Ionized acetates were used as model compounds to describe gas-phase behavior of oxygen containing compounds with respect to their formation of dimers in ion mobility spectrometry (IMS). The ions were created using corona discharge at atmospheric pressure and separated in a drift tube before analysis of the ions by mass spectrometry. At the ambient operational temperature and pressure used in our instrument, all acetates studied formed dimers. Using a homolog series of n-alkyl-acetates, we found that the collision cross section of a dimer was smaller than that of a monomer with the same reduced mass. Our experiments also showed that the reduced mobility of acetate dimers with different functional groups increased in the order n-alkyl
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http://dx.doi.org/10.1016/j.jasms.2008.05.024 DOI Listing Publication Analysis
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J Pharm Anal
November 2024
National Key Laboratory of Chinese Medicine Modernization, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, China.
In this study, 34 deep eutectic solvents (DESs) were successfully prepared for the extraction of proanthocyanidin from Rhodiolae Crenulatae Radix et Rhizomes. The extraction process was optimized using single factor exploration and Box-Behnken design-response surface analysis. The extraction rate was significantly improved when the molar ratio of choline chloride to 1,3-propanediol was 1:3.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2024
Institut für Organische Chemie Technische Universität Bergakademie, Freiberg, Leipziger Str 29 09599 Freiberg/Sachsen Germany.
Crystal growth of 2-(3,4,5-triphen-ylphen-yl)acetic acid () from aceto-nitrile yields a monosolvate, CHO·CHCN, of the space group 1. In the crystal, the title mol-ecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O-H⋯O-bonded mol-ecules of represent the basic supra-molecular entities of the crystal structure.
View Article and Find Full Text PDFChem Asian J
December 2024
Department of Chemistry, Ramakrishna Mission Residential College (Autonomous) Narendrapur, Narendrapur, Kolkata, 700 103, West Bengal, India.
The article reports a hitherto-unknown aromatic proton transfer (APT) to the o-amine function chelated to manganese(II) ion and disintegration of the molecule generating an aryne intermediate. The reaction of (NQ)-NH(AQ) (LH) with manganese(II) acetate in boiling DMF generates [Mn(L)], where the LH ligands undergo disintegration forming manganese(II) complexes of AQ and an 1,4-naphthoquinonyne intermediate based on benzoquinone ring, that has been defined as [NQ-2H] (NQ and AQ abbreviate respectively 1,4-naphthoquinone and 8-aminoquinoline fragments). The fragmentation reaction of LH depends on the metal precursor used, solvent and temperature.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
The many-body expansion, where one computes the total energy of a supersystem as the sum of the dimer, trimer, tetramer, etc., subsystems, provides a convenient approach to compute the lattice energies of molecular crystals. We investigate approximate methods for computing the non-additive three-body contributions to the crystal lattice energy of the polar molecules acetic acid, imidazole, and formamide, comparing to coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] level benchmarks.
View Article and Find Full Text PDFPhytochemistry
November 2024
School of Chinese Materia Medica, School of Medical Technology, Tianjin Key Laboratory of Therapeutic Substance of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, People's Republic of China. Electronic address:
The immune system serves as a role of diseases, such as Parkinson's disease, and acute lung injury. An immunoregulatory activity-directed separation depended on phorbol 12-myristate 13-acetate (PMA) plus ionomycin (Ion)-mediated Jurkat leukemic T cells was used for studying chemical constituents from Inula britannica L. in depth.
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