Representing and describing nanomaterials in predictive nanoinformatics

This Review discusses how a comprehensive system for defining nanomaterial descriptors can enable a safe-and-sustainable-by-design concept for engineered nanomaterials. Engineered nanomaterials (ENMs) enable new and enhanced products and devices in which matter can be controlled at a near-atomic scale (in the range of 1 to 100 nm). However, the unique nanoscale properties that make ENMs attractive may result in as yet poorly known risks to human health and the environment. Thus, new ENMs should be designed in line with the idea of safe-and-sustainable-by-design (SSbD). The biological activity of ENMs is closely related to their physicochemical characteristics, changes in these characteristics may therefore cause changes in the ENMs activity. In this sense, a set of physicochemical characteristics (for example, chemical composition, crystal structure, size, shape, surface structure) creates a unique 'representation' of a given ENM. The usability of these characteristics or nanomaterial descriptors (nanodescriptors) in nanoinformatics methods such as quantitative structure-activity/property relationship (QSAR/QSPR) models, provides exciting opportunities to optimize ENMs at the design stage by improving their functionality and minimizing unforeseen health/environmental hazards. A computational screening of possible versions of novel ENMs would return optimal nanostructures and manage ('design out') hazardous features at the earliest possible manufacturing step. Safe adoption of ENMs on a vast scale will depend on the successful integration of the entire bulk of nanodescriptors extracted experimentally with data from theoretical and computational models. This Review discusses directions for developing appropriate nanomaterial representations and related nanodescriptors to enhance the reliability of computational modelling utilized in designing safer and more sustainable ENMs.Peer reviewe

PRZYGOTOWANIE NAUCZYCIELI WYCHOWANIA FIZYCZNEGO DO PROWADZENIA WYCHOWANIA FIZYCZNEGO NA PIERWSZYM ETAPIE EDUKACYJNYM

The way PE in early education is regarded seems concerning. Many of those examining the phenomenon have raised the questions: are integrated education teachers sufficiently prepared for teaching PE? Or perhaps PE at this particular stage ought to be handled by PE teachers only? Analysis of the research of many authors (including own research) indicates that physical education graduates are very well prepared specialists, but too demanding for students at this stage of education. However, school principals very rarely entrust them with conducting physical education classes in grades 1-3 of primary school, because in their opinion, teachers of early school education perform them well.Sposób, w jaki postrzegane jest szkolne wychowanie fizyczne na etapie edukacji wczesnoszkolnej, wzbudza zaniepokojenie. Wiele osób podejmujących tę problematykę zadawało sobie pytanie: czy nauczyciele edukacji wczesnoszkolnej są wystarczająco przygotowani do realizacji procesu wychowania fizycznego? A może lekcje wychowania fizycznego na tym etapie edukacji powinni prowadzić nauczyciele wychowania fizycznego? Analiza badań wielu autorów (w tym również badań własnych) wskazuje, iż absolwenci wychowania fizycznego to osoby bardzo dobrze przygotowane specjalistycznie, lecz zbyt wymagające dla uczniów na tym etapie edukacji. Jednak dyrektorzy szkół bardzo rzadko powierzają im prowadzenie zajęć z wychowania fizycznego w klasach I-III szkoły podstawowej, gdyż ich zdaniem dobrze je realizują nauczyciele edukacji wczesnoszkolnej

PRZYGOTOWANIE NAUCZYCIELI WYCHOWANIA FIZYCZNEGO DO PROWADZENIA WYCHOWANIA FIZYCZNEGO NA PIERWSZYM ETAPIE EDUKACYJNYM

The way PE in early education is regarded seems concerning. Many of those examining the phenomenon have raised the questions: are integrated education teachers sufficiently prepared for teaching PE? Or perhaps PE at this particular stage ought to be handled by PE teachers only? Analysis of the research of many authors (including own research) indicates that physical education graduates are very well prepared specialists, but too demanding for students at this stage of education. However, school principals very rarely entrust them with conducting physical education classes in grades 1-3 of primary school, because in their opinion, teachers of early school education perform them well.Sposób, w jaki postrzegane jest szkolne wychowanie fizyczne na etapie edukacji wczesnoszkolnej, wzbudza zaniepokojenie. Wiele osób podejmujących tę problematykę zadawało sobie pytanie: czy nauczyciele edukacji wczesnoszkolnej są wystarczająco przygotowani do realizacji procesu wychowania fizycznego? A może lekcje wychowania fizycznego na tym etapie edukacji powinni prowadzić nauczyciele wychowania fizycznego? Analiza badań wielu autorów (w tym również badań własnych) wskazuje, iż absolwenci wychowania fizycznego to osoby bardzo dobrze przygotowane specjalistycznie, lecz zbyt wymagające dla uczniów na tym etapie edukacji. Jednak dyrektorzy szkół bardzo rzadko powierzają im prowadzenie zajęć z wychowania fizycznego w klasach I-III szkoły podstawowej, gdyż ich zdaniem dobrze je realizują nauczyciele edukacji wczesnoszkolnej

TEACHER – AN OCCUPATION OR A MISSION

Treść artykułu jest próbą refleksji dotyczącą współczesnych wyzwań stojących przed nauczycielem. W odpowiedź na pytanie: kim jest współczesny nauczyciel, wpisana została refleksja na temat tego zawodu.The article is an attempt at a reflection on contemporary challenges a teacher has to face. In response to the question: Who is the contemporary teacher, there has been inscribed a reflection on the profession

Hazard identification of nanomaterials: In silico unraveling of descriptors for cytotoxicity and genotoxicity

Hazard identification and safety assessment of the huge variety of nanomaterials (NMs), calls for robust and validated toxicity screening tests in combination with cheminformatics approaches to identify factors that can drive toxicity. Cytotoxicity and genotoxicity of seventeen JRC repository NMs, derived from titanium dioxide, zinc oxide, silver and silica, were tested in vitro using human lung alveolar epithelial cells A549. Cytotoxicity was assessed with the AlamarBlue (AB) and colony forming efficiency (CFE) assays, and genotoxicity by the enzyme-linked version of the comet assay. Nanoparticle tracking analysis (NTA) was used to measure size of the NMs in stock and in cell culture medium at different time points. Categorization and ranking of cytotoxic and genotoxic potential were performed (EU-NanoREG2 project approach). Descriptors for prediction of NMs toxicity were identified by quantitative structure-activity relationship (QSAR) analysis. Our results showed that ZnO NMs (NM-110 and NM-111), and Ag NMs (NM-300K and NM-302) were cytotoxic, while the TiO2 and SiO2 NMs were non-cytotoxic. Regarding genotoxicity, TiO2 NM-100, ZnO NM-110, SiO2 NM-203 and Ag NM-300K were categorized as positive. Cheminformatics modeling identified electron properties and overall chemical reactivity as important descriptors for cytotoxic potential, HOMO-LUMO energy parameter, ionization potential, pristine size for the NMs´ genotoxic potential, and presence of surface coating as descriptor for induction of DNA oxidized base lesions

Hazard identification of nanomaterials: In silico unraveling of descriptors for cytotoxicity and genotoxicity

Hazard identification and safety assessment of the huge variety of nanomaterials (NMs), calls for robust and validated toxicity screening tests in combination with cheminformatics approaches to identify factors that can drive toxicity. Cytotoxicity and genotoxicity of seventeen JRC repository NMs, derived from titanium dioxide, zinc oxide, silver and silica, were tested in vitro using human lung alveolar epithelial cells A549. Cytotoxicity was assessed with the AlamarBlue (AB) and colony forming efficiency (CFE) assays, and genotoxicity by the enzyme-linked version of the comet assay. Nanoparticle tracking analysis (NTA) was used to measure size of the NMs in stock and in cell culture medium at different time points. Categorization and ranking of cytotoxic and genotoxic potential were performed (EU-NanoREG2 project approach). Descriptors for prediction of NMs toxicity were identified by quantitative structure-activity relationship (QSAR) analysis. Our results showed that ZnO NMs (NM-110 and NM-111), and Ag NMs (NM-300K and NM-302) were cytotoxic, while the TiO2 and SiO2 NMs were non-cytotoxic. Regarding genotoxicity, TiO2 NM-100, ZnO NM-110, SiO2 NM-203 and Ag NM-300K were categorized as positive. Cheminformatics modeling identified electron properties and overall chemical reactivity as important descriptors for cytotoxic potential, HOMO-LUMO energy parameter, ionization potential, pristine size for the NMs´ genotoxic potential, and presence of surface coating as descriptor for induction of DNA oxidized base lesions

Representing and describing nanomaterials in predictive nanoinformatics

This Review discusses how a comprehensive system for defining nanomaterial descriptors can enable a safe-and-sustainable-by-design concept for engineered nanomaterials. Engineered nanomaterials (ENMs) enable new and enhanced products and devices in which matter can be controlled at a near-atomic scale (in the range of 1 to 100 nm). However, the unique nanoscale properties that make ENMs attractive may result in as yet poorly known risks to human health and the environment. Thus, new ENMs should be designed in line with the idea of safe-and-sustainable-by-design (SSbD). The biological activity of ENMs is closely related to their physicochemical characteristics, changes in these characteristics may therefore cause changes in the ENMs activity. In this sense, a set of physicochemical characteristics (for example, chemical composition, crystal structure, size, shape, surface structure) creates a unique 'representation' of a given ENM. The usability of these characteristics or nanomaterial descriptors (nanodescriptors) in nanoinformatics methods such as quantitative structure-activity/property relationship (QSAR/QSPR) models, provides exciting opportunities to optimize ENMs at the design stage by improving their functionality and minimizing unforeseen health/environmental hazards. A computational screening of possible versions of novel ENMs would return optimal nanostructures and manage ('design out') hazardous features at the earliest possible manufacturing step. Safe adoption of ENMs on a vast scale will depend on the successful integration of the entire bulk of nanodescriptors extracted experimentally with data from theoretical and computational models. This Review discusses directions for developing appropriate nanomaterial representations and related nanodescriptors to enhance the reliability of computational modelling utilized in designing safer and more sustainable ENMs.Peer reviewe