In this work, we present a computational method, based on the Monte Carlo statistical approach, for calculating electron energy emission and yield spectra of metals, such as copper, silver and gold. The calculation of these observables proceeds via the Mott theory with a Dirac-Hartree-Fock spherical potential to deal with the elastic scattering processes, and by using the Ritchie dielectric approach to model the electron inelastic scattering events. In the latter case, the dielectric function, which represents the starting point for the evaluation of the energy loss, is obtained from experimental reflection electron energy loss spectra. The generation of secondary electrons upon ionization of the samples is also implemented in the calculation. A remarkable agreement is obtained between both theoretical and experimental electron emission spectra and yield curves.
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Int J Biol Macromol
January 2025
Chemical Department, Faculty of Science, Damietta University, Damietta 34517, Egypt.
The study investigated the enhancement of stability and efficacy in the removal of bivalent nickel ions (Ni(II)) by utilizing a cerium metal-organic framework (Ce-MOF) encapsulated within a food-grade algal matrix. This composite material is integrated into a dual-layer hydrogel containing chitosan and carboxymethyl cellulose. The enhancement of structural integrity in the final product can be attributed to the cross-linking process with epichlorohydrin, leading to the development of Ce-MOF-FGA/CMC-CS hydrogel beads.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
State Key laboratory of Chemical Safety, College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao 266580, PR China. Electronic address:
Fluorescent probes for in vivo hypochlorous acid (HClO) imaging often face challenges of low selectivity and high cytotoxicity, largely due to poor analyte recognition and water-insoluble aromatic skeletons. To address this, we synthesized fluorescein hydrazide by introducing a spiro-lactam unit into fluorescein, which offers high emission intensity and molar absorption. The five-membered heterocycle in fluorescein hydrazide is selectively disrupted by HClO, enhancing the conjugated system and electron delocalization of the fluorophore, resulting in highly sensitive fluorescence detection of HClO.
View Article and Find Full Text PDFWater Res
January 2025
College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, Shandong, China; Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Qingdao 266237, Shandong, China. Electronic address:
Sulfur-siderite driven autotrophic denitrification (SSAD) has received increasing attention for nutrient removal in constructed wetlands (CWs). Nevertheless, its effectiveness in simultaneous water purification and greenhouse gases (GHGs) reduction remains obscure. In this study, three vertical flow constructed wetlands (VFCWs), filled with quartz sand (CCW), sulfur (S-CW), and sulfur-siderite mixed substrates (SS-CW), were constructed to investigate the underlying mechanisms of SSAD on water purification enhancement and GHGs reduction.
View Article and Find Full Text PDFInorg Chem
January 2025
State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin 130022, P. R. China.
Mn-doped luminescent materials play a significant role in a variety of fields, including modern lighting, displays, and imaging. Mn exhibits a broad and adjustable emission, hinging on the local environment of the crystal field and the interaction of the 3d electrons. However, it is still a challenge to realize the precise control of the emission of Mn ions due to site-prior occupation in a specific lattice.
View Article and Find Full Text PDFChemistry
January 2025
Indian Institute of Technology Madras, Department of Chemistry, Chennai, Chennai, INDIA.
A series of significantly bulky mono- and di-substituted cyclic alkyl-amino carbene (cAAC)- functionalized cyclopentadiene ring (Cp) compounds were synthesized. The functionalization of the Cp ring with cAAC ligands makes them significantly bulkier, while retaining their ligation properties. These compounds display interesting fluorescence properties.
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