Valve metal oxide nanostructures such as TiO2, Ta2O5, Nb2O5, ZrO2, and HfO2 are emerging as versatile biomedical platforms due to their tunable surface properties, exceptional stability, and inherent biocompatibility. This review highlights their synthesis, physicochemical properties, and biological interactions, addressing their roles in advanced ...
Nina Kummer +11 more
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Transition metal-induced excess electron localization driving the giant first hyperpolarizability in alkaline earthides: a DFT and TD-DFT study. [PDF]
Hussain J +5 more
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ABSTRACT The current study aimed to quantify the antimicrobials amoxicillin (AMX), cefazolin (CFZ), chloramphenicol (CHL), metronidazole (MTZ), and sulfamethoxazole (SX) in effluents and surface water of an important Cerrado river, calculate their half‐lives, and analyze their ecotoxicity following single and combined exposures.
Náthala Maria Simão +12 more
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Donor-acceptor dichotomy in novel Schiff bases: comprehensive spectroscopic and DFT investigation of intramolecular hydrogen bonding and charge-transfer properties. [PDF]
El Batouti M, El-Mossalamy EH, Elewa MM.
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Complex Chemistry of a Chiral Terpyridine Ligand Based on (1R)‐(+)‐Camphor
From (1R)‐(+)‐camphor, a chiral terpyridine ligand is accessible in a few steps that coordinates to divalent metal ions of the first and second transition metal row. From structural characterization, the steric repulsion of the two equatorial methyl groups of the tetrahydromethanoquinoline units becomes evident, which causes cyclometalation of the ...
Julia Ehrhard +2 more
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Synthesis, crystal structure at 100 K, Hirshfeld surface analysis, DFT calculations, antioxidant evaluation and molecular docking study of N,N'-diformohydrazide. [PDF]
Bouhraoua A +9 more
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The isolation and solid‐state structures of the two disulfate‐containing pnictogenates [SeCl3][Pn(S2O7)2] (Pn = Sb, Bi), as well as the mixed‐anionic As2[S2O7]2[S3O10] are presented. The former two consist of complex ∞1{[Pn(S2O7)1/1t(S2O7)2/2e]‐}$$ {\infty }^{1}\left\{{\left[\mathrm{Pn}{\left({\mathrm{S}}_{2}{\mathrm{O}}_{7}\right)}_{1/1}^{\mathrm{t}}{\
Jan Langwald +5 more
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Interplay between Inter- and Intramolecular Halogen-/Chalcogen-Bonding in Two-Molecule Aggregates Featuring Te<sup>II</sup>···I Secondary-Bonding Interactions and in Their Congeners. [PDF]
Gomila RM, Frontera A, Tiekink ERT.
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graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]
Sil S, Maskeri MA, Scheidt KA.
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ABSTRACT Aim To investigate international evidence on home visits and parenting interventions delivered by nurses and midwives and to identify core components, such as intervention content, programme characteristics, contextual factors and implementation elements shared by effective interventions. Design Scoping Review.
Outi Savolainen +2 more
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