We report a series of calculations to elucidate one possible mechanism of SO chemisorption in amino acid-based ionic liquids. Such systems have been successfully exploited as CO absorbents and, since SO is also a by-product of fossil fuels' combustion, their ability in capturing SO has been assessed by recent experiments. This work is exclusively focused on evaluating the efficiency of the chemical trapping of SO by analyzing its reaction with the amino group of the amino acid. We have found that, overall, SO is less reactive than CO, and that the specific amino acid side chain (either acid or basic) does not play a relevant role. We noticed that bimolecular absorption processes are quite unlikely to take place, a notable difference with CO. The barriers along the reaction paths are found to be non-negligible, around 7-11 kcal/mol, and the thermodynamic of the reaction appears, from our models, unfavorable.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182334 | PMC |
| http://dx.doi.org/10.3390/molecules27113604 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Facile and Versatile Mechanochemical Synthesis of Indigoid Photoswitches.
ChemSusChem
January 2025
Polish Academy of Sciences, Institute of Organic Chemistry, Kasprzaka 44/52, 01-224, Warsaw, POLAND.
We demonstrate the application of mechanochemistry in the synthesis of indolone-based photoswitches (hemiindigos, hemithioindigos, and oxindoles) via Knoevenagel condensation reactions. Utilizing ball-milling and an organic base (piperidine) acting as catalyst and solvent for liquid assisted grinding (LAG) conditions, we achieve rapid, solvent-free transformations, obtaining a set of known and previously unreported photoswitches, including highly functional amino acid-based photoswitches, multichromophoric derivatives and photoswitchable cavitands based on resorcin[4]arenes. The reaction under mechanochemical conditions gives moderate-to-high yields and is highly stereoselective leading to Z-isomers of hemiindigos and hemithioindigos and E-isomers of oxindoles.
View Article and Find Full Text PDFPlasma metabolome reveals altered oxidative stress, inflammation, and amino acid metabolism in dogs with idiopathic epilepsy.
Epilepsia
January 2025
Equine and Companion Animal Nutrition, Department of Morphology, Imaging, Orthopedics, Rehabilitation, and Nutrition, Faculty of Veterinary Medicine, Ghent University, Ghent, Belgium.
Objective: Idiopathic epilepsy (IE) is the most common chronic neurological disease in dogs and an established natural animal model for human epilepsy types with genetic and unknown etiology. However, the metabolic pathways underlying IE remain largely unknown.
Methods: Plasma samples of healthy dogs (n = 39) and dogs with IE (n = 49) were metabolically profiled (n = 121 known target metabolites) and fingerprinted (n = 1825 untargeted features) using liquid chromatography coupled to mass spectrometry.
Simultaneous Profiling of Multiple Phosphorylated Metabolites in Typical Biological Matrices via Ion-Pair Reversed-Phase Ultrahigh-Performance Liquid Chromatography and Mass Spectrometry.
Anal Chem
January 2025
State Key Laboratory of Genetic Engineering, School of Life Sciences, Human Phenome Institute, Zhangjiang Fudan International Innovation Center, Metabonomics and Systems Biology Laboratory at Shanghai International Centre for Molecular Phenomics, Zhongshan Hospital, Fudan University, Shanghai 200032, China.
Simultaneous analysis of multiple phosphorylated metabolites (phosphorylated metabolome) in biological samples is vital to reveal their physiological and pathophysiological functions, which is extremely challenging due to their low abundance in some biological matrices, high hydrophilicity, and poor chromatographic behavior. Here, we developed a new method with ion-pair reversed-phase ultrahigh-performance liquid chromatography and mass spectrometry using BEH C18 columns modified with hybrid surface technology. This method demonstrated good performances for various phosphorylated metabolites, including phosphorylated sugars and amino acids, nucleotides, NAD-based cofactors, and acyl-CoAs in a single run using standard LC systems.
View Article and Find Full Text PDFSynthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated BH.
Chem Commun (Camb)
January 2025
School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Materials, Henan Normal University, Xinxiang, Henan 453007, China.
A series of N-Het·BH and AAE·BH complexes were prepared in moderate to high yields and the single-crystal structures of products 3, 31, 34, and 59 were determined. The N-Het·BH and AAE·BH complexes possess high stability, endowing these products with potential applications in luminescent and boron-containing drugs. The optical properties of the representative products have been preliminarily studied.
View Article and Find Full Text PDFSafe Production of Rice ( L.) in Arsenic-Contaminated Soil: a Remedial Strategy using Micro-Nanostructured Bone Biochar.
Environ Sci Technol
January 2025
Stockbridge School of Agriculture, University of Massachusetts, Amherst, Massachusetts 01003, United States.
This study investigated the effects of fine-sized pork bone biochar particles on remediating As-contaminated soil and alleviating associated phytotoxicity to rice in 50-day short-term and 120-day full-life-cycle pot experiments. The addition of micro-nanostructured pork bone biochar (BC) pyrolyzed at 400 and 600 °C (BC400 and BC600) significantly increased the As-treated shoot and root fresh weight by 24.4-77.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!