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Keywords = dibasic ammonium salts

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1 pages, 138 KB  
Correction
Correction: Ke et al. A Comprehensive Investigation into the Crystallology, Molecule, and Quantum Chemistry Properties of Two New Hydrous Long-Chain Dibasic Ammonium Salts CnH2n+8N2O6 (n = 35 and 37). Int. J. Mol. Sci. 2023, 24, 5467
by Zengbo Ke, Xinhui Fan, Youying Di, Fengying Chen, Xi Han, Ke Yang and Bing Li
Int. J. Mol. Sci. 2025, 26(1), 91; https://doi.org/10.3390/ijms26010091 - 26 Dec 2024
Cited by 9 | Viewed by 585
Abstract
The journal’s Editorial Office and Editorial Board are jointly issuing a resolution and removal of the Journal Notice linked to this article [...] Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
12 pages, 2971 KB  
Article
Metabolomic Analysis of Lycoris radiata across Developmental and Dormancy Stages
by Xueru Jiang, Xuying Wei, Hua Cheng, Xin You and Junhuo Cai
Horticulturae 2024, 10(6), 636; https://doi.org/10.3390/horticulturae10060636 - 13 Jun 2024
Cited by 2 | Viewed by 1688
Abstract
The Lycoris radiata (L’ Herit.) Herb. is a perennial bulbous plant characterized by its high ornamental and medicinal value, exhibiting a unique growth rhythm where the flower and leaf do not coexist and a period of summer dormancy. However, its metabolic response to [...] Read more.
The Lycoris radiata (L’ Herit.) Herb. is a perennial bulbous plant characterized by its high ornamental and medicinal value, exhibiting a unique growth rhythm where the flower and leaf do not coexist and a period of summer dormancy. However, its metabolic response to various developmental stages remains unclear. To address this gap, we conducted a non-targeted metabolomic analysis spanning six developmental stages of L. radiata. The results showed that most differentially accumulated metabolites (DAMs) demonstrated enrichment predominantly in carbohydrate and amino acid metabolism pathways, with the former being more active during vegetative growth and the latter during reproductive stages. The proportion of DAMs categorized under “quaternary ammonium salts”, “tricarboxylic acids and derivatives”, “fatty acids and conjugates”, and “pyrimidine nucleotide sugars” was notably higher in comparisons between the flowering and dormancy stages than in other comparative groups. Furthermore, DAMs involved in the KEGG pathways of C5-branched dibasic acid metabolism and lysine biosynthesis were uniquely identified during the transition from Dormancy to Flowering. The proportion of DAMs associated with “linoleic acids and derivatives” and “pyridines and pyridine derivatives” was notably higher in the leafing out versus flowering comparison than in other comparative groups. Furthermore, the glycolysis/gluconeogenesis pathway was uniquely enriched by DAMs during this phase. This study provided an in-depth view of metabolite changes in L. radiata over its annual growth cycle, enriching our understanding of the regulatory mechanisms governing its development, dormancy, and flowering. Full article
(This article belongs to the Special Issue Propagation and Flowering of Ornamental Plants)
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26 pages, 7675 KB  
Article
A Comprehensive Investigation into the Crystallology, Molecule, and Quantum Chemistry Properties of Two New Hydrous Long-Chain Dibasic Ammonium Salts CnH2n+8N2O6 (n = 35 and 37)
by Zengbo Ke, Xinhui Fan, Youying Di, Fengying Chen, Xi Han, Ke Yang and Bing Li
Int. J. Mol. Sci. 2023, 24(6), 5467; https://doi.org/10.3390/ijms24065467 - 13 Mar 2023
Cited by 2 | Viewed by 2957 | Correction
Abstract
Through the salification reaction of carboxylation, successful attachment of the long-chain alkanoic acid to the two ends of 1,3-propanediamine was realized, which enabled the doubling of the long-chain alkanoic acid carbon chain. Hydrous 1,3-propanediamine dihexadecanoate (abbreviated as 3C16) and 1,3-propanediamine diheptadecanoate (abbreviated as [...] Read more.
Through the salification reaction of carboxylation, successful attachment of the long-chain alkanoic acid to the two ends of 1,3-propanediamine was realized, which enabled the doubling of the long-chain alkanoic acid carbon chain. Hydrous 1,3-propanediamine dihexadecanoate (abbreviated as 3C16) and 1,3-propanediamine diheptadecanoate (abbreviated as 3C17) were synthesized afterward, and their crystal structures were characterized by the X-ray single crystal diffraction technique. By analyzing their molecular and crystal structure, their composition, spatial structure, and coordination mode were determined. Two water molecules played important roles in stabilizing the framework of both compounds. Hirshfeld surface analysis revealed the intermolecular interactions between the two molecules. The 3D energy framework map presented the intermolecular interactions more intuitively and digitally, in which dispersion energy plays a dominant role. DFT calculations were performed to analyze the frontier molecular orbitals (HOMO–LUMO). The energy difference between the HOMO–LUMO is 0.2858 eV and 0.2855 eV for 3C16 and 3C17, respectively. DOS diagrams further confirmed the distribution of the frontier molecular orbitals of 3C16 and 3C17. The charge distributions in the compounds were visualized using a molecular electrostatic potential (ESP) surface. ESP maps indicated that the electrophilic sites are localized around the oxygen atom. The crystallographic data and parameters of quantum chemical calculation in this paper will provide data and theoretical support for the development and application of such materials. Full article
(This article belongs to the Topic Theoretical, Quantum and Computational Chemistry)
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14 pages, 4619 KB  
Article
Aqueous Biphasic Systems Comprising Natural Organic Acid-Derived Ionic Liquids
by Maria V. Quental, Matheus M. Pereira, Francisca A. e Silva, João A. P. Coutinho and Mara G. Freire
Separations 2022, 9(2), 46; https://doi.org/10.3390/separations9020046 - 7 Feb 2022
Cited by 5 | Viewed by 3929
Abstract
Despite the progress achieved by aqueous biphasic systems (ABSs) comprising ionic liquids (ILs) in extracting valuable proteins, the quest for bio-based and protein-friendly ILs continues. To address this need, this work uses natural organic acids as precursors in the synthesis of four ILs, [...] Read more.
Despite the progress achieved by aqueous biphasic systems (ABSs) comprising ionic liquids (ILs) in extracting valuable proteins, the quest for bio-based and protein-friendly ILs continues. To address this need, this work uses natural organic acids as precursors in the synthesis of four ILs, namely tetrabutylammonium formate ([N4444][HCOO]), tetrabutylammonium acetate ([N4444][CH3COO]), tetrabutylphosphonium formate ([P4444][HCOO]), and tetrabutylphosphonium acetate ([P4444][CH3COO]). It is shown that ABSs can be prepared using all four organic acid-derived ILs paired with the salts potassium phosphate dibasic (K2HPO4) and tripotassium citrate (C6H5K3O7). According to the ABSs phase diagrams, [P4444]-based ILs outperform their ammonium congeners in their ability to undergo liquid–liquid demixing in the presence of salts due to their lower hydrogen-bond acidity. However, deviations to the Hofmeister series were detected in the salts’ effect, which may be related to the high charge density of the studied IL anions. As a proof of concept for their extraction potential, these ABSs were evaluated in extracting human transferrin, allowing extraction efficiencies of 100% and recovery yields ranging between 86 and 100%. To further disclose the molecular-level mechanisms behind the extraction of human transferrin, molecular docking studies were performed. Overall, the salting-out exerted by the salt is the main mechanism responsible for the complete extraction of human transferrin toward the IL-rich phase, whereas the recovery yield and protein-friendly nature of these systems depend on specific “IL-transferrin” interactions. Full article
(This article belongs to the Special Issue Research on Sustainable Extraction and Purification of Compounds)
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