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Assessing the mutagenicity of chemicals is an essential task in the drug development process. Usually, databases and other structured sources for AMES mutagenicity exist, which have been carefully and laboriously curated from scientific publications. As knowledge accumulates over time, updating these databases is always an overhead and impractical. In this paper, we first propose the problem of predicting the mutagenicity of chemicals from textual information in scientific publications. More simply, given a chemical and evidence in the natural language form from publications where the mutagenicity of the chemical is described, the goal of the model/algorithm is to predict if it is potentially mutagenic or not. For this, we first construct a golden standard data set and then propose MutaPredBERT, a prediction model fine-tuned on BioLinkBERT based on a question-answering formulation of the problem. We leverage transfer learning and use the help of large transformer-based models to achieve a Macro F1 score of >0.88 even with relatively small data for fine-tuning. Our work establishes the utility of large language models for the construction of structured sources of knowledge bases directly from scientific publications. [ABSTRACT FROM AUTHOR]

Natural antimicrobial peptides (AMPs) and enzymes (AMEs) are promising non-antibiotic candidates against antimicrobial resistance but suffer from low efficiency and poor stability. Here, we develop peptide nanozymes which mimic the mode of action of AMPs and AMEs through de novo design and peptide assembly. Through modelling a minimal building block of IHIHICI is proposed by combining critical amino acids in AMPs and AMEs and hydrophobic isoleucine to conduct assembly. Experimental validations reveal that IHIHICI assemble into helical β-sheet nanotubes with acetate modulation and perform phospholipase C-like and peroxidase-like activities with Ni coordination, demonstrating high thermostability and resistance to enzymatic degradation. The assembled nanotubes demonstrate cascade antifungal actions including outer mannan docking, wall disruption, lipid peroxidation and subsequent ferroptotic death, synergistically killing >90% Candida albicans within 10 min on disinfection pad. These findings demonstrate an effective de novo design strategy for developing materials with multi-antimicrobial mode of actions. Natural antimicrobial peptides and enzymes are good candidates for application but suffer from low stability. Here, the authors report on biomimetic self-assembling peptides which mimic both antimicrobial peptide and enzyme functionality, demonstrating application against fungal infection. [ABSTRACT FROM AUTHOR]

The role of policies and public school canteens as drivers of sustainable and healthy diets is increasingly becoming the center of attention of academics and policy-makers alike. This work therefore aims to assess the environmental, economic and nutritional quality dimensions of the menus consumed across the Local Network of School Canteens in the municipality of Ames (Galicia, Spain). It additionally performs different scenarios to evaluate the effects on the environment-cost-nutritional quality trilemma of implementing two major dietary changes in these menus: introducing more organic products, and shifting toward a more plant-based consumption pattern. To this end, this study considers the following indicators: a) those obtained from an energy and carbon life cycle assessment of the school menus (cradle-to-grave approach), mainly the cumulative energy demand (CED) and the carbon footprint (CF), complemented by some energy efficiency indicators; b) the total cost (TC) of the menus, obtained from their life cycle cost assessment (cradle-to-fork approach); and c) the nutritional quality of the menus, calculated and assessed based on the nutrient rich diet index (NRD 9.3). The CED, CF, TC, and NRD 9.3 index of a daily meal at school canteens are, respectively, estimated at 18.87 MJ, 1.30 kg CO2-eq, EUR 4.65, and 278 per meal. The consumption of animal products and labor (for food preparation) are identified, respectively, as the main environmental impact and economic cost of the menus. The results of our research show how implementing changes in consumption habits toward a more vegetarian diet in school menus makes it possible to include organic products to generate the most positive effects in terms of the environment and nutrition without incurring in cost overruns. Our work discusses the main barriers to be overcome and the political actions that must be enforced to advance the procurement of more sustainable and healthy public food. [ABSTRACT FROM AUTHOR]