In the preparation of the title hydrated salt, C14H13N2 (+)·C10H5O8 (-)·H2O, a proton has been transfered to the 2,9-dimethyl-1,10-phenanthrolinium cation, forming a 2,4,5-tri-carb-oxy-benzoate anion. In the anion, the mean planes of the protonated carboxyl-ate groups form dihedral angles of 11.0 (5), 4.4 (5) and 80.3 (4)° with the benzene ring to which they are attached. The mean plane of the deprotonated carboxyl-ate group forms a dihedral angle of 10.6 (5)° with the benzene ring. In the crystal, the anions are involved in carb-oxy-lic acid O-H⋯Ocarbox-yl hydrogen bonds, generating a two-dimensional network parallel to (001) containing R 4 (4)(28) and R 4 (4)(32) motifs. The 2,9-dimethyl-1,10-phenanthrolinium cations and water mol-ecules reside between the anion layers and are connected to the anions via N-H⋯Owater and Owater-H⋯Ocarbox-yl hydrogen bonds. An intra-molecular O-H⋯O hydrogen bond is also observed in the anion.
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http://dx.doi.org/10.1107/S1600536813030857 | DOI Listing |
Biochemistry
January 2025
Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.
CYP105A1 exhibits monooxygenase activity to a wide variety of structurally different substrates with regio- and stereospecificity, making its application range broad. Our previous studies have shown that CYP105A1 wild type and its variants metabolize 12 types of nonsteroidal anti-inflammatory drugs (NSAIDs). In particular, the R84A variant exhibited a high activity against many NSAIDs.
View Article and Find Full Text PDFSmall
January 2025
The Department of Medical Imaging, The Affiliated Guangdong Second Provincial General Hospital of Jinan University, Xingangzhong Road 466, Guangzhou, 518037, P. R. China.
The self-assembly of hydrophobic organic phototherapeutic agents (OPTAs) with expansive planar structures into nanoparticles (NPs) represents a pivotal strategy to bolster their biocompatibility. However, the tight molecular packing within these NPs significantly influences the generation of reactive oxygen species (ROS) and the photothermal conversion efficiency (PCE), posing a substantial hurdle to elevating the efficacy of photodynamic therapy (PDT) and photothermal therapy (PTT) for such NPs. In this article, three OPTAs by donor engineering are synthesized.
View Article and Find Full Text PDFNat Commun
December 2024
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China.
Lipid nanoparticles (LNPs) have proven effective in mRNA delivery, as evidenced by COVID-19 vaccines. Its key ingredient, ionizable lipids, is traditionally optimized by inefficient and costly experimental screening. This study leverages artificial intelligence (AI) and virtual screening to facilitate the rational design of ionizable lipids by predicting two key properties of LNPs, apparent pKa and mRNA delivery efficiency.
View Article and Find Full Text PDFEnviron Sci Technol
December 2024
State Ecology and Environment Scientific Observation and Research Station for the Yangtze River Delta at Dianshan Lake, Shanghai Environmental Monitoring Center, Shanghai 200030, China.
Biomass burning is an important source of brown carbon (BrC) aerosols, which influence climate by affecting the Earth's radiative balance. However, the transformation pathways of BrC chromophores, especially in the presence of photochemically active species, such as nitrate, are not well understood. In this study, the nitrate-mediated aqueous-phase photooxidation of three typical BrC chromophores from biomass burning was investigated, including 4-nitrocatechol, 3-nitrosalicylic acid, and 3,4-dinitrophenol.
View Article and Find Full Text PDFMethods Protoc
December 2024
Department of Organic and Medicinal Chemistry, Faculty of Pharmacy, University of Pécs, Honvéd Street 1, H-7624 Pécs, Hungary.
An electrochemical investigation of 1,2- and 1,4-dihydroxybenzenes was carried out with platinum macro- and microelectrodes using square wave and cyclic voltammetry techniques. Furthermore, the effect of the two solvents-acetic acid and ethyl acetate-was compared. When using square wave voltammetry, signals only appeared at lower frequencies and only when the supporting electrolyte was in excess, as expected due to the relatively low permittivity of the used solvents.
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