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Carboxylic Acid - Astrophysics Data System

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Last Updated: 10 September 2022

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A novel copper (II) complex containing pyrimidine-4-carboxylic acid: Synthesis, crystal structure, DFT studies, and molecular docking

Through a combination of single-crystal XRD, Ultraviolet-Visible, and Fourier Transform Infrared Spectroscopy, a new Cu complex of pyrimidine-4-carboxylic acid was synthesized and characterized. Around the Cu complex, the Cu complex implements six-coordinated, distorted octahedral geometry. Using the Density Functional Theory approach, the copper compound's ground state geometry was optimized, resulting in unrestricted hybrid density functional B3LYP. The Cu complex and similar molecules' vibrational spectra were compared and compared to calculated results obtained by the DFT/UB3LYP/6-31G method. The experimental UV-Vis absorption spectrum was compared to that obtained with time-dependent -DFT. In addition, a molecular docking analysis was also conducted to demonstrate interactions between the B-DNA and the Cu complex. CCDC's 12 Union Road, Cambridge, CB12 010 033, United Kingdom, fax: +44 1223 366 033, or www. ccdc. com. uk.

Source link: https://ui.adsabs.harvard.edu/abs/2022JMoSt126533390V/abstract


Derivatives of 2-Methyl Tetrahydrofuran-n-Carboxylic Acids Inhibiting Novel HA3 Subtype of Influenza A Virus Hemagglutinin

The HA3 influenza virus was first identified in 2011 and then released in January 2021. As per the WHO's survey, H3N2 has the potential of causing a pandemic, so an H3N2 inhibitor should be manufactured. In humans, the hemagglutininin derivatives have typical 18 subtypes. We therefore developed the phylogenetic tree for investigating the similarity sequence between 18 subtypes and the sequence of similarity in the study, which was also compared to H3N2. In the present work, 2-methyl tetrahydrofuran-n-carboxylic acids derivatives show the inhibitory activity with H3N2 in stable configurations.

Source link: https://ui.adsabs.harvard.edu/abs/2022JCBC...21..783S/abstract


Iron-catalyzed decarbonylative borylation enables the one-pot diversification of (Hetero)Aryl and alkyl carboxylic acids

Carboxylic acids are inexpensive, abundant, and environmentally friendly, and are often used as partners in cross-coupling reactions. Transition-metal-catalyzed carboxylic acid transformations are often obtained at extreme temperatures, significantly limiting their availability. Here, iron-catalyzed decarbonylation of aryl and alkyl carboxylic acids has been demonstrated, delivering the desired borylated products with high effectiveness.

Source link: https://ui.adsabs.harvard.edu/abs/2022CRPS....300995W/abstract


Two uranyl-organic frameworks based on pyridine carboxylic acid and their electrochemistry properties study

Two new 1D uranyl coordination polymers []Cl and [ based on pyridine acid] are synthesized using the hydrothermal method in this paper. Both compound exhibit good luminescence characteristics, and the uranium center exhibits the same pentagonal bipyramid coordination geometry among the compounds.

Source link: https://ui.adsabs.harvard.edu/abs/2022JSSCh.31423378C/abstract

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions