Publikacje

Vergauwen, L., Tait, S., Bajard, L., Buławska, N., Gutleb, A. C., Hessel, E., Hilscherová, K., Holbech, H., Kowalska, D., Novák, J., Papaioannou, N., Renieri, E., Roncaglioni, A., Sarigiannis, D. A., Sosnowska, A., van den Brand, A., Jacobs, M. N. & Knapen, D. Adverse outcome pathway network-based approach for the evaluation of thyroid hormone system disruption for human health and environmental regulatory hazard assessment. 215, 110451 (2026) link

Baluk, M. A., Makowski, D., Pieczyńska, A., Nikiforow, K., Łuczak, J., Mikolajczyk, A., Hoang, K., Pinna, N. & Zaleska-Medynska, A. Effects of copper, cobalt, or nickel modification of NH2-MIL-125 oxide-derivatives on simultaneous photocatalytic pollutant degradation and hydrogen generation from natural seawater. 197, 152491 (2026) link

Billat P.-A., Hansen T., De Bruijn V., Boufalaas R., Stefano S., Sosnowska A., Kohl Y., Verstraelen S., Camassa L.M.A., Spänig M., Gabriel C., Sarigiannis D., Krätschmer K., Raitano G., Bulawska N., Ratier A., Zienolddiny-Narui S., Chary A., Serchi T., Viegas S., Mollerup S., Escher S.E., Staal Y.C.M. (2026): NAMs for closing knowledge gaps in assessment of respiratory uptake – a PARC project. Frontiers in Toxicology, 8, 1764276, link

Obeid A.A.A., Oudega T.J., Saracevic E., Devau N., Sosnowska A., Stevenson M.E., Gundacker C., Zoboli O., Zessner M., Derx J. (2026): The effect of different molecular descriptors on PFAS transport and sorption behaviour in saturated porous media. Journal of Hazardous Materials Advances, 23, 101278, link

Judzinska B., Nisterenko W., Bulawska N., Kowalska D., Jagiello K., Sosnowska A., Puzyn T. (2026): Toward In Silico NAMs Analysis of Thyroid Disruption Leading to Developmental Neurotoxicity─A Collection of AOP-Anchored Computational Models. Chemical Research in Toxicology, ACS Publications, link

Mikolajczyk A., Falkowski D., Kim J., Jagiello K., Puzyn T. (2026): A Safe-by-Design Principle Aligned Mixture INteraction TOXicity (MINTOX) Framework for Predicting the Joint Toxicity Effects in Metal Oxide Nanoparticle-Metal Ion Binary Mixtures: Toward Assessment of Innovative Advanced Materials. Small, Wiley Online Library, link

Jagiello K., Ciura K., Muratov V., Merugu S., Halappanavar S., Danielsen P.H., Jacobsen N.R., Mikolajczyk A., Vogele U. (2026): Grouping nanoparticles based on properties and transcriptomic response: are we dealing with a single nanoform or a set of nanoforms with common pulmonary hazards? Environmental Science: Nano, link

Falkowski D., Mikolajczyk A., Skurski P., Brzeski J., Puzyn T. (2026): Machine learning-driven SSbD strategy for discovering next-generation anodes in solid oxide electrolysis cells. International Journal of Hydrogen Energy, 228, 154543, link

Singh Y.R., Greber K.E., Zdybel S., Bogusz K., Kępka K., Gromelski M., Sosnowska A., Dołżonek J., Sawicki W., Puzyn T., Jagiello K., Ciura K. (2026): Can we integrate plasma protein binding data into IATA using new approach methodologies? A case study on bisphenol analogs. Chemico-Biological Interactions, 432, 112004, link

Antoszewski K., Chmielewska K., Jagiello K., Puzyn T. (2026): Designing RNA sequencing experiments: A practical guide to reproducible gene expression analysis. Computational and Structural Biotechnology Journal, 31, 101–119, link

Muratov V., Jagiello K., Puzyn T. (2026): An integrative omics-machine learning framework for predicting pulmonary responses to titanium dioxide nanoparticles. Nanoscale, 18, 7021–7033, link

Dumit V.I., Furxhi I., Nymark P., Afantitis A., Ammar A., Amorim M.J.B., Antunes D., Avramova S., Battistelli C.L., Basei G., Bossa C., Cimpan E., Cimpan M.R., Ciornii D., Costa A., Delpivo C., Dusinska M., Fonseca A.S., Friedrichs S., Hodoroaba V.-D., Hristozov D., Isigonis P., Jeliazkova N., Kochev N., Kranjc E., Maier D., Melagraki G., Papadiamantis A.G., Puzyn T., Rauscher H., Reilly K., Sánchez Jiménez A., Scott-Fordsmand J.J., Shandilya N., Shin H.K., Tancheva G., van Rijn J.P.M., Willighagen E.L., Wyrzykowska E., Bakker M.I., Drobne D., Exner T.E., Himly M., Lynch I. (2026): Challenges and Future Directions in Assessing the Quality and Completeness of Advanced Materials Safety Data for Re-Usability: A Position Paper From the Nanosafety Community. Advanced Sustainable Systems, 10(4), e00567, link

Stone V., Moschini E., Murphy F., Hunt N., Blosi M., Hristozov D., Johnston H., Stenton F., Mikolajczyk A., Oomen A.G., Schmid O., Tsiliki G., Brunelli A., Badetti E., Vogel U., Gajewicz-Skrętna A., Wohlleben W. (2025): Minimising data needs to support the safer design of multicomponent nanomaterials – Application of grouping. Materials Today, 90, 68–85, link

Muratov V.,  Jagiełło K., Puzyn T. (2025): TRIumph in nanotoxicology: simplifying transcriptomics into a single predictive variable, link

Zouraris D., Mavrogiorgis A., Tsoumanis A., Saarimäki L.A., del Giudice G., Federico A., Serra A., Greco D., Rouse I., Subbotina J., Lobaskin V., Jagiello K., Ciura K., Judzinska B., Mikolajczyk A., Sosnowska A., Puzyn T., Gulumian M., Wepener V., Martinez D.S.T., Petry R., El Yamani N., Rundén-Pran E., Murugadoss S., Shaposhnikov S., Minadakis V., Tsiros P., Sarimveis H., Longhin E.M., SenGupta T., Hardie Olsen A.K., Skakalova V., Hutar P., Dusinska M., Papadiamantis A.G., Gheorghe L.C., Reilly K., Brun E., Ullah S., Cambier S., Serchi T., Tämm K., Lorusso C., Dondero F., Melagrakis E., Fraz M.M., Melagraki G., Lynch I., Afantitis A. (2025): CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials. Computational and Structural Biotechnology Journal, 29, 13-28. IF [2024] = 4.1, MNiSW = 100, link

Wyrzykowska E., Balicki M., Anusiewicz I., Rouse I., Lobaskin V., Skurski P., Puzyn T. (2025): Predicting biomolecule adsorption on nanomaterials: a hybrid framework of molecular simulations and machine learning. Nanoscale, 17, 11004-11015, link

Merugu S. , Jagiełło K., Gajewicz-Skrętna A., Halappanavar S., Williams A., Vogel U., Puzyn T. (2025): The impact of carbon nanotube properties on lung pathologies and atherosclerosis through acute inflammation: a new AOP-anchored in silico NAM, link

Božičević L., Jagiełło K., Sosnowska A., Stępnik M., Dusinska M., Lynch I., Peranić N., Capjak I., Fessard V., Cimpan M. R., Arno C. Gutleb, Rundén Pran E., Puzyn T., Vinković Vrček I. (2025): Sex and Gender Dimensions in Hazard and Risk Assessment of Engineered Nanomaterials, link

Kozlowska L., Viegas S., Scheepers P. T.J., Duca R. C., Godderis L., Martins C., Ciura K., Jagiello K., João Silva M., Mahiout S.,  Mārtiņsone I., Matisāne L., van Nieuwenhuyse A. Puzyn T., Sijko-Szpanska M., Verdonck J., Santonen T., the HBM4EU E-waste Study Team (2025): HBM4EU E-waste study – An untargeted metabolomics approach to characterize metabolic changes during E-waste recycling. Environment International 196, 109281, link

Muratov V., Jagiello K., Mikolajczyk A., Høgh Danielsen P., Halappanavar S., Vogel U., Puzyn T. (2025): The Role of Machine Learning in Predicting Titanium Dioxide Nanoparticles Induced Pulmonary Pathology Using Transcriptomic Biomarkers, Journal of Hazardous Materials, 93, 138240, link

Gutleb A. C., Murugadoss S., Stępnik M.,  SenGupta T., El Yamani N., Longhin E. M., Hardie Olsen A., Wyrzykowska E., Jagiello K., Judzinska B. Cambier S.,
Honza T., McFadden E., Shaposhnikov S., Puzyn T,, Serchi T., Weber P., Arnesdotter E., Skakalova V., Jirsova K., Grudzinski I. P., Collins A., Rund´en-Pran E., Dusinska M. (2025): New Approach Methods (NAMs) for genotoxicity assessment of nano- and advanced materials; Advantages and challenges, Mutation Research - Genetic Toxicology and Environmental Mutagenesis 904, 503867,  link

Greber K.E., Kłończyński K.T., Nicman J., Judzińska B., Jarzyńska K. , Singh Y.R., Sawicki W., Puzyn T., Jagiello K., Ciura K. (2025): Application of Biomimetic Chromatography and QSRR Approach for Characterizing Organophosphate Pesticides, Int. J. Mol. Sci. 26, 1855  link

Ciura K., Jarzyńska K., Greber K. E., Sawicki W., Jagiello K., Wielgomas B., Kierkowicz M. (2025): Is the potential for bioaccumulation of cannabinoids underestimated? Insights from biomimetic chromatography in cannabinoid exposure evaluation, Food Chem. Toxicol.  115252.  link

Zouraris, D., Mavrogiorgis, A., Tsoumanis, A., Saarimäki, L. A., Giudice, G. del, Federico, A., Serra, A., Greco, D., Rouse, I., Subbotina, J., Lobaskin, V., Jagiello, K., Ciura, K., Judzinska, B., Mikolajczyk, A., Sosnowska, A., Puzyn, T., Gulumian, M., Wepener, V., Martinez, D. S. T., Petry, R., Yamani, N. E., Rundén-Pran, E., Murugadoss, S., Shaposhnikov, S., Minadakis, V., Tsiros, P., Sarimveis, H., Longhin, E. M., SenGupta, T., Olsen, A.-K. H., Skakalova, V., Hutar, P., Dusinska, M., Papadiamantis, A. G., Gheorghe, L. C., Reilly, K., Brun, E., Ullah, S., Cambier, S., Serchi, T., Tämm, K., Lorusso, C., Dondero, F., Melagrakis, E., Fraz, M. M., Melagraki, G., Lynch, I. & Afantitis, A. (2025): CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials. Computational and Structural Biotechnology Journal 29, 13–28, link

Falkowski, D., Mikolajczyk, A. & Skurski, P. (2025): Harnessing the (CH3)2ZnCl– Anion for Dimethylzinc Stabilization as a Pathway to Stable Dimethylzinc Salts and Dimethylzinc Recovery. The Journal of Physical Chemistry A 129, 3032–3039,  link

Falkowski D., Brzeski J., Mikolajczyk A., Skurski P. (2025): Reversed Stability of Zirconium Oxide Dimer Isomers Triggered by Electron Gain or Removal. Inorganic Chemistry 64, 7224–7238, link

Wyrzykowska E, Balicki M., Anusiewicz I., Rouse I., Lobaskin V., Skurski P., Puzyn T. (2025): Predicting biomolecule adsorption on nanomaterials: a hybrid framework of molecular simulations and machine learning. Nanoscale, 17, 11004-11015,  link

Sosnowska A., Mudlaff M. , Mombelli E., Behnisch P. , Zdybel S. , Besselink H., Kuckelkorn J. , Bulawska N.,Kepka K., Kowalska D., Brouwer A., Puzyn T. (2025): Identification of new PFAS for severe interference with thyroid hormone transport: A combined in vitro/silico approach, Journal of Hazardous Materials, 491, 137949, link

Bulawska N., Sosnowska, A., Kowalska, D., Stepnik M., Puzyn T. (2025): PFAS (per- and polyfluorinated alkyl substances) as EDCs (endocrine-disrupting chemicals) - Identification of compounds with high potential to bind to selected terpenoids NHRs (nuclear hormone receptors), Chemosphere, 370, 143967, link

Varsou D., Banerjee A., Roy J.,Roy K., Savvas G., Sarimveis H., Wyrzykowska E., Balicki M., Puzyn T., Melagraki G., Lynch I., Afantitis A. (2024): The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential. Beilstein J. Nanotechnol. 15, 1536–1553, link

Gao X. J., Ciura K., Ma, Y., Mikolajczyk A., Jagiello K., Wan Y., Gao Y., Zheng J., Zhong S., Puzyn T. & Gao X. (2024): Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers. Adv. Mater. 36, e2407793, link

Pancielejko, A., Baluk, M. A., Zagórska, H., Miodyńska-Melzer, M., Gołąbiewska, A., Klimczuk, T., Krawczyk, M., Pawlyta, M., Matus, K., Mikolajczyk, A., Pinto, H. P., Pieczyńska, A., Dołżonek, J. & Zaleska-Medynska, A. (2024): Cu-incorporated NH 2 -MIL-125(Ti): a versatile visible-light-driven platform for enhanced photocatalytic H 2 generation and CO 2 photoconversion. Mater. Horiz. 12, 957–972 , link

Tal T, Myhre O, Fritsche E, Rüegg J, Craenen K, Aiello-Holden K, Agrillo C, Babin PJ, Escher BI, Dirven H, Hellsten K, Dolva K, Hessel E, Heusinkveld HJ, Hadzhiev Y, Hurem S, Jagiello K, Judzinska B, Klüver N, Knoll-Gellida A, Kühne BA, Leist M, Lislien M, Lyche JL, Müller F, Colbourne JK, Neuhaus W, Pallocca G, Seeger B, Scharkin I, Scholz S, Spjuth O, Torres-Ruiz M and Bartmann K (2024): New approach methods to assess developmental and adult neurotoxicity for regulatory use: a PARC work package 5 project. Front. Toxicol. 6:1359507, IF: 8,06, link

Jeliazkova, N., Longhin, E., Yamani, N., Rundén-Pran, E., Moschini, E., Serchi, T., Vinković Vrček, I., Burgum, M.J., Doak, S.H., Cimpan, M.R., Rios-Mondragon, I., Cimpan, E., Battistelli, C.L., Bossa, C., Tsekovska, R., Drobne, D., Novak, S., Repar, N., Ammar, A., Nymark, P., Di Battista, V., Sosnowska, A., Puzyn, T., Kochev, N., Iliev, L., Jeliazkov, V., Reilly, K., Lynch, I., Bakker, M., del Pivo, C., Sánchez Jiménez, A., Godinho Fonseca, S., Manier, N., Luisa Fernandez-Cruz, M., Rashid, S., Willighagen, E., Apostolova, M.D., Dusinska, M. (2024): A template wizard for the cocreation of machine-readable data-reporting to harmonize the evaluation of (nano)materials, Nature Protocols, IF: 14,8, link

Woziński, M., Greber, Katarzyna E., Pastewska, M., Kolasiński, P., Hewelt-Belka, W., Żołnowska, B., Sławiński, J., Szulczyk, D.,Sawicki W.,Ciura, K. (2024): Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study, Journal of Pharmaceutical and Biomedical Analysis, 239, 115916, IF: 3,4, link

Ciura, K., Moschini, E., Stępnik, M., Serchi, T., Gutleb, A., Jarzyńska, K., Jagiello K., Puzyn, T. (2024): Toward Nano-Specific In Silico NAMs: How to Adjust Nano-QSAR to the Recent Advancements of Nanotoxicology?, Small, 20, 2305581, IF: 13,3, link

Ciura K. (2024): Modeling of small molecule's affinity to phospholipids using IAM-HPLC and QSRR approach enhanced by similarity-based machine algorithms, Journal of Chromatography A, 1714, 464549, IF: 4,1, link

Godlewska K., Białk-Bielińska A., Mazierski P., Zdybel Sz, Sosnowska A., Górzyński D., Puzyn T., Zaleska-Medynska A., Klimczuk T., Paszkiewicz M. (2024): Assessment of the application of selected metal-organic frameworks as advanced sorbents in passive extraction used in the monitoring of contaminants of emerging concern in surface waters, STOTEN, 927, 172215, IF: 9,8, link

Mudlaff M., Sosnowska A., Gorb L., Bulawska N., Jagiello K., Puzyn T., (2024): Environmental impact of PFAS: Filling data gaps using theoretical quantum
chemistry and QSPR modeling, Envoronmental International, 185  108568, IF: 11,8 link

Zdybel Sz., Sosnowska A., Kowalska D., Sommer J., Conrady B., Gromelski M., Puzyn T. (2024): Hybrid machine learning and experimental studies of antiviral potential of ionic liquids against P100, MS2, and Phi6, Journal of Chemical Information and Modeling, IF: 5,6, link

Mikolajczyk, A., Wyrzykowska, E., Mazierski, P., Grzyb, T., Wei, Z., Kowalska, E., Caicedo, P.N.A., Zaleska-Medynska, A., Puzyn, T., Nadolna, J. (2024): Visible-light photocatalytic activity of rare-earth-metal-doped TiO2: Experimental analysis and machine learning for virtual design. Applied Catalysis B: Environment and Energy, IF: 22,1, link

Battista, V. D., Sanchez-Lievanos, K. R., Jeliazkova, N., Murphy, F., Tsiliki, G., Zabeo, A., Gajewicz-Skretna, A., Mikołajczyk, A., Hristozov, D., Stone, V., Schmid, O., Hunt, N., Oomen, A. G. & Wohlleben, W. (2024): Similarity of multicomponent nanomaterials in a safer-by-design context : the case of core–shell quantum dots. Environ. Sci.: Nano (2024), IF: 7,3, link

Kowalska D., Sosnowska A., Zdybel S., Stępnik M., Puzyn T. Predicting bioconcentration factors (BCFs) for per- and polyfluoroalkyl substances (PFAS), Chemosphere 364 (2024), 143146, link

Baluk M. A., Pieczyńska A., Mazierski P., Kroczewska M., Nikiforow K., Mikolajczyk A., Dołżonek J., Łuczak J. & Zaleska-Medynska A. (2024): Effect of copper and silver modification of NH2-MIL-125(Ti) on the photoreduction of carbon dioxide to formic acid over this framework under visible-light irradiation. Appl. Catal. B: Environ. Energy 354, 124107 (2024), link

Głowienke H., Livraghi S., Lisowski W., Klimczuk T., Mikolajczyk A., Falkowski D., Trykowski G., Pawlyta M., Zaleska-Medynska A. & Gołąbiewska A. (2024): From Janus nanoparticles to multi-headed structure - photocatalytic H2 evolution. Int. J. Hydrogen Energy 59, 808–824, link

Nisterenko W., Kułaga D., Woziński M., Singh Y.R., Judzińska B., Jagiello K., Greber K.E., Sawicki W., Ciura K. (2024): Evaluation of Physicochemical Properties of Ipsapirone Derivatives Based on Chromatographic and Chemometric Approaches. Molecules 2024, 29, 1862., link

Adamovsky O., Groh K.J., Białk-Bielińska A., Escher B.I., Beaudouin R., Lagares L.M., Tollefsen K.E., Fenske M., Mulkiewicz E., Creusot N., Sosnowska A., Loureiro S., Beyer J., Repetto G., Štern A., Lopes I., Monteiro M., Zikova-Kloas A., Eleršek T., Vračko M., Zdybel S., Puzyn T., Koczur W., Morthorst J.E., Holbech H., Carlsson G., Örn S., Herrero Ó., Siddique A., Liess M., Braun G., Srebny V., Žegura B., Hinfray N., Brion F., Knapen D., Vandeputte E., Stinckens E., Vergauwen L., Behrendt L., Silva M.J., Bláha L., Kyriakopoulou K. (2024): Exploring BPA alternatives – Environmental levels and toxicity review, link

Czapla M. & Skurski P. (2023): Degradation of selected perfluoroalkyl substances (PFASs) using AlF 3 in water. Phys. Chem. Chem. Phys. 25, 18095–18101, link

Cyraniak A., Freza S. & Skurski P. (2023) Quasidegeneracy of (H2C = B = CH2)– borata-alkene synthon and (H3B–C≡CH)– boryl-substituted acetylene anion induced by an excess electron attachment. Chem. Phys. Lett. 822, 140492, link

Falkiewicz K., Fryca I., Ciura K., Mikolajczyk A., Jagiello K., Puzyn T. (2023): A bibliometric analysis of the recent achievements in pulmonary safety of nanoparticles. Nanotoxicology, 17(8–9), 547–561, link

Lensink M.F. et al. (2023): Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. Proteins: Structure, Function, and Bioinformatics, 91(12), 1658–1683, link

Furxhi I., Kalapus M., Costa A. Puzyn T. (2023): Artificial augmented dataset for the enhancement of nano-QSARs models. A methodology based on topological projections, Nanotoxicology, 17:6-7, 529-544  IF: 5,2, link

Szulczyk, D., Woziński, M., Koliński, M., Kmiecik, S., Głogowska, A., Augustynowicz-Kopeć, E., Dobrowolski, M., Roszkowski, P., Struga, M., Ciura, K., (2023): Menthol- and thymol-based ciprofloxacin derivatives against Mycobacterium tuberculosis: in vitro activity, lipophilicity, and computational studies, Scientific Reports, IF: 4,6, link

Fedorowicz, J.,  D. Cruz, C.,  Morawska, M.,  Ciura, K., Gilbert-Girard, S., Mazur, L.,   Mäkkylä, H.,  Ilina, P., Savijoki, K., Fallarero, A., Tammela, P.,  Sączewski, J.,. (2023).  Antibacterial and antibiofilm activity of permanently ionized quaternary ammonium fluoroquinolones, European Journal of Medicinal Chemistry, IF: 6,7, link

Ciura, K., Fryca, I.,  Gromelski, M.,.(2023). Prediction of the retention factor in cetyltrimethylammonium bromide modified micellar electrokinetic chromatography using a machine learning approach Author links open overlay panel, Microchemical journal, IF: 4,8, link

Mikolajczyk A., Zhdan U., Antoniotti S., Smolinski A., Jagiełło K., Skurski P., Harb M., Puzyn T., Polanski J. (2023). Retrosynthesis from transforms to predictive sustainable chemistry and nanotechnology: a brief tutorial review, Green Chemistry,25, 2971-2991, IF[2023] = 9.8, MNiSW = 200, link

Sengottiyan S., Mikolajczyk A., Jagiełło K., Swirog M., Puzyn T. (2023). Core, Coating, or Corona? The Importance of Considering Protein Coronas in nano-QSPR Modeling of Zeta Potential, ACS Nano, 17, 3, 1989–1997, IF[2023] = 18,027, MNiSW = 200,  link

Sengottiyan S., Mikolajczyk A., Puzyn T. (2023). How Does the Study MD of pH-Dependent Exposure of Nanoparticles Affect Cellular Uptake of Anticancer Drugs?, Int. J. Mol. Sci. 24(4), 3479, IF[2023] = 5,6, MNiSW = 140, link

Mancardi G., Mikolajczyk A., Annapoorani V. K., Bahl A., Blekos K., Burk J., Çetin Y. A. , Chairetakis K., Dutta S., Escorihuela L., Jagiello K., Singhal A., van der Pol R., Bañares M. A., Buchete N.-V., Calatayud M., Dumit V. I., Gardini D., Jeliazkova N., Haase A., Marcoulaki E., Martorell B., Puzyn T., Sevink GJ A. , Simeone F. C., Tämm K., Chiavazzo E. (2023). A computational view on nanomaterial intrinsic and extrinsic features for nanosafety and sustainability, Materials Today, corrected proof, IF[2023] = 24,2, MNiSW = 200, link

Kozlowska, L., Jagiello, K., Ciura, K.,  Sosnowska, A.,  Zwiech, R.,  Zbrog, Z., Wasowicz, W., Gromadzinska, J., (2023). The Effects of Two Kinds of Dietary Interventions on Serum Metabolic Profiles in Haemodialysis Patients, Biomolecules  13(5), 854; IF: 6,064 link

G. del Giudice, A. Serra, L. A. Saarimäki, K. Kotsis, I. Rouse, S. A. Colibaba, K. Jagiello, A. Mikolajczyk, M. Fratello, A. G. Papadiamantis, N. Sanabria, M. E. Annala, J. Morikka, P. A. S. Kinaret, E. Voyiatzis, G. Melagraki, A. Afantitis, K. Tämm, T. Puzyn, M. Gulumian, V. Lobaskin, I. Lynch, A. Federico & D. Greco An ancestral molecular response to nanomaterial particulates, Nature Nanotechnology, IF: 40,523, link

Sosnowska A., Mudlaff M., Gorb L., Bulawska N., Zdybel S., Bakker M., Peijnenburg W., Puzyn T., (2023): Expanding the applicability domain of QSPRs for predicting water solubility and vapor pressure of PFAS, Chemosphere 340, 139965, link

Falkiewicz K., Fryca I., Ciura K., Mikolajczyk A., Jagiello K., Puzyn T. (2023): A bibliometric analysis of the recent achievements in pulmonary safety of nanoparticles. Nanotoxicology, 17(8–9), 547–561, link

Lensink M.F. et al. (2023): Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. Proteins: Structure, Function, and Bioinformatics, 91(12), 1658–1683, link

Sosnowska A., Bulawska N., Kowalska D., Puzyn, T., (2023) Towards higher scientific validity and regulatory acceptance of predictive models for PFAS, Green Chemistry, 25, 1261-1275, IF:9,8, link

Kowalska D., Sosnowska A., Bulawska N., Stepnik M., Besselink H., Behnisch P., Puzyn., (2023) How the Structure of Per- and Polyfluoroalkyl Substances (PFAS) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors—An In Silico Screening Study, Molecules, IF: 4,927, link

Hovorun M. D.., Voiteshenko S. I., Gorb L., (2023). Manifestations of intramolecular H-bonds of CH… O and OH… C type in quercetin molecule: Analysis of IR spectra by mean of density functional theory, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 287, Part, IF: 4,83, link

Murugadoss S., Vinković Vrček I., Schaffert A., Paparella M., Pem B., Sosnowska A., Stępnik M., Martens M., Willighagen EL., Puzyn T., Cimpan M.R., Lemaire F., Mertens B., Dusinska M., Fessard V, Hoet P.H. (2023): Linking Nanomaterial-Induced Mitochondrial Dysfunction to Existing Adverse Outcome Pathways for Chemicals, ALTEX, 41(1), pp. 76–90, link

Mikolajczyk, A., Falkowski, D. (2022).One Step before Synthesis: Structure–Property–Condition Relationship Models to Sustainable Design of Efficient TiO2-Based Multicomponent Nanomaterials." International Journal of Molecular Sciences 23.21 (2022): 13196. APA, IF: 5,6, link

Swirog, M., Mikolajczyk, A., Jagiello, K., Jänes, J., Tämm, K., & Puzyn, T. (2022). Predicting electrophoretic mobility of TiO2, ZnO, and CeO2 nanoparticles in natural waters: The importance of environment descriptors in nanoinformatics models. Science of The Total Environment, 840, 156572. IF: 9,8, link

Wyrzykowska, E., Mikolajczyk, A., Lynch, I. et al. (2022) Representing and describing nanomaterials in predictive nanoinformatics. Nat. Nanotechnol. 17, 924–932, IF: 40,523, link

Parnicka, P., Lisowski, W., Klimczuk, T., Mikolajczyk, A., & Zaleska-Medynska, A. (2022). A novel (Ti/Ce) UiO-X MOFs@ TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators. Applied Catalysis B: Environmental, 310, 121349, IF: 22,1, link

Miodyńska, M., Mikolajczyk, A., Mazierski, P., Klimczuk, T., Lisowski, W., Trykowski, G., & Zaleska-Medynska, A. (2022). Lead-free bismuth-based perovskites coupled with g–C3N4: A machine learning based novel approach for visible light induced degradation of pollutants. Applied Surface Science, 588, 152921., IF: 6,7, link

Sengottiyan, S., Malakar, K., Kathiravan, A., Velusamy, M., Mikolajczyk, A., & Puzyn, T. (2022). Integrated Approach to Interaction Studies of Pyrene Derivatives with Bovine Serum Albumin: Insights from Theory and Experiment. The Journal of Physical Chemistry B., IF: 2,9, link

El Yamani, N., Mariussen, E.,  Gromelski, M.,  Wyrzykowska, E., Grabarek, D., Puzyn, T.,  Tanasescu, S., Dusinska, M., Rundén-Pran E., (2022): Hazard identification of nanomaterials: In silico unraveling of descriptors for cytotoxicity and genotoxicity, NanoToday, IF: 20,72, link

Pastewska, M., Żołnowska, B., Kovačević, S., Kapica, H., Gromelski, M., Stoliński, F., ... & Ciura, K. (2022). Modeling of Anticancer Sulfonamide Derivatives Lipophilicity by Chemometric and Quantitative Structure-Retention Relationships Approaches. Molecules, 27(13), 3965. IF: 4,927, MNiSW =140, link

Kozłowska, L.; Santonen, T.; Duca, R.C.; Godderis, L.; Jagiello, K.; Janasik, B.; Van Nieuwenhuyse, A.; Poels, K.; Puzyn, T.; Scheepers, P.T.J.; Sijko, M.; Silva, M.J.; Sosnowska, A.; Viegas, S.; Verdonck, J.; Wąsowicz, W.; on behalf of HBM4EU Chromates Study Team; on behalf of Statistical Team. (2022) HBM4EU Chromates Study: Urinary Metabolomics Study of Workers Exposed to Hexavalent Chromium, Metabolites, IF: 4,823, MNiSW =100, link

Stoliński, F., Rybińska-Fryca, A., Gromelski, M., Mikolajczyk, A., & Puzyn, T. (2022). NanoMixHamster: a web-based tool for predicting cytotoxicity of TiO2-based multicomponent nanomaterials toward Chinese hamster ovary (CHO-K1) cells. Nanotoxicology, 16(3), 276-289. IF: 6,612, MNiSW =140, link

Stoliński, F., Gromelski, M.,  Jagiello, K.,  Rybińska-Fryca, A.,  Williams, A.,  Halappanavar, S., Vogel, U.,  Puzyn, T., (2022): AOP173 Key Event associated Pathway Predictor – Online application for the prediction of benchmark dose lower bound (BMDLs) of a transcriptomic pathway involved in MWCNTs-induced lung fibrosis, Nanotoxicology, IF: 6,612, MNiSW =140, link

Jagiello, K., Judzińska, B, Sosnowska, A., Lynch, I., Halappanavar, S., Puzyn, T. (2022): Using AOP-Wiki to support the ecotoxicological risk assessment of nanomaterials: first steps in the development of novel Adverse Outcome Pathways, Environmental Science: Nano, IF: 8,131, MNiSW =140, link

Jagiello, K.; Ciura, K (2022): In Vitro to in vivo extrapolation to support developing Next Generation Risk Assessment (NGRA) strategy for nanomaterials, Nanoscale,IF: 7,79, MNiSW =140  link

Murugadoss S. Vinkovic Vrcek I., Pem B., Jagiello K., Judzinska B., Sosnowska A., Martens A., Willighagen E.L., Puzyn., Dusinska M., Cimpan M.R., Fessard V., Hoet P.H., (2021) A strategy towards the generation of testable adverse outcome pathways for nanomaterials, ALTEX - Alternatives to animal experimentation. IF: 5,787, MNiSW =100 link

Sizochenko N., Mikolajczyk A., Syzochenko M., Puzyn T., Leszczynski J. (2021): Zeta potentials (ζ) of metal oxide nanoparticles: A meta-analysis of experimental data and a predictive neural networks modeling, NanoImpact, Volume 22, 100317, IF[2023] = 4,9, MNiSW = 100, link

Mazierski P., Roy J.K., Mikolajczyk A., Wyrzykowska E., Grzyb T., Arellano Caicedo P.N., Wei Z., Kowalska E., Zaleska-Medynska A., Nadolna J. (2021): Systematic and detailed examination of NaYF4-Er-Yb-TiO2 photocatalytic activity under Vis–NIR irradiation: Experimental and theoretical analyses. Applied Surface Science, 536, 147805, link

Ciura K., Ptaszyńska N., Kapica H., Pastewska M., Łęgowska A., Rolka K., Kamysz W., Sawicki W., Greber K.E. (2021): Can Immobilized Artificial Membrane Chromatography Support the Characterization of Antimicrobial Peptide Origin Derivatives? Antibiotics, 10(10), 1237, link

Ciura K., Kovaćević S., Pastewska M., Kapica H., Kornela M., Sawicki W. (2020) Prediction of the chromatographic hydrophobicity index with immobilized artificial membrane chromatography using simple molecular descriptors and artificial neural networks Journal of Chromatography A 1660, ID: 462666 IF [2019] = 4.759, MNiSW = 100,  link

Kinaret P.A.S, Serra A., Federico A., Kohonen P., Nymark P., Liampa I.,Ha M.K., Choi J-S., Jagiello K.,Sanabria N., Melagraki G., Cattelani L., Fratello M., Sarimveis H., Afantitis A.,Yoon T-H., Gulumian M., Grafström R., Puzyn T., Greco D. (2020): Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, Regulatory Aspects. Nanomaterials, 10(4), 750. IF: 4.034, link 

Federico, A.; Serra, A.; Ha, M.K.; Kohonen, P.; Choi, J.-S.; Liampa, I.; Nymark, P.; Sanabria, N.; Cattelani, L.; Fratello, M.; Kinaret, P.A.S.; Jagiello, K.; Puzyn, T.; Melagraki, G.; Gulumian, M.; Afantitis, A.; Sarimveis, H.; Yoon, T.-H.; Grafström, R.; Greco, D., (2020): Transcriptomics in Toxicogenomics, Part II: Preprocessing and Differential Expression Analysis for High  Quality Data, Nanomaterials,  10(5),  903, link.

Serra, A.; Fratello, M.; Cattelani, L.; Liampa, I.; Melagraki, G.; Kohonen, P.; Nymark, P.; Federico, A.; Kinaret, P.A.S.; Jagiello, K.; Ha, M.K.; Choi, J.-S.; Sanabria, N.; Gulumian, M.; Puzyn, T.; Yoon, T.-H.; Sarimveis, H.; Grafström, R.; Afantitis, A.; Greco, D., (2020): Transcriptomics in Toxicogenomics, Part III: Data Modelling for Risk Assessment. Nanomaterials, 10(4), 708, link

Jagiello K., Halappanavar S., Rybinska-Fryca A., Williams A., Vogel U., Puzyn T. (2020): Transcriptomic-based and AOP-informed structure-activity relationships to predict pulmonary pathology induced by multiwalled caron nanotubes, Small link

Isigonis P., Afantitis A., Antunes D., Bartonova A., Beitollahi A., Bohmer N., Bouman E., Chaudhry Q., Cimpan M.R., Cimpan E., Doak S., Dupin D., Fedrigo D., Fessard V., Gromelski M., Gutleb A.C., Halappanavar S., Hoet P., Jeliazkova N., Jomini S., Lindner S., Linkov I., Longhin E.M., Lynch I., Malsch I., Marcomini A., de la Fuente J.M., Melagraki G., Murphy F., Neaves M., Packroff R., Pfuhler S., Puzyn T., Rahman Q., Semenzin E., Serchi T., Steinbach Ch., Trump B., Vinković Vrček I., Warheit D., Wiesner M.R., Willighagen E., Dusinska M.. (2020): RiskGONE and NanoSolveIT Project: Risk governance of emerging technologies demonstrated in terms of its applicability to nanomaterials. Nanomaterials, link

Rybińska-Fryca A., Mikolajczyk A., Puzyn T. (2020): Structure–activity prediction networks (SAPNets): a step beyond Nano-QSAR for effective implementation of the safe-by-design concept. Nanoscale, link

Afantitis A., Melagraki G., Isigonis P., Tsoumanis A., Varsou D.D., Valsami-Jones E., Papadiamantis A., Ellis L-J.A., Sarimveis H., Doganis P., Karatzas P., Tsiros P., Liampa I., Lobaskin V., Greco D., Serra A., Kinaret P.A.S., Saarimäki L.A., Grafström R., Kohonen P., Nymark P., Willighagen E., Puzyn T., Rybinska-Fryca A., Lyubartsev A., Jensen K.A., Brandenburg J.G., Lofts S., Svendsen C., Harrison S., Maier D., Tamm K., Jänes J., Sikk J., Dusinska M., Longhin E., Rundén-Pran E., Mariussen E., El Yamani N., Unger W., Radnik J., Tropsha A., Cohen Y., Leszczynski J., Hendren Ch.O., Wiesner M., Winkler D., Suzuki N., Yoon T.H., Choi J-S., Sanabria N., Gulumian M., Lynch I. (2020): NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and Structural Biotechnology Journal, 18, 583-602. IF [2018] = 4.72, MNiSW = 100, link, link

Malankowska A., Mikołajczyk A., Mędrzycka J., Wysocka I., Nowaczyk G., Jarek M., Puzyn T., Mulkiewicz E. (2020): The effect of Ag, Au, Pt, and Pd on the surface properties, photocatalytic activity and toxicity of multicomponent TiO2-based nanomaterials. Environmental Science: Nano, 7, 3557–3574, link

Rybińska-Fryca A., Mikolajczyk A., Łuczak J., Paszkiewicz-Gawron M., Paszkiewicz M., Zaleska-Medynska A., Puzyn T. (2020): How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies. Journal of Colloid and Interface Science, 572, 396–407, link

Miodyńska M., Mikolajczyk A., Bajorowicz B., Zwara J., Klimczuk T., Lisowski W., Trykowski G., Pinto H.P., Zaleska-Medynska A. (2020): Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance. Applied Catalysis B: Environmental, 272, 118962, link

Parnicka P., Mikolajczyk A., Pinto H.P., Lisowski W., Klimczuk T., Trykowski G., Bajorowicz B., Zaleska-Medynska A. (2020): Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6. Applied Surface Science, 525, 146596, link

Bajorowicz B., Mikolajczyk A., Pinto H.P., Miodyńska M., Lisowski W., Klimczuk T., Kaplan-Ashiri I., Kazes M., Oron D., Zaleska-Medynska A. (2020): Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites. The Journal of Physical Chemistry C, 124, 26769–26779, link

Mazierski P., Mikolajczyk A., Grzyb T., Arellano Caicedo P.N., Wei Z., Kowalska E., Pinto H.P., Zaleska-Medynska A., Nadolna J. (2020): On the excitation mechanism of visible responsible Er-TiO2 system proved by experimental and theoretical investigations for boosting photocatalytic activity. Applied Surface Science, 527, 146815, link

Karatzas P., Melagraki G., Ellis L.-J.A., Lynch I., Varsou D.-D., Afantitis A., Tsoumanis A., Doganis P., Sarimveis H. (2020): Development of Deep Learning Models for Predicting the Effects of Exposure to Engineered Nanomaterials on Daphnia magna. Small, 16(36), 2001080, link

Parnicka P., Grzyb T., Mikolajczyk A., Wang K., Kowalska E., Steinfeldt N., Klein M., Mazierski P., Zaleska-Medynska A., Nadolna J. (2019): Experimental and theoretical investigations of the influence of carbon on a Ho3+-TiO2 photocatalyst with Vis response. Journal of Colloid and Interface Science, 549, 212–224, link

Mazierski P., Sowik J., Miodyńska M., Trykowski G., Mikołajczyk A., Klimczuk T., Lisowski W., Nadolna J., Zaleska-Medynska A. (2019): Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation. Dalton Transactions, 48, 1662–1671, link

Mikolajczyk A., Sizochenko N., Mulkiewicz E., Malankowska A., Rasulev B., Puzyn T. (2019): A chemoinformatics approach for the characterization of hybrid nanomaterials: safer and efficient design perspective. Nanoscale, 11, 11808–11818, link

Sowik J., Miodyńska M., Bajorowicz B., Mikolajczyk A., Lisowski W., Klimczuk T., Kaczor D., Zaleska-Medynska A., Malankowska A. (2019): Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots. Applied Surface Science, 464, 651–663, link

Mazierski P., Arellano Caicedo P.N., Grzyb T., Mikolajczyk A., Roy J.K., Wyrzykowska E., Wei Z., Kowalska E., Puzyn T., Zaleska-Medynska A., Nadolna J. (2019): Experimental and computational study of Tm-doped TiO2: the effect of Li+ on Vis-response photocatalysis and luminescence. Applied Catalysis B: Environmental, 252, 138–151, link

Wyrzykowska E., Gromelski M., Ciura K., Swirog M., Sosnowska A., Puzyn T. (2023): QSAR in risk assessment of nanomaterials. In: Hong H. (ed.), QSAR in Safety Evaluation and Risk Assessment. Academic Press, 483–493, link

Wyrzykowska E., Jagiełło K., Rasulev B., Puzyn T. (2020): Descriptors in nano-QSAR/QSPR modeling. In: Gajewicz A., Puzyn T.: Computational nanotoxicology: challenges and perspectives, 245–302, Jenny Stanford Publishing, Singapore. ISBN 9789814800648