The charge transfer (CT) reactions in nucleic acids are crucial for genome damage and repair and nanoelectronics using DNA as a molecular conductor. Previous experimental and theoretical works underlined the significance of nucleic acid structural dynamics on CT kinetics, requiring models that incorporate the dynamics of the nucleic acid, solvents, and counterions. Here, we investigated hole transfer kinetics in poly adenine single and double strands at various temperatures and the rate enhancement due to adenine-to-7-deazaadenine mutation by means of a QM/MM approach.
View Article and Find Full Text PDFThe world is lagging in achieving the 2030 Agenda's 17 Sustainable Development Goals (SDGs), emphasizing social, economic, and environmental dimensions. Meeting one target may either help or hinder meeting another, but the high number of potential interactions complicates the evaluation of synergies and trade-offs. Here, we focus on the water-energy-food nexus to assess how the knowledge of SDG interlinkages has been operationalized to inform policymaking.
View Article and Find Full Text PDFIn the chronic phase of Chagas disease (CCD), diagnosis relies on detecting specific IgG antibodies due to the low or absent presence of the parasite in human blood. However, the performance of current serological tests is highly variable, lacking a "" assay with 100% sensitivity and specificity, which challenges the exploration of new biomarkers. In the present study, we evaluated the diagnostic accuracy of an optimized ELISA using the predicted immunogenic domains (called TcD3 and TcD6) of Tc323, a protein highly conserved among strains but absent in other clinically significant parasites such as .
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