Using the Yebes 40m and IRAM 30m radiotelescopes, we detected two series of harmonically related lines in space that can be fitted to a symmetric rotor. The lines have been seen towards the cold dense cores TMC-1, L483, L1527, and L1544. High level of theory calculations indicate that the best possible candidate is the acetyl cation, CHCO, which is the most stable product resulting from the protonation of ketene. We have produced this species in the laboratory and observed its rotational transitions = 10 up to = 27. Hence, we report the discovery of CHCO in space based on our observations, theoretical calculations, and laboratory experiments. The derived rotational and distortion constants allow us to predict the spectrum of CHCO with high accuracy up to 500 GHz. We derive an abundance ratio (HCCO)/(CHCO)~44. The high abundance of the protonated form of HCCO is due to the high proton affinity of the neutral species. The other isomer, HCCOH, is found to be 178.9 kJ mol above CHCO. The observed intensity ratio between the =0 and =1 lines, ~2.2, strongly suggests that the and symmetry states have suffered interconversion processes due to collisions with H and/or H, or during their formation through the reaction of with HCCO.
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http://dx.doi.org/10.1051/0004-6361/202040076 | DOI Listing |
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December 2024
Department of Chemistry, University of Oslo, NO-0315 Oslo, Norway.
Despite major efforts toward its eradication, cholera remains a major health threat and economic burden in many low- and middle-income countries. Between outbreaks, the bacterium responsible for the disease, , survives in aquatic environmental reservoirs, where it commonly forms biofilms, for example, on zooplankton. -acetyl glucosamine-binding protein A (GbpA) is an adhesin that binds to the chitinaceous surface of zooplankton and breaks its dense crystalline packing thanks to its lytic polysaccharide monooxygenase (LPMO) activity, which provides with nutrients.
View Article and Find Full Text PDFMolecules
December 2024
DNA Damage Laboratory of the Food Science Department, Faculty of Pharmacy, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, Poland.
Each cell in the human body is continually exposed to harmful external and internal factors. During evolution, cells have developed various defence systems, divided into enzymatic and non-enzymatic types, to which low-weight molecule antioxidants belong. In this article, the ionisation potential and electron affinity, as well as global reactivity descriptors of Vitamin C, Melatonin, Uric Acids, and N-acetyl-L-cysteine, were theoretically investigated at the MP-2/aug-cc-pVTZ level of theory in the condensed (aqueous) phase.
View Article and Find Full Text PDFMetabolites
December 2024
Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Institutskaya St., 3, Pushchino 142290, Russia.
Background: Acetyl phosphate (AcP) is a microbial intermediate involved in the central bacterial metabolism. In bacteria, it also functions as a donor of acetyl and phosphoryl groups in the nonenzymatic protein acetylation and signal transduction. In host, AcP was detected as an intermediate of the pyruvate dehydrogenase complex, and its appearance in the blood was considered as an indication of mitochondrial breakdown.
View Article and Find Full Text PDFBiomacromolecules
January 2025
Department of Chemistry, University of Kentucky, Lexington, Kentucky 40506, United States.
Polyethylenimine (PEI) is a widely used cationic polymer for nonviral gene delivery, often modified to enhance transfection efficiency and reduce cytotoxicity. This study investigates how acetylation, succinylation (acPEI and zPEI), and pH influence the internal DNA packaging of polyplexes. Both modifications alter physicochemical properties, leading to complexes that decondense more readily with increasing modification.
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