Synthesis and characterization of polypyrrole decorated graphene/β-cyclodextrin composite for low level electrochemical detection of mercury (II) in water

Mercury (Hg(II)) is considered as one of the most toxic element that directly affects the human health and the environment. Therefore, in this study, we propose a sensitive and disposable electrochemical sensor for the detection of Hg(II) in various water samples using polypyrrole (PPy) decorated graphene/-cyclodextrin (GR-CD) composite modified screen-printed carbon electrode (SPCE). The GRCD/PPy composite was synthesized by chemical oxidation of PPy monomer in GR-CD solution using FeCl3. Differential pulse voltammetry (DPV) is used for the detection of Hg(II) and the DPV results reveal that GR-CD/PPy composite modified SPCE has high sensitivity towards Hg(II) than bare, GR, GR-CD and PPy modified SPCEs. The optimization studies such as effect of pH, accumulating time and effect of scanning potential towards the detection of Hg(II) were investigated. The GR-CD/PPy composite modified SPCE could detect the Hg(II) up to 51.56 M L−1 with the limit of detection (LOD) of 0.47 nM L−1. The obtained LOD was well below the guideline level of Hg(II) set by the World’s Health Organization (WHO) and U.S. Environmental Protection Agency (EPA). In addition, the fabricated GR-CD/PPy composite modified SPCE selectively detected the Hg(II) in the presence of potentially interfering metal cations

Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning

Computational approaches have been used to evaluate and define important residues for protein-protein interactions, especially antigen-antibody complexes. In our previous study, pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants has indicated the key specific residues in the complementary determining regions (CDRs) of scFv anti-p17. In this present investigation in order to determine whether a specific side chain group of residue in CDRs plays an important role in bioactivity, computational alanine scanning has been applied. Molecular dynamics simulations were done with several complexes of original scFv anti-p17 and scFv anti-p17mutants with HIV-1 p17 epitope variants with a production run up to 10 ns. With the combination of pairwise decomposition residue interaction and alanine scanning calculations, the point mutation has been initially selected at the position MET100 to improve the residue binding affinity. The calculated docking interaction energy between a single mutation from methionine to either arginine or glycine has shown the improved binding affinity, contributed from the electrostatic interaction with the negative favorably interaction energy, compared to the wild type. Theoretical calculations agreed well with the results from the peptide ELISA results