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The interactions between a size-expanded Guanine analogue x-Guanine (xG) and gold nanoclusters, Au n (n ¼ 2, 4, 6, and 8), were studied theoretically using density functional theory. Geometries of neutral complexes were optimized using the B3LYP functional with the 6-31þG(d,p) basis set for xG and the LANL2DZ basis set for gold clusters. The binding modes, interaction strength, and the charge-transfer properties of different Au n -xG complexes were investigated. Natural population analysis was performed for natural bond order charges. It was found that gold nanoclusters form stable complexes with xG and these binding results in a substantial amount of electronic charge being transferred from xG to the gold clusters. The vertical first ionization potential, electron affinity, Fermi Level, and the HOMO-LUMO gap of xG and its complexes with gold nanoclusters were also analyzed.

Visible-light-driven environmental contaminants control using 2D photocatalytic nanomaterials with an unconfined reaction–diffusion path is advantageous for public health. Here, cost-effective siliceous composite microsheets (FeSiO-MS) combined with two distinct refined α-Fe2O3 nanospecies as photofunctional catalysts were constructed via a one-pot synthesis approach. Through precise control of Fe2+ precursor addition, specially configured α-Fe2O3 nanofibers combined with FeOx cluster-functionalized siliceous microsheets of ∼15 nm gradually evolved from the iron oxide-bearing molecular sieve, endowing a superior light-response characteristic of the formed nanocomposite. The catalytic experiment along with the ESR study demonstrated that the produced FeSiO-MS showed reinforced photo-Fenton reactivity, which was effective for rapid phenol degradation under visible light radiation. Moreover, the phenol removal process was found to be regulated by the specially configured types and concentrations of iron oxides. Notably, the obtained composites exhibited a considerable visible-light-induced bactericidal effect against E. coli. The constructed FeSiO-MS nanocomposites as integrated and eco-friendly photocatalysts exhibit enormous potentials for environmental and hygienic application.

Oleic acid-modified silica mesocomposites as an insoluble antifungal drug cargo matrix with enhanced fungicidal activity.

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