We present a microscopic dynamical study of the reactions involving three 4He clusters. We show that the much discussed triple-α linear chain configuration of 12C is formed with a certain lifetime and subsequently makes a transition to a triangular configuration of 12C and then to a configuration near the ground state. Time-dependent Hartree-Fock theory coupled with a density constraint is used to study the properties of these configurations.
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http://dx.doi.org/10.1103/PhysRevLett.104.212503 | DOI Listing |
Pest Manag Sci
November 2024
Laboratory of Pesticidal Design and Synthesis, Department of Plant Protection, College of Horticulture and Plant Protection, Henan University of Science and Technology, Luoyang, China.
Background: The natural product paeonol is a rich and sustainable natural bioresource, and its derivatives have various unique biological efficacy. As is well known, Schiff bases are a class of organic compounds with a wide range of biological activities, including anti-fungal, insecticidal, anti-viral, and nematicidal.
Results: To discover biorational natural product-based pesticides, nine intermediates (2-10), 12 sulfonylhydrazones (11a-11c, 12a-12c, 13a-13c, and 14a-14c) and 20 benzylidene hydrazones (18a-18r, 19a, and 20a) were synthesized by structural modification of paeonol, and their structures were characterized by proton nuclear magnetic resonance (H NMR), carbon-13 (C) NMR, and high-resolution mass spectrometry (HRMS).
MANIO is an efficient p53-activating anticancer agent with remarkable selectivity to the p53 pathway and promising antitumor activity against colorectal cancer (CRC). Herein, a library of novel MANIO derivatives, including hydroxymethyl- and bis(hydroxymethyl)-1,3-pyrrolo[1,2-]thiazoles, was synthesized by rational structural modulation. The antiproliferative activity of twenty derivatives was evaluated in a panel of human CRC cells with different p53 status.
View Article and Find Full Text PDFJ Phys Chem A
January 2024
Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1320, United States.
Potential energy curves and dipole moment functions constructed using high-accuracy methods allow for an in-depth examination of the electronic structure of diatomic molecules. computations serve as a valuable complement to experimental data, offering insights into the nature of short-lived molecules such as those encountered within the interstellar medium (ISM). While laboratory experiments provide critical groundwork, the ISM's conditions often permit longer lifetimes for lower stability molecules, enabling unique observations.
View Article and Find Full Text PDFAnal Bioanal Chem
May 2024
Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir Prelog Weg 1, 8093, Zurich, Switzerland.
Recently, spICP-MS analyses of microplastics have demonstrated that the detection capabilities of ICP-MS are sufficient to determine the size and composition of such materials. However, solution nebulization or microdroplet generation limits the sizes of droplets, microparticles, or cells that can be efficiently introduced into commonly used horizontal ICP-MS configurations. Therefore, we introduced the development of a downward-pointing ICP coupled to a time-of-flight mass spectrometer (ICP-TOFMS), which enables quantitative transport of large microdroplets (diameters up to 90 µm) into the ICP.
View Article and Find Full Text PDFMolecules
October 2023
Hangzhou Yanqu Information Technology Co., Ltd., Hangzhou 310003, China.
Ginsenoside Rg5, a relatively uncommon secondary ginsenoside, exhibits notable pharmacological activity and is commonly hypothesized to originate from the dehydration of Rg3. In this work, we compared different conversion pathways using Rb1, -Rg3 and -Rg3 as the raw material under simple acid catalysis. Interestingly, the results indicate that the conversion follows this reaction activity order Rb1 > -Rg3 > -Rg3, which is contrary to the common understanding of Rg5 obtained from Rg3 by dehydration.
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