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher: Springer Science and Business Media LLC
DOI: 10.1186/S13321-024-00895-0

Metal-free alkene hydroboration with pinacolborane employing C 6 F 5 BH 2 ·SMe 2 as a precatalyst

Author(s): Nikita Slesarchuk, George Doerksen, Petra Vasko, Timo Repo
Published in: Chemical Communications, Issue 61, 2026, ISSN 1359-7345
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D5CC01110H

Preparation of a furfural-derived enantioenriched vinyloxazoline building block and exploring its reactivity

Author(s): Madara Darzina, Anna Lielpetere, Aigars Jirgensons
Published in: Beilstein Journal of Organic Chemistry, Issue 21, 2025, ISSN 1860-5397
Publisher: Beilstein Institut
DOI: 10.3762/BJOC.21.136

An interdisciplinary comparative framework for antimicrobial efficacy and environmental risk assessment of antibiotics integrating human and environmental health: A case study from patient to river

Author(s): Qiyun Zhang, Pieter-Jan De Sutter, Jéssica F Amorim, Päivi Järvinen, Caroline T A Moermond, Morten Suk, Klaus Kümmerer, Kristof Demeestere, Tiina M Sikanen, Karel A C De Schamphelaere
Published in: Integrated Environmental Assessment and Management, 2026, ISSN 1551-3777
Publisher: Oxford University Press (OUP)
DOI: 10.1093/INTEAM/VJAG062

Synthesis of active pharmaceutical ingredient atomoxetine via desulfurative halogenation

Author(s): Giovanni Roviello, Caterina Cioffi, Maria Moccia, Malachi W. Gillick-Healy, Brian G. Kelly, Mauro F.A. Adamo
Published in: Tetrahedron Letters, Issue 171-172, 2025, ISSN 0040-4039
Publisher: Elsevier BV
DOI: 10.1016/J.TETLET.2025.155800

Characterization factors for freshwater ecotoxicity of pharmaceuticals

Author(s): Tolga Ayeri, Jiaqi Wang, Rosalie van Zelm, Ad M. J. Ragas
Published in: The International Journal of Life Cycle Assessment, Issue 31, 2026, ISSN 0948-3349
Publisher: Springer Science and Business Media LLC
DOI: 10.1007/S11367-026-02574-8

Metal-free catalytic sp 2 C–H borylation with pinacolborane by a fluorinated ansa -aminoboronic acid

Author(s): Nikita Slesarchuk, Antti Lempinen, Timo Repo
Published in: Dalton Transactions, Issue 55, 2026, ISSN 1477-9226
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D6DT02062C

Mapping the risk of ciprofloxacin in European water bodies: Incorporating the impact of bioavailability

Author(s): Qiyun Zhang, Kristof Demeestere, Karel A.C. De Schamphelaere
Published in: Science of The Total Environment, Issue 955, 2025, ISSN 0048-9697
Publisher: Elsevier BV
DOI: 10.1016/J.SCITOTENV.2024.177202

Optimized continuous flow Vorbrüggen coupling for synthesis of environmentally improved fluoroquinolones

Author(s): Nathan Raeymackers, Janos Coquyt, Thomas S. A. Heugebaert, Christian V. Stevens
Published in: Reaction Chemistry & Engineering, 2026, ISSN 2058-9883
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D6RE00222F

Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices

Author(s): Maarten R. Dobbelaere, István Lengyel, Christian V. Stevens, Kevin M. Van Geem
Published in: Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher: Springer Science and Business Media LLC
DOI: 10.1186/S13321-024-00834-Z

Applicability of the European Commission’s framework on safe and sustainable by design to the pharmaceutical sector

Author(s): Neele Puhlmann, Elisabetta Abbate, Klaus Kümmerer, Agnes G. Oomen, Ad M.J. Ragas, Caroline Moermond
Published in: Sustainable Chemistry and Pharmacy, Issue 42, 2024, ISSN 2352-5541
Publisher: Elsevier BV
DOI: 10.1016/J.SCP.2024.101845

A holistic framework for integrated sustainability assessment of pharmaceuticals

Author(s): Lisa Van Wilder, Lieselot Boone, Ad Ragas, Caroline Moermond, Lowik Pieters, Aissa Rechlin, Rodrigo Vidaurre, Delphine De Smedt, Jo Dewulf
Published in: Journal of Cleaner Production, Issue 467, 2024, ISSN 0959-6526
Publisher: Elsevier BV
DOI: 10.1016/J.JCLEPRO.2024.142978

Keystones in the implementation of greener pharmaceuticals: A scoping review

Author(s): Ella D. van Vliet, Nynke M. Kannegieter, Caroline T.A. Moermond, Teresa Leonardo Alves
Published in: Sustainable Chemistry and Pharmacy, Issue 44, 2025, ISSN 2352-5541
Publisher: Elsevier BV
DOI: 10.1016/J.SCP.2025.101938

Redefining Fluoroquinolone Antibiotics: Design and Synthesis of Degradable Fluoroquinolones to Reduce Environmental Persistence

Author(s): Nathan Raeymackers, Emile De Mol, Martin Yenokyan, Morten Suk, Klaus Kümmerer, Thomas S. A. Heugebaert, Christian V. Stevens
Published in: ChemSusChem, Issue 19, 2026, ISSN 1864-5631
Publisher: Wiley
DOI: 10.1002/CSSC.71040

The need to harmonise environmental sustainability assessments for pharmaceuticals

Author(s): Caroline T.A. Moermond, Fiona Adshead, Stefan Berggren, Thea Skafte Böttcher, Marco Cinelli, Ruben de Moor, Yasmin de Wit, Mira Dysgård, Dirk Halet, Arne Hein, Katharina Högdin, Aline Katzenberger, Martin König, Elli Leppä, Bengt Mattson, Jeroen Melchers, Lotte Neckebroeck, Sofie Helm Pederson, Sharon Pfleger, Joost D. Piët, Ad Ragas, Sophie Simons, Jason Snape, Fabian Stiefel, Anna Stohr, Martijn van Bodegraven, Lisa Van Wilder, Rodrigo Vidaurre, Haris Webster, Hannah Welsh, Emma Witteveen
Published in: Sustainable Chemistry and Pharmacy, Issue 52, 2026, ISSN 2352-5541
Publisher: Elsevier BV
DOI: 10.1016/J.SCP.2026.102438

Towards a Green Pharmaceutical Future in Europe

Author(s): Ferrer Pérez, Pablo; Fernández Ruiz, Carlos; Ilgrande, Chiara; Pérez Genovés, Lucía; Hernández Pedraza, Diego; Silva, Patrícia; Harrison, Sam; Camarinopoulos, Stephanos; Giakoumaki, Aggeliki; Antonaropoulos, George; Harasek, Michael; Stevens, Christian V.
Publisher: Zenodo
DOI: 10.5281/ZENODO.21221297

Metal-free catalytic borylation reaction concepts: Borenium cation, Frustrated Lewis pairs and Transborylation

Author(s): Nikita Slesarchuk
Publisher: University of Helsinki

Project Results

Deliverables

Publications

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