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This comment discussed the calculation of equilibrium constant and thermodynamic parameters in the paper of Kayalvizhi et al. (2022). This paper is of high academic value, however, there are some calculation and quotation errrors. The equilibrium constant K evolved from the distribution coefficient has a dimension of L/g, which is not the standard equilibrium constant, therefore, it cannot be used to calculate the thermodynamic parameters. This comment firstly analyzed the calculation errors made by Kayalvizhi et al. (2022), then established the relationship between distribution coefficient and standard equilibirum constant, and recalculated the thermodynamic parameters by using the correct distribution coefficient equation. As a research paper, authors not only provide the originality and novelty, but also give its correct results. This comment can bring to the attention of readers, authors, editors and reviewers about the thermodynamic calculation. At the same time, it is helpful to avoid the misuse and propagation of the incorrect equation in the area of adsorption thermodynamics.
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http://dx.doi.org/10.1016/j.envres.2022.112958 | DOI Listing |
J Phys Chem A
September 2025
MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, P. R. China.
Understanding the active sites of copper (Cu)-based catalysts toward CO is a prerequisite for improving their rational design. The reactivity of copper oxide cluster anions CuO ( = 3-9) and bare copper cluster anions Cu toward CO has been investigated at room temperature by employing mass spectrometry combined with density functional theory (DFT) calculations. Only adsorption products are observed for the reaction of CuO with CO.
View Article and Find Full Text PDFSci Total Environ
September 2025
Laboratoire Physico-Chimie des Matériaux, Substances Naturelles et Environnement, Faculty of Sciences and Techniques, Abdelmalek Essaâdi University, Tangier, Morocco.
Escalating concentrations of norfloxacin (NFX) in surface and wastewaters demand sustainable remediation strategies. In this study, dual-functional hydrochars were synthesized from argan nut shells (ArNS) via hydrothermal carbonization (HTC), with process conditions optimized by varying temperature (150-200 °C) and residence time (2-6 h). Among the materials, H1:5@150-4-prepared at 150 °C for 4 h with a biomass-to-water ratio of 1:5-exhibited the best performance, achieving a monolayer NFX adsorption capacity of 27.
View Article and Find Full Text PDFACS Macro Lett
September 2025
Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States.
Introducing dynamic covalent chemistries into polymer networks allows access to complex linear viscoelasticity, owing to the reversible nature of the dynamic bonds. While this macroscopic mechanical behavior is influenced by the dynamic exchange of these chemistries, connecting the microscopic dynamics to the bulk properties is hindered by the time scale conventional techniques can observe. Here, light scattering passive microrheology is applied to probe short-time dynamics of dynamic covalent networks that consist of telechelic benzalcyanoacetate (BCA) Michael acceptors and thiol-functionalized cross-linkers.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2025
Department of Physics and Chemistry, DGIST, Daegu, 42988, Republic of Korea.
Investigation of the fundamental microscopic processes occurring in organic reactions is essential for optimising both organocatalysts and synthetic strategies. In this study, single-molecule fluorescence microscopy was employed to study the Diels-Alder reaction catalysed by a first-generation MacMillan catalyst, providing direct insights into its kinetic dynamics. This reaction proceeds via a series of reversible processes under equilibrium conditions (S ⇄ IM ⇄ IM → P, IM and IM: N,O-acetal and iminium ion intermediates, respectively).
View Article and Find Full Text PDFArch Pharm (Weinheim)
September 2025
College of Chemistry, Pingyuan Laboratory (Zhengzhou University), Zhengzhou University, Zhengzhou, China.
The SARS-CoV-2 pandemic has spurred global efforts to develop therapeutic approaches. The main protease (Mpro) of SARS-CoV-2 is crucial for viral replication and a key target for therapeutic development. In this study, 22 thiosemicarbazone derivatives were synthesized.
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