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Characterization of an Unexpected μ Adsorption of Molecular Oxygen on Ag(100) with Low-Temperature STM.
J Phys Chem C Nanomater Interfaces
January 2025
Center for Quantum Nanoscience, Institute for Basic Science, Seoul 03760, South Korea.
Precise description of the interaction between molecular oxygen and metal surfaces is one of the most challenging topics in quantum chemistry. In this work, we use low-temperature scanning tunneling microscopy (STM) to identify and characterize an adsorption state of molecular oxygen that coordinates to three Ag atoms (μ) on Ag(100). Surprisingly, μ-O cannot be identified as a stable configuration with generalized gradient approximation (GGA)-level density functional theory (DFT) calculations.
View Article and Find Full Text PDFAn Unexpected Activity of a Minor Cannabinoid: Cannabicyclol (CBL) Is a Potent Positive Allosteric Modulator of Serotonin 5-HT Receptor.
J Nat Prod
January 2025
Charlotte's Web, 700 Tech Court, Louisville, Colorado 80027, United States.
Cannabicyclol ((±)-CBL), a minor phytocannabinoid, is largely unexplored, with its biological activity previously undocumented. We studied its conversion from cannabichromene (CBC) using various acidic catalysts. Montmorillonite (K30) in chloroform at room temperature had the highest yield (60%) with minimal byproducts.
View Article and Find Full Text PDFUntargeted NMR Study of Metabolic Changes in Processing Tomato Treated with Under Open-Field Conditions and Exposed to Heatwave Temperatures.
Molecules
December 2024
Institute for Biological Systems, Italian National Research Council, Monterotondo, 00015 Rome, Italy.
Rising temperatures due to climate change may affect the quality of open-field cultivated processing tomatoes by altering the nutrient content. Bioinoculants are growing in popularity as a nature-based strategy to mitigate these environmental stresses. Untargeted quantitative NMR spectroscopy was leveraged to characterize the metabolome of tomato fruits exposed to abiotic stress during the year 2022, which was marked by unexpected high temperatures and low rainfall compared to the year 2021 with average conditions.
View Article and Find Full Text PDFBinding the Power of Cycloaddition and Cross-Coupling in a Single Mechanism: An Unexpected Bending Journey to Radical Chemistry of Butadiynyl with Conjugated Dienes.
J Phys Chem Lett
January 2025
Department of Chemistry, University of Hawai'i at Ma̅noa, Honolulu, Hawaii 96822, United States.
What if an experiment could combine the power of cycloaddition and cross-coupling with the formation of an aromatic molecule in a single collision? Crossed molecular beam experiments augmented with electronic structure and statistical calculations provided compelling evidence on a novel radical route involving 1,3-butadiynyl (HCCCC; X∑) radicals synthesizing (substituted) arylacetylenes in the gas phase upon reactions with 1,3-butadiene (CHCHCHCH; XA) and 2-methyl-1,3-butadiene (isoprene; CHC(CH)CHCH; XA'). This elegant mechanism merges two previously disconnected concepts of cross-coupling and cycloaddition-aromatization in a single collision event via the formation of two new C(sp)-C(sp) bonds and bending the 180° moiety of the linear 1,3-butadiynyl radical out of the ordinary by 60° to 120°. In addition to its importance to fundamental organic chemistry, this unconventional mechanism links two previously separated routes of gas-phase molecular mass growth processes of polyacetylenes and polycyclic aromatic hydrocarbons (PAHs), respectively, in low-temperature environments such as in cold molecular clouds like the Taurus Molecular Cloud (TMC-1) and in hydrocarbon-rich atmospheres of planets and their moons such as Titan, which revises the established understanding of low-temperature molecular mass growth processes in the Universe.
View Article and Find Full Text PDFCO Cryo-sorption as a Surface-sensitive Spectroscopic Probe of the Active Site Density of Single-atom Catalysts.
Angew Chem Int Ed Engl
January 2025
Korea University, Chemistry, 145 Anam-ro, 02841, Seoul, KOREA, REPUBLIC OF.
Quantifying the number of active sites is a crucial aspect in the performance evaluation of single metal-atom electrocatalysts. A possible realization is using adsorbing gas molecules that selectively bind to the single-atom transition metal and then probing their surface density using spectroscopic tools. Herein, using in situ X-ray photoelectron (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy, we detect adsorbed CO gas molecules on a FeNC oxygen reduction single atom catalyst.
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