Article
Environmental Sciences
Didem Ag Seleci, Georgia Tsiliki, Kai Werle, Derek A. Elam, Omena Okpowe, Karsten Seidel, Xiangyu Bi, Paul Westerhoff, Emma Innes, Matthew Boyles, Mark Miller, Anna Giusti, Fiona Murphy, Andrea Haase, Vicki Stone, Wendel Wohlleben
Summary: This work discusses the justification of grouping of nanoforms based on similarity of their surface reactivity, using four reactivity assays. A novel similarity assessment algorithm was applied to quantify similarities between pairs of nanoforms, with focus on the concentration-response in mass-metrics. Despite differences in outcomes from different reactivity assays, some pairs of case study nanoforms were considered sufficiently similar based on in vivo NOAECs, indicating conservative assessment by the abiotic assays.
Article
Computer Science, Artificial Intelligence
Fanman Meng, Kaixu Huang, Hongliang Li, Shuai Chen, Qingbo Wu, King N. Ngan
Summary: This paper proposes an improved CAM generation method by training multiple classification models and using hierarchical clustering to obtain more discriminative class activation maps. Experimental results show superior performance of the proposed method on the PASCAL VOC 2012 dataset.
NEURAL COMPUTING & APPLICATIONS
(2021)
Article
Nanoscience & Nanotechnology
Luisana Di Cristo, Gemma Janer, Susan Dekkers, Matthew Boyles, Anna Giusti, Johannes G. Keller, Wendel Wohlleben, Hedwig Braakhuis, Lan Ma-Hock, Agnes G. Oomen, Andrea Haase, Vicki Stone, Fiona Murphy, Helinor J. Johnston, Stefania Sabella
Summary: This study presents four grouping hypotheses for dermal toxicity of nanoforms (NFs) and develops tailored Integrated Approach to Testing and Assessment (IATA) for each hypothesis. The importance of considering NF dissolution in sweat fluids for dermal exposure is demonstrated. It is expected that these approaches will expedite the risk assessment of dermal toxicity for NFs.
Article
Materials Science, Paper & Wood
Saija Vaisanen, Harri Kosonen, Matti Ristolainen, Tapani Vuorinen
Summary: The study found that hydrolysis under medium consistency (10%) conditions can increase the solubility of cellulose, while hydrolysis under high consistency (50%) conditions only increases solubility to a certain extent, with prolonged treatment causing fiber aggregation and poor dissolution. Additionally, viscosity needs to decrease to a certain level for fiber dissolution to occur.
Article
Environmental Sciences
Nina Jeliazkova, Eric Bleeker, Richard Cross, Andrea Haase, Gemma Janer, Willie Peijnenburg, Mario Pink, Hubert Rauscher, Claus Svendsen, Georgia Tsiliki, Alex Zabeo, Danail Hristozov, Vicki Stone, Wendel Wohlleben
Summary: This paper discusses methods for grouping nanoforms and evaluating data similarity, emphasizing the property-by-property evaluation of the data matrix to support grouping. Multidimensional approaches were found to offer unexpected insights from a scientific perspective, but were deemed difficult to use in a regulatory context.
Article
Construction & Building Technology
Yong Tao, Dawei Wan, Wenqin Zhang, Fazhou Wang, Shuguang Hu
Summary: The dissolution characteristics of tetracalcium aluminoferrite crystals are mainly determined by the dissolution of Ca ions, as well as the dissolution rates of tetrahedral Al and Fe ions.
CEMENT AND CONCRETE RESEARCH
(2021)
Article
Materials Science, Paper & Wood
Elisa Sponla, Jenni Rahikainen, Antje Potthast, Stina Gronqvist
Summary: The sustainability of regenerated cellulosic fibres can be improved by using paper grade pulp instead of dissolving pulp, but adjusting the molar mass distribution (MMD) is necessary for good solubility and spinnability. Enzymatic treatments were used to adjust the MMD of softwood and eucalyptus kraft pulps, and it was found that eucalyptus pulp required a higher dose of endoglucanase compared to softwood pulp. Combining xylanase with endoglucanase reduced the required endoglucanase dose for eucalyptus pulp, indicating that xylan inhibited the enzymatic treatment. The different processabilities of the pulps were attributed to differences in cellulose accessibility and hemicellulose composition and localization.
Article
Multidisciplinary Sciences
Maurice Michel, Carlos Benitez-Buelga, Patricia A. Calvo, Bishoy M. F. Hanna, Oliver Mortusewicz, Geoffrey Masuyer, Jonathan Davies, Olov Wallner, Kumar Sanjiv, Julian J. Albers, Sergio Castaneda-Zegarra, Ann-Sofie Jemth, Torkild Visnes, Ana Sastre-Perona, Akhilesh N. Danda, Evert J. Homan, Karthick Marimuthu, Zhao Zhenjun, Celestine N. Chi, Antonio Sarno, Elisee Wiita, Catharina von Nicolai, Anna J. Komor, Varshni Rajagopal, Sarah Muller, Emily C. Hank, Marek Varga, Emma R. Scaletti, Monica Pandey, Stella Karsten, Hanne Haslene-Hox, Simon Loevenich, Petra Marttila, Azita Rasti, Kirill Mamonov, Florian Ortis, Fritz Schoemberg, Olga Loseva, Josephine Stewart, Nicholas D'Arcy-Evans, Tobias Koolmeister, Martin Henriksson, Dana Michel, Ana de Ory, Lucia Acero, Oriol Calvete, Martin Scobie, Christian Hertweck, Ivan Vilotijevic, Christina Kalderen, Ana Osorio, Rosario Perona, Alexandra Stolz, Pal Stenmark, Ulrika Warpman Berglund, Miguel de Vega, Thomas Helleday
Summary: We describe a small molecule that interacts with OGG1, increases enzyme activity and generates a new lyase function. This molecule controls catalytic activity and alters the repair process of oxidative DNA damage. The findings may have therapeutic applications in various diseases and aging.
Article
Chemistry, Multidisciplinary
Luisana Di Cristo, Agnes G. Oomen, Susan Dekkers, Colin Moore, Walter Rocchia, Fiona Murphy, Helinor J. Johnston, Gemma Janer, Andrea Haase, Vicki Stone, Stefania Sabella
Summary: The article presents nine integrated approaches to testing and assessment (IATAs) for grouping ingested nanomaterials, using decision trees and tiered testing strategies to support grouping decisions and indicate implications per group.
Article
Medicine, Legal
Heidi Stratmann, Wendel Wohlleben, Martin Wiemann, Antje Vennemann, Nicole End, Ulrich Veith, Lan Ma-Hock, Robert Landsiedel
Summary: A non-animal testing battery was presented to identify poorly soluble, low toxicity substances based on solubility, surface reactivity, and effects on alveolar macrophages in vitro. The results showed that this battery could effectively classify pigments into different categories, reducing the need for animal testing and guiding product development towards safer applications.
REGULATORY TOXICOLOGY AND PHARMACOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Guojia Yu, Xinjian Chen, Lichao He, Xiangrong Li, Zhiyong Zhou, Zhongqi Ren
Summary: The solubility of insoluble telmisartan was improved by forming new cocrystal forms with several aromatic carboxylic acids. All solid forms showed three dissolution modes, with TEL-HBA achieving maximum release equilibrium within 30 minutes. The most stable form was the TEL-HBA mixture, which was selected for further thermodynamic study and found to form a 1:1 complexation with HCl (0.1 M) solution.
Article
Construction & Building Technology
Shaoxiong Ye, Pan Feng, Jinyuan Lu, Lixiao Zhao, Qi Liu, Qi Zhang, Jiaping Liu, Jeffrey W. Bullard
Summary: In this study, the solubility product of cubic tricalcium aluminate (C(3)A) as a function of temperature between 10°C and 40°C was measured for the first time. The measurements were used to estimate the functional dependence of the standard Gibbs energy of dissolution on temperature, which can be applied in refining thermodynamic models of cementitious materials and related simulation approaches for predicting concrete binder microstructure development.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Pharmacology & Pharmacy
Mark McAllister, Talia Flanagan, Susan Cole, Andreas Abend, Evangelos Kotzagiorgis, Jobst Limberg, Heather Mead, Victor Mangas-Sanjuan, Paul A. Dickinson, Andrea Moir, Xavier Pepin, Diansong Zhou, Christophe Tistaert, Aristides Dokoumetzidis, Om Anand, Maxime Le Merdy, David B. Turner, Brendan T. Griffin, Adam Darwich, Jennifer Dressman, Claire Mackie
Summary: In 2021, a webinar series organized by the Academy of Pharmaceutical Sciences Biopharmaceutics focus group focused on the challenges of developing clinically relevant dissolution specifications (CRDSs) for oral drug products. Industrial, regulatory, and academic scientists came together to discuss progress, emerging trends, and areas for collaboration and harmonization in this field.
Article
Environmental Sciences
Johannes G. Keller, Michael Persson, Philipp Mueller, Lan Ma-Hock, Kai Werle, Josje Arts, Robert Landsiedel, Wendel Wohlleben
Summary: This study investigated the impact of dissolution behavior of different nanoforms on toxicity assessment, revealing differences in dissolution rates, half-times, and transformations under specific conditions. Numerical rules were proposed based on the observations to assess the similarity of NFs within a group.
Article
Pharmacology & Pharmacy
Hasan Afzaal, Shahiq-uz-Zaman, Adil Saeed, Syed Damin Abbas Hamdani, Amir Raza, Alvina Gul, Mustafeez Mujtaba Babar, Jayakumar Rajadas
Summary: A mucoadhesive formulation has been developed to improve the absorption of drugs through the intravaginal route, and an efficient assay method has been established for quantification of the drug molecule.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Chemistry, Medicinal
Ilaria Zanoni, Johannes G. Keller, Ursula G. Sauer, Philipp Mueller, Lan Ma-Hock, Keld A. Jensen, Anna Luisa Costa, Wendel Wohlleben
Summary: This study tested the effects of six different artificial phagolysosomal simulant fluids (PSFs) on the dissolution kinetics and particle size of engineered nanomaterials (ENM). The results showed that the selection of appropriate simulant fluids is crucial for accurately predicting the dissolution rate of ENM in physiological conditions.
CHEMICAL RESEARCH IN TOXICOLOGY
(2022)
Review
Chemistry, Multidisciplinary
Wendel Wohlleben, Annette Mehling, Robert Landsiedel
Summary: Chemicals can be assessed for hazard in groups based on their similar structures and toxicological properties, similar to how elements are grouped in the periodic system. Strategies for chemical grouping have been used to support the evaluation of human health hazards, exposures, and risks, as shown in case studies. Structural similarity is commonly used as the basis for grouping, but it may not always be sufficient. Ten principles for grouping have been derived, including transparency, adequacy of methods, and consideration of toxicological properties, which can facilitate effective risk management.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Gastroenterology & Hepatology
Luc J. W. van der Laan, Thijs Bosker, Willie J. G. M. Peijnenburg
Summary: A new report from the World Health Organization assesses the risks of dietary exposure to nanoplastic and microplastic particles. Although detecting these particles in food and beverages remains challenging, human exposure is evident. So far, there is no convincing evidence of adverse health effects, but significant knowledge gaps remain.
NATURE REVIEWS GASTROENTEROLOGY & HEPATOLOGY
(2023)
Article
Chemistry, Analytical
Vittorio Albergamo, Wendel Wohlleben, Desiree L. Plata
Summary: Sunlight exposure can reduce microplastics pollution in the surface ocean, but it also leads to the release of dissolved organic carbon (DOC) with unknown characteristics and fate. This study investigated the effects of solar radiation on different types of polyurethane microplastics and their release of DOC. The results showed that polyurethane microplastics were degraded by UV photo-oxidation, and the released DOC varied among different types of polyurethane. Chemical assessment of DOC emissions and analysis of aged microplastics are both necessary to understand plastic photodegradation in the ocean.
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
(2023)
Article
Chemistry, Analytical
Yue Liu, Xiaobing Chen, Jianchen Zhao, Wenjie Jin, Kun Zhang, Jiao Qu, Ya-nan Zhang, Guangchao Chen, Willie J. G. M. Peijnenburg
Summary: Organic compounds can generate hydroxyl radicals (OH) through excited triplet states, and investigating their generation mechanism and quantum yield is crucial for understanding indirect photochemical processes in the environment. In this study, the OH quantum yields of 20 organic compounds were determined experimentally and a quantitative structure-activity relationship (QSAR) model was developed to predict the yields for organic pollutants. The results indicate that electron distribution and electronegativity of organic compounds are the main factors determining OH generation.
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
(2023)
Review
Chemistry, Multidisciplinary
Nienke Ruijter, Lya G. Soeteman-Hernandez, Marie Carriere, Matthew Boyles, Polly McLean, Julia Catalan, Alberto Katsumiti, Joan Cabellos, Camilla Delpivo, Araceli Sanchez Jimenez, Ana Candalija, Isabel Rodriguez-Llopis, Socorro Vazquez-Campos, Flemming R. Cassee, Hedwig Braakhuis
Summary: The Safe-by-Design (SbD) concept aims to enhance the development of safer materials/products by reducing hazards and exposures through timely interventions. This review evaluates commonly used in vitro assays for their suitability in SbD hazard testing of nanomaterials (NMs). It also discusses the effects of various factors on predictivity and the compatibility of assays with advanced materials and NMs released during the lifecycle.
Article
Engineering, Environmental
Thalea Schlender, Markus Viljanen, Jan N. van Rijn, Felix Mohr, Willie J. G. M. Peijnenburg, Holger H. Hoos, Emiel Rorije, Albert Wong
Summary: Toxicological information on chemical compounds is often limited, so alternative methods like quantitative structure-activity relationship (QSAR) models are preferred to infer toxicity. In this study, we benchmark various state-of-the-art meta-learning techniques for building QSAR models, focusing on knowledge sharing between species. Our experiments show that established knowledge-sharing techniques outperform single-task approaches, and we recommend the use of multi-task random forest models for aquatic toxicity modeling in low-resource settings.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Raphael Bruengel, Johannes Rueckert, Philipp Mueller, Frank Babick, Christoph M. Friedrich, Antoine Ghanem, Vasile-Dan Hodoroaba, Agnieszka Mech, Stefan Weigel, Wendel Wohlleben, Hubert Rauscher
Summary: The new recommended definition of a nanomaterial adopted by the European Commission in 2022 will have a significant impact on EU legislation addressing chemicals. The NanoDefiner framework and its e-tool implementation, developed as part of the NanoDefine project, provide instruments to determine whether a material is a nanomaterial or not. The framework and e-tool have been adjusted to align with the updated recommendation and validated through case studies.
Article
Environmental Sciences
Fan Zhang, Zhuang Wang, Willie J. G. M. Peijnenburg, Martina G. Vijver
Summary: Research on theoretical prediction methods for the mixture toxicity of engineered nanoparticles (ENPs) is challenging. In this study, we used machine learning techniques and experimental data to predict the combined toxicity of metallic ENPs for Escherichia coli. The developed QSAR models performed better than the component-based models and could provide a basis for the ecological risk assessment of ENP mixtures.
ENVIRONMENT INTERNATIONAL
(2023)
Article
Engineering, Environmental
Kailun Sun, Jason C. White, Hao Qiu, Cornelis A. M. van Gestel, Willie J. G. M. Peijnenburg, Erkai He
Summary: In this study, a coelomocyte-based in vivo exposure strategy combined with lipidomics and transcriptomics was used to identify the potential risks of MoS2 nanosheets on earthworms. The results showed that nontransformed MoS2 nanosheets inhibited genes related to transmembrane transport and caused differential upregulation of phospholipid content, while UV-transformed MoS2 nanosheets specifically upregulated glyceride metabolism and lipid peroxidation degree. Pathology image quantification demonstrated that UV-transformed MoS2 nanosheets caused more severe epithelial damage and intestinal steatosis compared to nontransformed ones. This study revealed differential adverse outcome pathways and demonstrated the potential of lipidomics analysis for accurate soil risk assessment of emerging contaminants.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Multidisciplinary Sciences
Jolanta Wiejak, Fiona A. Murphy, Pasquale Maffia, Stephen J. Yarwood
Summary: This study aims to determine the importance of vascular smooth muscle cells (VSMCs) in shaping the extracellular cytokine/chemokine profile and transcriptional responses of vascular endothelial cells (VECs) to macrophage activation. The results demonstrate that the presence of VSMCs enhances cytokine production and inflammatory gene expression. These findings highlight the crucial role of VSMCs in immune/endothelial cell interplay.
SCIENTIFIC REPORTS
(2023)
Article
Engineering, Environmental
Wendel Wohlleben, Markus Rueckel, Lars Meyer, Patrizia Pfohl, Glauco Battagliarin, Thorsten Hueffer, Michael Zumstein, Thilo Hofmann
Summary: Compostable plastics, when added into composting, undergo disintegration under industrial composting conditions. Fragmentation peaks were observed, with 25-75 μm size fragments reaching the highest peak after only one week. Larger fragments peaked earlier, while smaller ones peaked later and were less frequent. Depolymerization was identified as the main driving force for disintegration, and there was no accumulation of particulate fragments of any size.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Yuchao Song, Vivi Rottschaefer, Martina G. Vijver, Willie J. G. M. Peijnenburg
Summary: The dissolution of nanoparticles (NPs) is crucial for the safety assessment and risk assessment of NPs. This research collected secondary data on NP dissolution and developed a model to calculate dissolution rate constants based on initial dissolution kinetics and pseudo-first order reaction kinetics. The information obtained from characterizing dissolution rates and parameters can be used for grouping NPs and developing predictive models for newly developed nanomaterials.
ENVIRONMENTAL SCIENCE-NANO
(2023)
Article
Medicine, Research & Experimental
Fiona A. Murphy, Helinor J. Johnston, Susan Dekkers, Eric A. J. Bleeker, Agnes G. Oomen, Teresa F. Fernandes, Kirsten Rasmussen, Paula Jantunen, Hubert Rauscher, Neil Hunt, Luisana di Cristo, Hedwig M. Braakhuis, Andrea Haase, Danail Hristozov, Wendel Wohlleben, Stefania Sabella, Vicki Stone
Summary: Manufacturing and functionalizing materials at the nanoscale has led to the generation of various nanoforms of substances. Testing every unique nanoform for adverse effects is impossible, thus hypothesis-driven grouping and read-across approaches supported by the GRACIOUS Framework are promising alternatives for efficient risk assessment. The framework enables the assessment of similarity between nanoforms, minimizing the need for new testing and aligning with the 3R principles. The template used to generate GRACIOUS grouping hypotheses and the IATAs provide a structured approach for data gathering, facilitating decision-making.
ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION
(2023)
Article
Engineering, Environmental
Fazel Abdolahpur Monikh, Willie Peijnenburg, Agnes G. Oomen, Eugenia Valsami-Jones, Vicki Stone, Raine Kortet, Jarkko Akkanen, Peng Zhang, Jukka Kekalainen, Alena Sevcu, Jussi V. K. Kukkonen
Summary: This paper provides an overview of the definition, categorization, challenges, and prospects of advanced materials (AdMas) in toxicology. Solutions for addressing AdMas are proposed, including the development of legal frameworks considering human and environmental risks and the use of classification to facilitate the identification of hazards associated with new AdMas.
ENVIRONMENTAL SCIENCE-ADVANCES
(2023)
