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Deliverables

Results from Mistra SafeChem, such as scientific publications, reports, theses, and annual reports are published here. We have also compiled all recordings from seminars and conferences.

Click on the plus sign in the green bar to see the deliverables in each category.

Work package 3: Hazard and risk screening – early warning and proactivity

Abele, C., Perez, A., Höglund, A., Pierozan, P., Breitholtz, M., & Karlsson, O. (2024). Automated Image-Based Fluorescence Screening of Mitochondrial Membrane Potential in Daphnia magna: An Advanced Ecotoxicological Testing Tool. Environmental Science & Technology. External link, opens in new window.

Carlsson, J., Dostberg, A., Åström, T., Matyjasiak, J., Kallin, A., Juric, S., & Nilsson, U. (2024). Health risks from exposure to chemicals in clothing - Non-regulated halogenated aromatic compounds. External link, opens in new window. Chemosphere, 363, 142930.

Liagkouridis, I., Giovanoulis, G., & Thorsén, G. (2024). Assessing the environmental transformation of alternative chemicals using in silico tools, (bio)degradation testing and suspect screening – a case study of emerging alternative plasticizers. External link, opens in new window. Emerging Contaminants, 100430.

Peets, P., Rian, M. B., Martin, J. W., & Kruve, A. (2024). Evaluation of Nontargeted Mass Spectral Data Acquisition Strategies for Water Analysis and Toxicity-Based Feature Prioritization by MS2Tox. External link, opens in new window. Environmental Science & Technology, 58(39), 17406-17418.

Phan, H., Gueret, R., Martínez-Pardo, P., Valiente, A., Jaworski, A., Slabon, A., & Martín-Matute, B. (2024). Synthesis of Benzoic Acids from Electrochemically Reduced CO2 Using Heterogeneous Catalysts External link, opens in new window.. ChemSusChem, n/a(n/a), e202401084.

Pierozan, P., Höglund, A., Theodoropoulou, E., & Karlsson, O. (2024). Perfluorooctanesulfonic acid (PFOS) induced cancer related DNA methylation alterations in human breast cells: A whole genome methylome study. External link, opens in new window. Science of The Total Environment, 949, 174864.

Strand, D., Lundgren, B., Bergdahl, I. A., Martin, J. W., & Karlsson, O. (2024). Personalized mixture toxicity testing: A proof-of-principle in vitro study to evaluate the steroidogenic effects of reconstructed contaminant mixtures measured in blood of individual adults. External link, opens in new window. Environment International, 108991.

Strand, D., Nylander, E., Höglund, A., Lundgren, B., Martin, J. W., & Karlsson, O. (2024). Screening persistent organic pollutants for effects on testosterone and estrogen synthesis at human-relevant concentrations using H295R cells in 96-well plates External link, opens in new window.. Cell Biology and Toxicology, 40(1), 69.

Åström, T., Ruiz-Caldas, M.-X., Skedung, L., Chelcea, I., Nilsson, C., Mathew, A. P., . . . Nilsson, U. (2024). The fate of hazardous textile pollutants in an upcycling process for post-consumer garments. External link, opens in new window. Cleaner Engineering and Technology, 22, 100794.

Work package 4: Design and management of chemicals, materials and processes

Apostolopoulou-Kalkavoura, V., Fijoł, N., Lombardo, S., Ruiz-Caldas, M.-X., & Mathew, A. P. (2024). In Situ Functionalisation and Upcycling of Post-Consumer Textile Blends into 3D Printable Nanocomposite Filaments. External link, opens in new window. Advanced Sustainable Systems, n/a(n/a), 2400132.

Kaewmuangphet, S., Samec, J. S. M., & Tungasmita, D. N. (2024). Ethyl levulinate production from agricultural residue through tin oxide with grafted propylsulfonic Faujasite catalysis. External link, opens in new window. Journal of Cleaner Production, 466, 142896.

Muangmeesri, S., Baddigam, K. R., Navare, K., Apostolopoulou-Kalkavoura, V., Witthayolankowit, K., Håkansson, H., . . . Samec, J. S. M. (2024). Recycling of Polyesters by Organocatalyzed Methanolysis Depolymerization: Environmental Sustainability Evaluated by Life Cycle Assessment. External link, opens in new window. ACS Sustainable Chemistry & Engineering, 12(10), 4114-4120.

Neiva, D. M., Ek, M., Sels, B. F., & Samec, J. S. M. (2024). Toward sustainable upgrading of bark. External link, opens in new window. Chem Catalysis, 4(9), 101022.

Ruiz-Caldas, M.-X., Schiele, C., Hadi, S. E., Andersson, M., Mohammadpour, P., Bergström, L., . . . Apostolopoulou-Kalkavoura, V. (2024). Anisotropic foams derived from textile-based cellulose nanocrystals and xanthan gum. External link, opens in new window. Carbohydrate Polymers, 338, 122212.

Ruiz-Caldas, M.-X., Apostolopoulou-Kalkavoura, V., & Mathew, A. P. (2024). Unlocking the potential of post-consumer garments as a source of nanocellulose. External link, opens in new window. Cell Reports Physical Science, 5(2), 101795.

Söderberg, E., von Borries, K., Norinder, U., Petchey, M., Ranjani, G., Chavan, S., . . . Syrén, P.-O. (2024). Toward safer and more sustainable by design biocatalytic amide-bond coupling. External link, opens in new window. Green Chemistry.

Tortajada, P. J., Kärnman, T., Martínez-Pardo, P., Nilsson, C., Holmquist, H., Johansson, M. J., & Martín-Matute, B. (2024). Electrochemical Hydrogenation of Alkenes over a Nickel Foam Guided by Life Cycle, Safety and Toxicological Assessments. External link, opens in new window. Green Chemistry.

Witthayolankowit, K., Ramazanova, L., Baddigam, K. R., Marson, A., Apostolopoulou-Kalkavoura, V., Lebedeva, D., . . . Samec, J. S. M. (2024). Valorization of Tops and Branches to Textile Fibers and Biofuel: Value Chain Explored Experimentally; Environmental Sustainability Evaluated by Life Cycle Assessment. External link, opens in new window. ACS Sustainable Chemistry & Engineering, 12(1), 526-533.

Work package 5: Life cycle assessment and management

Cappucci, G. M., Neri, P., Ferrari, A. M., & Fantke, P. (2024). Evaluating toxicity impacts of local chemical emissions in Life Cycle Assessment. External link, opens in new window. The International Journal of Life Cycle Assessment.

Huang, L., Aurisano, N., Fantke, P., Dissanayake, A., Edirisinghe, L. G. L. M., & Jolliet, O. (2024). Near-field exposures and human health impacts for organic chemicals in interior paints: A high-throughput screening. External link, opens in new window. Journal of Hazardous Materials, 465, 133145.

Work package 3: Hazard and risk screening – early warning and proactivity

Andersson, M., Norinder, U., Chavan, S., & Cotgreave, I. In Silico Prediction of Eye Irritation Using Hansen Solubility Parameters and Predicted pKa Values. External link, opens in new window. Alternatives to Laboratory Animals, 0(0), 02611929231175676.

Bonnefille, B., Karlsson, O., Rian, M. B., Raqib, R., Parvez, F., Papazian, S., . . . Martin, J. W. (2023). Nontarget Analysis of Polluted Surface Waters in Bangladesh Using Open Science Workflows. External link, opens in new window. Environmental Science & Technology, 57(17), 6808-6824

Carlsson, J., Åström, T., Östman, C., & Nilsson, U. (2023). Solvent-free automated thermal desorption-gas chromatography/mass spectrometry for direct screening of hazardous compounds in consumer textiles. External link, opens in new window. Analytical and Bioanalytical Chemistry, 415(19), 4675-4687.

Erik Ylipää, Swapnil Chavan, Maria Bånkestad, Johan Broberg, Björn Glinghammar, Ulf Norinder, Ian Cotgreave (2023). hERG-toxicity prediction using traditional machine learning and advanced deep learning techniques. External link, opens in new window. Current Research in Toxicology, Volume 5, 2023, 100121.

Norinder U. (2023) Traditional Machine and Deep Learning for Predicting Toxicity Endpoints External link, opens in new window.. Molecules. 28(1):217.

Pierozan, P., Kosnik, M., & Karlsson, O. (2023). High-content analysis shows synergistic effects of low perfluorooctanoic acid (PFOS) and perfluorooctane sulfonic acid (PFOA) mixture concentrations on human breast epithelial cell carcinogenesis. External link, opens in new window. Environment International, 172, 107746.


Work package 4: Design and management of chemicals, materials and processes

Argyropoulos, D. D. S., Crestini, C., Dahlstrand, C., Furusjö, E., Gioia, C., Jedvert, K., . . . Wimby, M. (2023). Kraft Lignin: A Valuable, Sustainable Resource, Opportunities and Challenges. External link, opens in new window. ChemSusChem, 16(23), e202300492.

Bermejo-López, A., Kong, W.-J., Tortajada, P. J., Posevins, D., Martín-Matute, B., & Bäckvall, J.-E.
Iron-Catalyzed Borylation of Propargylic Acetates for the Synthesis of Multisubstituted Allenylboronates. Opens in new window. Chemistry 29(3): e202203130.

Deiana, L., Badali, E., Rafi, A. A., Tai, C.-W., Bäckvall, J.-E., & Córdova, A. (2023). Cellulose-Supported Heterogeneous Gold-Catalyzed Cycloisomerization Reactions of Alkynoic Acids and Allenynamides. External link, opens in new window. ACS Catalysis, 13(15), 10418-10424.

Deiana, L., Rafi, A. A., Tai, C.-W., Bäckvall, J.-E., & Córdova, A. (2023). Artificial Arthropod Exoskeletons/Fungi Cell Walls Integrating Metal and Biocatalysts for Heterogeneous Synergistic Catalysis of Asymmetric Cascade Transformations. External link, opens in new window. ChemCatChem, 15(15), e202300250.

Kong, W.-J., Kessler, S. N., Wu, H., & Bäckvall, J.-E. (2023). Iron-Catalyzed Cross-Coupling of α-Allenyl Esters with Grignard Reagents for the Synthesis of 1,3-Dienes. External link, opens in new window. Organic Letters, 25(1), 120-124.

Lindenbeck, L., Beele, B. B., Morsali, M., Budnyk, S., Frauscher M., Chen, J., Sipponen, M. H., Slabon, A., Rodrigues, B. V. M. (2023). MoS2 nanoflower-decorated lignin nanoparticles for superior lubricant properties External link, opens in new window.. Nanoscale.

Lopez-Lorenzo, X, Asem, H., Stamm, A., Subramaniyan, S., Hakkarainen, M., Syrén P.-O. (2023). Whole-cell Mediated Carboxylation of 2-Furoic Acid Towards the Production of Renewable Platform Chemicals and Biomaterials. External link, opens in new window. ChemCatChem. e202201483

Marson, A., Samec, J. S. M., Manzardo, A. (2023). Consequential life cycle assessment of kraft lignin recovery with chemical recycling. External link, opens in new window. Science of The Total Environment, 882, 163660

Ruiz-Caldas, M.-X., Apostolopoulou-Kalkavoura, V., Hellström, A.-K., Hildenbrand, J., Larsson, M., Jaworski, A., Samec, J. S. M., Lahtinen, P., Tammelin, T., Mathew A. P. (2023). Citrated cellulose nanocrystals from post-consumer cotton textiles. External link, opens in new window. J. Mater. Chem. A, 11, 6854

Saavedra, B., Bermejo-López, A., Raeder, :, Martín-Matute, B. (2023). Selective quantitative N-functionalization of unprotected α-amino acids using NHC-Ir(III) catalyst. External link, opens in new window. STAR Protocols, 4(2), 102147

Sanz-Marco, A., Saavedra, B., Erbing, E., Malmberg, J., Johansson, M. J., & Martín-Matute, B. (2023). Selective C–H Iodination of Weinreb Amides and Benzamides through Iridium Catalysis in Solution and under Mechanochemical Conditions. External link, opens in new window. Organic Letters.

Witthayolankowit, K., Marson, A., Reddy Baddigam, K., Lebedeva, D., Shaikh, M., Kane, A., . . . Samec, J. S. M. (2023). Valorization of beetle infected spruce to produce textile fibers and biofuels: Environmental sustainability evaluated by life cycle assessment. External link, opens in new window. Chemical Engineering Journal, 470, 144179.

Wu, H., Zheng, Z., Zhang, K., Kajanus, J., Johansson, M., Córdova, A., & Bäckvall, J.-E. (2023). Heterogeneous Copper-Catalyzed Cross-Coupling for Sustainable Synthesis of Chiral Allenes: Application to the Synthesis of Allenic Natural Products. External link, opens in new window. Angewandte Chemie International Edition, n/a(n/a), e202314512.

Work package 5: Life cycle assessment and management

Aurisano, N., Jolliet, O., Chiu Weihsueh, A., Judson, R., Jang, S., Unnikrishnan, A., . . . Fantke, P. Probabilistic Points of Departure and Reference Doses for Characterizing Human Noncancer and Developmental/Reproductive Effects for 10,145 Chemicals. External link, opens in new window. Environmental Health Perspectives, 131(3), 037016.

Emara, Y., Jolliet, O., Finkbeiner, M., Heß, S., Kosnik, M., Siegert, M.-W., & Fantke, P. (2023). Comparative selective pressure potential of antibiotics in the environment. External link, opens in new window. Environmental pollution, 318, 120873.

Huang, Z., Kijko, G., Scanlon, K., Lloyd, S., Henderson, A., Fantke, P., . . . Li, S. (2023). System Approach for Characterizing and Evaluating Factors for Occupational Health Impacts Due to Nonfatal Injuries and Illnesses for the Use in Life Cycle Assessment. External link, opens in new window. Environmental Science & Technology, 57(32), 11738-11749.

Li, Z., & Fantke, P. (2023). Including the bioconcentration of pesticide metabolites in plant uptake modeling. External link, opens in new window. Environmental Science: Processes & Impacts, 25(10), 1708-1717.

Owsianiak, M., M. Z. Hauschild, L. Posthuma, E. Saouter, M. G. Vijver, T. Backhaus, M. Douziech, T. Schlekat and P. Fantke (2023). Ecotoxicity characterization of chemicals: Global recommendations and implementation in USEtox. External link, opens in new window. Chemosphere 310: 136807.

von Borries, K., Holmquist, H., Kosnik, M., Beckwith, K. V., Jolliet, O., Goodman, J. M., & Fantke, P. (2023). Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization. External link, opens in new window. Environmental Science & Technology.

Work package 3: Hazard and risk screening – early warning and proactivity

Carlsson, J., Astrom, T., Ostman, C., & Nilsson, U. (2022). Disperse azo dyes, arylamines and halogenated dinitrobenzene compounds in synthetic garments on the Swedish market External link, opens in new window.. Contact Dermatitis.

Carlsson, J., Iadaresta, F., Eklund, J., Avagyan, R., Östman, C., & Nilsson, U. (2022). Suspect and non-target screening of chemicals in clothing textiles by reversed-phase liquid chromatography/hybrid quadrupole-Orbitrap mass spectrometry External link, opens in new window.. Analytical and Bioanalytical Chemistry, 414(3), 1403-1413.
Read a Mistra SafeChem news article about this research.

Dracheva, E., Norinder, U., Rydén, P., Engelhardt, J., Weiss, J. M., Andersson, P. L. (2022). In Silico Identification of Potential Thyroid Hormone System Disruptors among Chemicals in Human Serum and Chemicals with a High Exposure Index External link, opens in new window.. Environmental Science & Technology.

Pierozan, P., Cattani, D., Karlsson, O. (2022) Tumorigenic activity of alternative per- and polyfluoroalkyl substances (PFAS): Mechanistic in vitro studies. External link, opens in new window. Science of The Total Environment.

Sapounidou, M., Norinder, U., Andersson P. L. (2022) Predicting Endocrine Disruption Using Conformal Prediction – A Prioritization Strategy to Identify Hazardous Chemicals with Confidence External link, opens in new window.. Chemical Research in Toxicology


Work package 4: Design and management of chemicals, materials and processes

Alves da Cruz, M.G., Gueret, R., Chen, J., Piątek, J., Sipponen, M., Frauscher, M., Budnyk, S., Rodrigues, B. V. M., Slabon, A. (2022). Electrochemical Depolymerization of Lignin in a Biomass-based Solvent. External link, opens in new window. ChemSusChem2022, e202200718.

Bermejo-López, A. Raeder, M., Martínez-Castro, E., Martín-Matute, B. (2022). Selective and quantitative functionalization of unprotected α-amino acids using a recyclable homogeneous catalyst. External link, opens in new window. Chem 2022, 8, 3302-3323.

Francesco, D. D., Rigo, D., Baddigam, K. R., Mathew, A., Hedin, N., Selva, M., Samec J. (2022) A new family of renewable thermosets: Kraft lignin polyadipates. External link, opens in new window. ChemSusChem.

Hueting, D. A., Vanga, S. R., Syrén, P.-O. (2022). Thermoadaptation in an Ancestral Diterpene Cyclase by Altered Loop Stability. External link, opens in new window. The Journal of Physical Chemistry B 126 (21), 3809-3821

Posevins, D., & Bäckvall, J.-E. (2022). Iron-catalyzed cross-couplings of propargylic substrates with Grignard reagents. External link, opens in new window. Journal of Organometallic Chemistry, 964, 122304.

Ruiz-Caldas, M.-X., Carlsson, J., Sadiktsis, I., Jaworski, A., Nilsson, U., Mathew, A. P. (2022) Cellulose Nanocrystals from Postconsumer Cotton and Blended Fabrics: A Study on Their Properties, Chemical Composition, and Process Efficiency. External link, opens in new window. ACS Sustainable Chemistry & Engineering 2022 10 (11), 3787-3798.

Valencia, M. S., Ruiz-Caldas, M.-X., Li, J., & Mathew, P. A. (2022). Cellulose nanocrystals (CNCs) derived from dyed and bleached cotton-based textile waste. External link, opens in new window. Current Applied Polymer Science, 5, 1-1.

Valiente, A., Martínez-Pardo, P., Kaur, G., Johansson, M. J., & Martín-Matute, B. (2022). Cover Feature: Electrochemical Proton Reduction over Nickel Foam for Z-Stereoselective Semihydrogenation/deuteration of Functionalized Alkynes External link, opens in new window. (ChemSusChem 1/2022). ChemSusChem, 15(1), e202102519.

Valiente, A., Martínez-Pardo, P., Kaur, G., Johansson, M. J., & Martín-Matute, B. (2022). Electrochemical Proton Reduction over Nickel Foam for Z-Stereoselective Semihydrogenation/deuteration of Functionalized Alkynes. External link, opens in new window. ChemSusChem, 15(1), e202102221.

Weis, E., Johansson, M., Korsgren, P., Martín-Matute, B. & Johansson, M. J. (2021). Merging Directed C−H Activations with High-Throughput Experimentation: Development of Predictable Iridium-Catalyzed C−H Aminations Applicable to Late-Stage Functionalization. External link, opens in new window. JACS Au 2, 4, 906–916.

Zhang, J. Das, B. Verho, O. and Bäckvall, J.-E. (2022) Electrochemical Palladium-Catalyzed Oxidative Carbonylation-Cyclization of Enallenols. External link, opens in new window. Angew. Chem. Int. Ed. 61, e20221213.

Zheng, Z., Deiana, L., Posevins, D., Rafi, A. A., Zhang, K., Johansson, M. J., . . . Bäckvall, J.-E. (2022). Efficient Heterogeneous Copper-Catalyzed Alder-Ene Reaction of Allenynamides to Pyrrolines. External link, opens in new window. ACS Catalysis, 12(3), 1791-1796.


Work package 5: Life cycle assessment and management

Aurisano, N., & Fantke, P. (2022). Semi-automated harmonization and selection of chemical data for risk and impact assessment. External link, opens in new window. Chemosphere, 302.

Aurisano, N., Fantke, P., Huang, L., & Jolliet, O. (2022). Estimating mouthing exposure to chemicals in children’s products. External link, opens in new window. Journal of Exposure Science & Environmental Epidemiology.

Carney Almroth, B., Cornell, S. E., Diamond, M. L., de Wit, C. A., Fantke, P., & Wang, Z. (2022). Understanding and addressing the planetary crisis of chemicals and plastics. External link, opens in new window. One Earth, 5(10), 1070-1074.

Connolly, A., P. T. J. Scheepers, M. A. Coggins, T. Vermeire, M. van Tongeren, G. Heinemeyer, J. W. Bridges, S. Bredendiek-Kämper, Y. B. de Bruin, A. Clayson, J. Gerding, J. McCourt, J. Urbanus, S. Viegas, N. von Goetz, M. Zare-Jeddi and P. Fantke (2022). Framework for developing an exposure science curriculum as part of the European Exposure Science Strategy 2020–2030. External link, opens in new window. Environment International 168: 107477.

Fantke, P., Bruinen de Bruin, Y., Schlüter, U., Connolly, A., Bessems, J., Kephalopoulos, S., . . . von Goetz, N. (2022). The European exposure science strategy 2020–2030. External link, opens in new window. Environment International, 170, 107555.

Fantke, P., von Goetz, N., & Jantunen, M. (2022). Advancing exposure knowledge and its uptake into policy: The European exposure science strategy 2020–2030 (Special Issue). External link, opens in new window. Environment International, 107692.

Kosnik, M. B., Kephalopoulos, S., Muñoz, A., Aurisano, N., Cusinato, A., Dimitroulopoulou, S., . . . Fantke, P. (2022). Advancing exposure data analytics and repositories as part of the European Exposure Science Strategy 2020–2030. External link, opens in new window. Environment International, 170, 107610.

Li, Z., & Fantke, P. Considering degradation kinetics of pesticides in plant uptake models: proof of concept for potato. External link, opens in new window. Pest Management Science.

Li, Z., Xiong, J., & Fantke, P. (2022). Screening of pesticide distributions in foods of animal origin: a matrix-based approach for biotransfer factor modeling of grazing mammals. External link, opens in new window. Environmental Science: Processes & Impacts, 24(4), 609-624.

Meramo, S., Fantke, P., & Sukumara, S. (2022). Advances and opportunities in integrating economic and environmental performance of renewable products. External link, opens in new window. Biotechnology for Biofuels and Bioproducts, 15(1), 144.

Mainka, A., & Fantke, P. (2022). Preschool children health impacts from indoor exposure to PM2.5 and metals. External link, opens in new window. Environment International, 160, 107062.

Work package 4: Design and management of chemicals, materials and processes

Bermejo-López, A., Carrasco, S., Tortajada, P. J., Kopf, K. P., Sanz-Marco, A., Hvid, M. S., ... & Martín-Matute, B. (2021). Selective Synthesis of Imines by Photo-Oxidative Amine Cross-Condensation Catalyzed by PCN-222 (Pd) External link, opens in new window.. ACS Sustainable Chemistry & Engineering, 9(43), 14405-14415.

Budnyak, T. M., Onwumere, J., Pylypchuk, I. V., Jaworski, A., Chen, J., Rokicińska, A., . . . Slabon, A. (2021). LignoPhot: Conversion of hydrolysis lignin into the photoactive hybrid lignin/Bi4O5Br2/BiOBr composite for simultaneous dyes oxidation and Co2+ and Ni2+ recycling. External link, opens in new window. Chemosphere, 279, 130538.

Budnyak, T. M., Vlasova, N. N., Golovkova, L. P., Markitan, O., Baryshnikov, G., Ågren, H., & Slabon, A. (2021). Nucleotide Interaction with a Chitosan Layer on a Silica Surface: Establishing the Mechanism at the Molecular Level. External link, opens in new window. Langmuir, 37(4), 1511-1520.

Deiana, L., Rafi, A. A., Naidu, V. R., Tai, C. W., Bäckvall, J. E., & Córdova, A. (2021). Artificial plant cell walls as multi-catalyst systems for enzymatic cooperative asymmetric catalysis in non-aqueous media. External link, opens in new window. Chemical Communications, 57(70), 8814-8817.

Hilker, S., Posevins, D., Unelius, C. R., & Bäckvall, J. E. (2021). Chemoenzymatic Dynamic Kinetic Asymmetric Transformations of β‐Hydroxyketones. External link, opens in new window. Chemistry–A European Journal, 27(63), 15623-15627.

Kong, W. J., Reil, M., Feng, L., Li, M. B., & Bäckvall, J. E. (2021). Aerobic Heterogeneous Palladium-Catalyzed Oxidative Allenic C− H Arylation: Benzoquinone as a Direct Redox Mediator between O2 and Pd. External link, opens in new window. CCS Chemistry, 3(6), 1127-1137.

Li, M. B., Yang, J., Yang, Y., Xu, G. Y., Luo, G., Yang, J., & Bäckvall, J. E. (2021). Amino‐Supported Palladium Catalyst for Chemo‐and Stereoselective Domino Reactions. External link, opens in new window. Angewandte Chemie, 133(2), 680-684.

Li, M.-B., & Bäckvall, J.-E. (2021). Efficient Heterogeneous Palladium Catalysts in Oxidative Cascade Reactions. External link, opens in new window. Accounts of Chemical Research, 54(9), 2275-2286.

Liu, J., Guðmundsson, A., & Bäckvall, J.-E. (2021). Efficient Aerobic Oxidation of Organic Molecules by Multistep Electron Transfer. External link, opens in new window. Angewandte Chemie International Edition, 60(29), 15686-15704

Martín-Matute, B., Meier, M. A., Métro, T. X., Koenig, S. G., Sneddon, H. F., Sudarsanam, P., & Watts, P. (2021). Sustainable Chemistry and Engineering in Pharma. External link, opens in new window. ACS Sustainable Chemistry & Engineering, 9(40), 13395-13398.

Muangmeesri S., Li, N., Georgouvelas, D., Ouagne, P., Placet, V., Mathew, A. P., Samec, J S. M. S. (2021) Holistic Valorization of Hemp through Reductive Catalytic Fractionation. External link, opens in new window. ACS Sustainable Chem. Eng. 9, 51, 17207–17213.

Posevins, D., Bermejo‐López, A., & Bäckvall, J. E. (2021). Iron‐Catalyzed Cross‐Coupling of Propargyl Ethers with Grignard Reagents for the Synthesis of Functionalized Allenes and Allenols External link, opens in new window.. Angewandte Chemie, 133(41), 22352-22357.

Schriever, K., Saenz-Mendez, P., Rudraraju, R. S., Hendrikse, N. M., Hudson, E. P., Biundo, A., . . . Syrén, P.-O. (2021). Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase. External link, opens in new window. Journal of the American Chemical Society, 143(10), 3794-3807.

Stamm, A., Öhlin, J., Mosbech, C., Olsén, P., Guo, B., Söderberg, E., ... & Syrén, P. O. (2021). Pinene-Based Oxidative Synthetic Toolbox for Scalable Polyester Synthesis. External link, opens in new window. JACS Au, 1(11), 1949-1960.

Thersleff, T., Jenei, I. Z., Budnyk, S., Dörr, N., & Slabon, A. (2021). Soot Nanoparticles Generated from Tribofilm Decomposition under Real Engine Conditions for Identifying Lubricant Hazards. External link, opens in new window. ACS Applied Nano Materials, 4(1), 220-228.

Weis, E., Hayes, M. A., Johansson, M. J., & Martín-Matute, B. (2021). Iridium-catalyzed C−H methylation and d3-methylation of benzoic acids with application to late-stage functionalizations. External link, opens in new window. Iscience, 24(5), 102467.

Weis, E., Johansson, M. J., & Martín‐Matute, B. (2021). Late‐Stage Amination of Drug‐Like Benzoic Acids: Access to Anilines and Drug Conjugates through Directed Iridium‐Catalyzed C− H Activation. External link, opens in new window. Chemistry – A European Journal.


Work package 5: Life cycle assessment and management

Aurisano, N., Huang, L., Milà i Canals, L., Jolliet, O., & Fantke, P. (2021). Chemicals of concern in plastic toys. External link, opens in new window. Environment International, 146, 106194.

Aurisano, N., Weber, R., & Fantke, P. (2021). Enabling a circular economy for chemicals in plastics. External link, opens in new window. Current Opinion in Green and Sustainable Chemistry, 31, 100513.

Fantke, P., W. A. Chiu, L. Aylward, R. Judson, L. Huang, S. Jang, T. Gouin, L. Rhomberg, N. Aurisano, T. McKone and O. Jolliet (2021). Exposure and Toxicity Characterization of Chemical Emissions and Chemicals in Products: Global Recommendations and Implementation in USEtox. External link, opens in new window. Int J Life Cycle Assess, 26(5), 899-915.

Fantke, P., Cinquemani, C., Yaseneva, P., De Mello, J., Schwabe, H., Ebeling, B., & Lapkin, A. A. (2021). Transition to sustainable chemistry through digitalisation. External link, opens in new window. Chem, 7(11), 2866-2882.

Holmquist, H., Roos, S., Schellenberger, S., Jönsson, C., & Peters, G. (2021). What difference can drop-in substitution actually make? A life cycle assessment of alternative water repellent chemicals. External link, opens in new window. Journal of Cleaner Production, 329, 129661.

Rydberg, T., Gunnarsson, J., & Gottfridsson, M. (2021). Global Human Toxicity Potential assessed with the ProScale method for use in Normalisation in LCA. External link, opens in new window. Toxicology Letters, 350, S242.
Read a Mistra SafeChem news article about this research, including link to abstract.

Work package 4: Design and management of chemicals, materials and processes

Budnyak, T. M., Slabon, A., & Sipponen, M. H. (2020). Lignin–Inorganic Interfaces: Chemistry and Applications from Adsorbents to Catalysts and Energy Storage Materials External link, opens in new window.. ChemSusChem, 13(17), 4344-4355.

Li, M.-B., Yang, Y., Rafi, A. A., Oschmann, M., Grape, E. S., Inge, A. K., . . . Bäckvall, J.-E. (2020). Silver‐Triggered Activity of a Heterogeneous Palladium Catalyst in Oxidative Carbonylation Reactions External link, opens in new window.. Angewandte Chemie International Edition, 59(26), 10391-10395.

Onwumere, J., Pia̧tek, J. d., Budnyak, T., Chen, J., Budnyk, S., Karim, Z., . . . Slabon, A. (2020). CelluPhot: Hybrid Cellulose−Bismuth Oxybromide Membrane for Pollutant Removal. External link, opens in new window. ACS applied materials & interfaces, 12(38), 42891-42901.

Szewczyk, I., Rokicińska, A., Michalik, M., Chen, J., Jaworski, A., Aleksis, R., . . . Kuśtrowski, P. (2020). Electrochemical Denitrification and Oxidative Dehydrogenation of Ethylbenzene over N-doped Mesoporous Carbon: Atomic Level Understanding of Catalytic Activity by 15N NMR Spectroscopy. External link, opens in new window. Chemistry of Materials, 32(17), 7263-7273.

Thersleff, T., Budnyk, S., Drangai, L., & Slabon, A. (2020). Dissecting complex nanoparticle heterostructures via multimodal data fusion with aberration-corrected STEM spectroscopy. External link, opens in new window. Ultramicroscopy, 219, 113116.


Work package 5: Life cycle assessment and management

Fantke, P., Huang, L., Overcash, M., Griffing, E., & Jolliet, O. (2020). Life cycle based alternatives assessment (LCAA) for chemical substitution. External link, opens in new window. Green Chemistry, 22(18), 6008-6024.

Jutta Hildenbrand, Steffen Schellenberger, Anna-Karin Hellström, Mikael Larsson, Hanna Holmquist, Tomas Rydberg and Kerstin von Borries (2024). Towards safe and sustainable chemistry – Guidance to the use of the Mistra SafeChem toolbox for life cycle based assessments Pdf, 3.8 MB, opens in new window.

Therese Kärnman (2024). ProScale applied in a Mistra SafeChem case study with BASF – A comparative assessment of the human toxicity potential via direct exposure of a polyamide produced with two different flame retardants Pdf, 3.3 MB, opens in new window.

Joy Ngozi Onwumere and Zhehao Huang (2024). Crystal Engineering for Water Treatment Pdf, 1.2 MB, opens in new window.

Maja Halling (2023). ProScaleE – user needs and perspectives. Interview study for the development of the ProScale methodology. Pdf, 3.7 MB, opens in new window.

Kristina Andersson, Anna-Karin Hellström and Jenny Lundahl (2023). Challenges and opportunities with the EU Taxonomy Regulation – with focus on chemical safety and usage in complex products Pdf, 4.7 MB, opens in new window.

John Munthe, Richard Lihammar, Helena Norin and Emma Strömberg (2022). Opportunities and obstacles for a green chemical industry in Sweden Pdf, 4.7 MB, opens in new window. 

Aji Mathew, Joseph Samec, Belén Martín-Matute, Jan-Erling Bäckvall, Per-Olof Syrén and Adam Slabon (2022). Chemical synthesis – half-time achievements and outlook Pdf, 1.4 MB, opens in new window.

Josefin Neuwirth, Marie Gottfridsson, Tomas Rydberg and Lisa Hallberg (2022). A ProScale case study on indoor wall paint Pdf, 1 MB, opens in new window.

Appiah-Twum, H. (2022) Prospective Life Cycle Assessment of an Electrochemical Hydrogenation Process Over a Nickel Foam Cathode External link, opens in new window. (Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences)

Aitor Bermejo López (2022) Iridium-Catalyzed carbon-heteroatom bond forming reaction via hydrogen transfer. Method Development and Mechanistic elucidations External link, opens in new window. (Stockholm University, Department of Organic Chemistry)

Swarna Baddigham (2022) Use of cellulose nanocrystals from textile waste as support for iridium catalysts (Stockholm University, Department of Organic Chemistry and Department of Materials and Environmental Chemistry)