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Atomically precise metal nanoclusters (NCs) can be compositionally controlled at the single-atom level, but understanding structure-property correlations is required for tailoring specific optical properties. Here, the impact of Ni atom doping on the optical, structural, and electrochemical properties of atomically precise 1,3-benzene dithiol (BDT) protected Ag 29 NCs is studied. The Ni-doped Ag 29 (NiAg 28 (BDT) 12 ) NCs, are synthesized using a co-reduction method and characterized using electrospray ionization mass spectrometry (ESI MS), ion mobility spectrometry (IMS), and X-ray photoelectron spectroscopy (XPS). Only a single Ni atom doping can be achieved despite changing the precursor concentration. Ni doping in Ag 29 NCs exhibits enhanced thermal stability, and electrocatalytic oxygen evolution reaction (OER) compared to the parent NCs. Density functional theory (DFT) calculations predict the geometry and optical properties of the parent and NiAg 28 (BDT) 12 NCs. DFT is also used to study the systematic single-atom doping effect of metals such as Au, Cu, and Pt into Ag 29 NCs and suggests that with Ni and Pt, the d atomic orbitals contribute to creating superatomic orbitals, which is not seen with other dopants or the parent cluster. The emission mechanism is dominated by a charge transfer from the ligands into the Ag core cluster regardless of the dopant., (© 2024 The Author(s). Small published by Wiley‐VCH GmbH.)

Objectives: To investigate the indirect calorimetric findings in subjects with Metabolic Syndrome (MetS) compared to those without MetS and explore the potential parameters for predicting MetS in susceptible individuals., Methods: Data was collected from a cross-sectional study conducted during the second phase of The Mashhad Stroke and Heart Atherosclerotic Disorder (MASHAD) study, which involved 1,014 participants. The presence of MetS was determined using the National Cholesterol Education Program Adult Treatment Panel III criteria. The study involved taking anthropometric measurements, blood samples, and indirect calorimetry measurements., Results: The study showed significant differences in MetS criteria between the groups with and without MetS. According to the results in men, an increase in resting metabolic rate (RMR)/weight decreased the likelihood of developing MetS. However, an increase in protein oxidation raised the probability of developing MetS. Moreover, an increased RMR/weight or RMR/ body surface area (BSA) decreased the likelihood of developing MetS in women. Based on the logistic regression analysis, men with a higher RMR/Weight had a lower risk of developing MetS. Conversely, an increase in protein oxidation can increase the risk of MetS. However, women with higher RMR/Weight and RMR/BSA had a reduced risk of developing MetS., Conclusions: These findings suggest that variations in RMR and macronutrient oxidations may play a role in the development of MetS. Assessing RMR and macronutrient oxidation through indirect calorimetry could potentially be used as predictive parameters for MetS. Further research is needed to better understand the underlying mechanisms and implications of these findings., Competing Interests: Competing of interestThe authors declare that they have no conflict of interest., (© The Author(s), under exclusive licence to Tehran University of Medical Sciences 2024. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)

Titanium dioxide (TiO 2 ) shows significant potential as a self-cleaning material to inactivate severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and prevent virus transmission. This study provides insights into the impact of UV-A light on the photocatalytic inactivation of adsorbed SARS-CoV-2 virus-like particles (VLPs) on a TiO 2 surface at the molecular and atomic levels. X-ray photoelectron spectroscopy, combined with density functional theory calculations, reveals that spike proteins can adsorb on TiO 2 predominantly via their amine and amide functional groups in their amino acids blocks. We employ atomic force microscopy and grazing-incidence small-angle X-ray scattering (GISAXS) to investigate the molecular-scale morphological changes during the inactivation of VLPs on TiO 2 under light irradiation. Notably, in situ measurements reveal photoinduced morphological changes of VLPs, resulting in increased particle diameters. These results suggest that the denaturation of structural proteins induced by UV irradiation and oxidation of the virus structure through photocatalytic reactions can take place on the TiO 2 surface. The in situ GISAXS measurements under an N 2 atmosphere reveal that the virus morphology remains intact under UV light. This provides evidence that the presence of both oxygen and UV light is necessary to initiate photocatalytic reactions on the surface and subsequently inactivate the adsorbed viruses. The chemical insights into the virus inactivation process obtained in this study contribute significantly to the development of solid materials for the inactivation of enveloped viruses.

This study aimed to enhance solar disinfection (SODIS) by the photo-Fenton process, operated at natural pH, through the re-utilization of fruit wastes. For this purpose, pure organic acids present in fruits and alimentary wastes were tested and compared with synthetic complexing agents. Owing to solar light, complexes between iron and artificial or natural chelators can be regenerated through ligand-to-metal charge transfer (LMCT) during disinfection. The target complexes were photoactive under solar light, and the Fe:Ligand ratios for ex situ prepared iron complexes were assessed, achieving a balance between iron solubilization and competition with bacteria as a target for oxidizing species. In addition, waste extracts containing natural acidic ligands were an excellent raw material for our disinfection enhancement purposes. Indeed, lemon and orange juice or their peel infusions turned out to be more efficient than commercially available organic acids, leading to complete inactivation in less than 1 h by this novel "fruto-Fenton" process, i.e. in the presence of a fruit-derived ligand, Fe(II) and H 2 O 2 . Finally, its application in Lake Leman water and in situ complex generation led to effective bacterial inactivation, even in mildly alkaline surface waters. This work proposes interesting SODIS and fruit-mediated photo-Fenton enhancements for bacterial inactivation in resource-poor contexts and/or under the prism of circular economy., Competing Interests: Declaration of competing interest The authors declare no financial/personal relationships which may be considered as potential competing interests., (Copyright © 2024. Published by Elsevier Ltd.)

Pattern fabrication by self-assembly of diblock copolymers is of significant interest due to the simplicity in fabricating complex structures. In particular, polystyrene- block -poly-4-vinylpyridine (PS- b -P4VP) is a fascinating base material as it forms an ordered micellar structure on silicon surfaces. In this work, silver (Ag) is applied using direct current magnetron sputter deposition and high-power impulse magnetron sputter deposition on an ordered micellar PS- b -P4VP layer. The fabricated hybrid materials are structurally analyzed by field emission scanning electron microscopy, atomic force microscopy, and grazing incidence small angle X-ray scattering. When applying simple aqueous posttreatment, the pattern is stable and reinforced by Ag clusters, making micellar PS- b -P4VP ordered layers ideal candidates for lithography.

A new mesoporous Ag/ZnO@NiFe 2 O 4 nanorod was prepared by a facile, low-cost, and environmentally friendly strategy from a bimetallic Fe 2 Ni-MIL-88 metal organic framework (MOF), as an effective catalyst and peroxymonosulfate (PMS) photo-activator. The structural, morphological, optical, and magnetic properties, as well as the material composition were investigated by XRD, FE-SEM, EDX, HR-TEM, XPS, DRS, PL, EIS, VSM, N 2 adsorption-desorption and ICP-AES analysis. 1.0% w/w loading of Ag nanoparticles on ZnO 0.04 @NiFe 2 O 4 led to the best catalytic activity for PMS activation under UVA in acetaminophen (ACT) degradation. The maximum degradation efficiency for ACT was 100% within 15 min (at pH = 7.0), with a first-order rate constant of 0.368 min -1 . The calculated quantum yield (1.3 × 10 -3 molecule/photon) of the optimum catalyst was 2.05, and 5.63 times higher than its simple constituents, ZnO 0.04 @NiFe 2 O 4 and NiFe 2 O 4 , respectively. Among the various inorganic ions, Cl - and HCO 3 - showed significant inhibition effect in 1.0%w/w Ag/ZnO 0.04 @NiFe 2 O 4 /PMS/UVA system, due to radical quenching effects. Based on scavenger experiments, HO • and SO 4 •- were the dominant reactive species in photocatalytic process coupled with PMS. Due to presence of the Fe 3+ /Fe 2+ , and Ni 2+ /Ni 3+ reaction cycles in the as-made catalyst, the reaction rate of PMS activation was greatly enhanced. Moreover, the formation of a hetero-junction structure with NiFe 2 O 4 and ZnO promoted the charge separation of the photo-generated electron/hole pairs. Finally, the major intermediates produced during the reaction were detected by LC-MS analysis, and a plausible mechanism for the photocatalytic degradation of ACT was proposed and discussed in detail., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In this work, Ag nanoparticles were loaded on ZIF-67 covered by graphene oxide (Ag/ZIF-67@GO), and its catalytic performance was studied for the heterogeneous activation of peroxymonosulfate (PMS) under visible-light. The catalyst surface morphology and structure were analyzed by FT-IR, XRD, XPS, DRS, FE-SEM, EDX, TEM, BET, ICP-AES and TGA analysis. The efficacy of PMS activation by the Ag/ZIF-67@GO under visible light was assessed by phenol degradation and E. coli inactivation. Phenol was completely degraded within 30 min by HO • , SO 4 •- and O 2 •- generated through the photocatalytic PMS activation. In addition, total E. coli inactivation was attained in 15 min that confirmed the highly efficient catalytic activation of PMS by the as-made nanocomposite under visible light. The reaction mechanism was elucidated and the importance of the generated reactive species followed the order of: HO •  > SO 4 •-  > O 2 •-  > h + , implying a radical-pathway dominated process., (Copyright © 2021 Elsevier B.V. All rights reserved.)