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Modeling the ionization mechanism of amorphous solid particles without an external energy source coupled to mass spectrometry.
Phys Chem Chem Phys
November 2024
Department of Chemistry, University of California, Irvine, CA, 92697-2025, USA.
Ionization desorption of charged analytes from the surface of solid amorphous glutaric acid particles, without the assistance of an external energy source, has been shown to be a promising method that can be coupled to mass spectrometry. We conduct mechanistic studies of the later stages of this ionization process using atomistic molecular dynamics. Our analysis focuses on the hydrogen bonding, diffusion, and ion desorption from nano-aggregates of glutaric acid.
View Article and Find Full Text PDFRecovery of Low-Concentration Tungsten from Acidic Solution Using D318 Macroporous Resin.
Molecules
October 2024
College of Resource and Environment Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China.
Tungsten is a crucial strategic metal that plays a significant role in various fields, such as the defense industry, fine chemicals, and the preparation of new materials. During the practice of numerous tungsten smelting processes, a large amount of acidic wastewater containing low concentrations of WO is generated. The adsorption method, known for its simplicity, effectiveness, and ease of operation, represents the most promising approach for tungsten recovery and is vital for the sustainable development of the tungsten industry.
View Article and Find Full Text PDFUnraveling the catalytic performance of RuO(1 1 0) for highly-selective ethylene production from methane at low temperature: Insights from first-principles and microkinetic simulations.
J Colloid Interface Sci
January 2025
Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan. Electronic address:
Despite significant progress in low-temperature methane (CH) activation, commercial viability, specifically obtaining high yields of C/C products, remains a challenge. High desorption energy (>2 eV) and overoxidation of the target products are key limitations in CH utilization. Herein, we employ first-principles density functional theory (DFT) and microkinetics simulations to investigate the CH activation and the feasibility of its conversion to ethylene (CH) on the RuO (1 1 0) surface.
View Article and Find Full Text PDFElectrochemical behaviour of poly(amidoamine) dendrimers at micropipette-based liquid/liquid micro-interfaces.
Talanta
December 2024
School of Molecular and Life Sciences, Curtin University, GPO Box U1987, Perth, WA 6845, Australia. Electronic address:
Dendrimers are macromolecules with well-defined three-dimensional structures, sizes and surface charges. In this work, four generations of poly(amidoamine) (PAMAM) dendrimers were investigated at the micro-interface between two immiscible electrolyte solutions (μITIES) to understand their electrochemical responses as simple models of ionised macromolecules. Cyclic voltammetry (CV) across a range of aqueous phase pH revealed that all four generations (G0-G3) presented diffusion-controlled ion-transfer from aqueous to organic phase, while the reverse transfers from organic to aqueous phase varied with both pH and the dendrimer generation.
View Article and Find Full Text PDFCharacterization of cigarette smokeomics by in situ solid-phase microextraction and confined-space direct analysis in real time mass spectrometry.
Talanta
December 2024
Jiangsu Collaborative Innovation Center of Biomedical Functional Materials, Jiangsu Key Laboratory of Biomedical Materials, School of Chemistry and Materials Science, Nanjing Normal University, Nanjing, 210023, China; Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1, Canada. Electronic address:
Characterization of chemical composition in cigarette smoke is essential for establishing smoke-related exposure estimates. Currently used methods require complex sample preparation with limited capability for obtaining accurate chemical information. We have developed an in situ solid-phase microextraction (SPME) method for online processing of smoke aerosols and directly coupling the SPME probes with confined-space direct analysis in real time (cDART) ion source for high-resolution mass spectrometry (MS) analysis.
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