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Rapid and Non-Targeted Qualitative and Quantitative Detection of miRNA in Complex Biological Samples Using Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry with a 3-Aminoquinoline and 2',4',6'-Trihydroxyacetophenone Ionic Liquid Matrix.
J Am Soc Mass Spectrom
January 2025
Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310027, China.
A novel ionic liquid MALDI matrix, 3-aminoquinoline/2',4',6'-trihydroxyacetophenone monohydrate (3-AQ/THAP), was developed for the rapid qualitative and quantitative detection of miRNA from biological samples. Compared to the traditional matrix 2,5-dihydroxybenzoic acid (DHB) and previously reported oligonucleotide-specific matrices, such as 3-aminopicolinic acid (3-APA), 3-hydroxypicolinic acid (3-HPA), and 6-aza-2-thiothymine (ATT), the 3-AQ/THAP matrix offers several advantages. It produces fewer alkali metal adduct peaks, exhibits higher sensitivity, and ensures better spot-to-spot repeatability.
View Article and Find Full Text PDFApplications of mass spectrometry imaging in botanical research.
Adv Biotechnol (Singap)
February 2024
State Key Laboratory of Traditional Chinese Medicine/School of Pharmaceutical Sciences, Guangzhou University of Chinese Medicine, Guangzhou, 510006, China.
Mass spectrometry imaging (MSI) serves as a valuable tool enabling researchers to scrutinize various compounds, peptides, and proteins within a sample, providing detailed insights at both elemental and molecular levels. This innovative technology transforms information obtained from a mass spectrometer- encompassing ionic strength, mass-to-charge ratio, and ionized molecule coordinates-within a defined region into a pixel-based model. Consequently, it reconstructs the spatial distribution of ions, allowing for a comprehensive understanding of molecular landscapes.
View Article and Find Full Text PDFA comparative study of ionic pesticide sorption and degradation in contrasting Brazilian soils and the development of a novel 3-Phase Assay to assess sorption reversibility.
Environ Monit Assess
January 2025
Syngenta Ltd, Jealott's Hill International Research Centre, Warfield, Bracknell, RG42 6EY, UK.
Brazilian soils have distinctive characteristics to European and North American soils which are typically used to investigate pesticide fate. This study aimed to compare soil-water partition coefficient (K), reversibility of adsorption and degradation half-life (DT) of 5 pesticides covering a wide range of physico-chemical properties in contrasting Brazilian soils (Argissolo, Gleissolo, Latossolo and Neossolo) and a temperate (UK) alfisol soil, and to study their relationship with soil OM, clay and expandable clay content, CEC and pH. In addition, we used a novel laboratory test to evaluate sorption reversibility, the 3-Phase Assay (3PA).
View Article and Find Full Text PDFMolecular dynamics simulations of the structure and dynamics in mixtures of ionic liquids and alcohols.
Phys Chem Chem Phys
January 2025
Department of Chemistry, Faculty of Nano and Bio Science and Technology, Persian Gulf University, Bushehr 75168, Iran.
Molecular dynamics simulations were conducted on mixtures of ionic liquids (ILs) and alcohols, specifically methanol, ethanol, and 1-propanol. Two different ILs, [Mmim][MeSO] and [Bmim][MeSO], were used with varying alcohol mole fractions to investigate the impact of alkyl chain length of cations, alcohol types, and alcohol concentrations on different structural and dynamic properties. Unique characteristics of the ILs were observed due to the varying polarity of solvents and the creation of diverse local environments surrounding the ILs.
View Article and Find Full Text PDFPropensity of Water Self-Ions at Air(Oil)-Water Interfaces Revealed by Deep Potential Molecular Dynamics with Enhanced Sampling.
Langmuir
January 2025
Center for Combustion Energy, Department of Energy and Power Engineering, and Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China.
The preference of water self-ions (hydronium and hydroxide) toward air/oil-water interfaces is one of the hottest topics in water research due to its importance for understanding properties, phenomena, and reactions of interfaces. In this work, we performed enhanced-sampling molecular dynamics simulations based on state-of-the-art neural network potentials with approximate M06-2X accuracy to investigate the propensity of hydronium and hydroxide ions at air/oil(decane)-water interfaces, which can simultaneously describe well the water autoionization process forming these ions, the recombination of ions, and the ionic distribution along the normal distance to the interface by employing a set of appropriate Voronoi collective variables. A stable ionic double-layer distribution is observed near the air-water interface, while the distribution is different at oil-water interfaces, where hydronium tends to be repelled from the interface into the bulk water, whereas hydroxide, with an interfacial stabilization free energy of -0.
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