In the title compound, C14H9F3N2, the mean planes of the benzimidazole ring system and the tri-fluoro-methyl-substituted benzene ring form a dihedral angle of 30.1 (1)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into chains along [010]. Weak C-H⋯F hydrogen bonds and a weak C-H⋯π inter-action connect the chains into a two-dimensional network parallel to (001).
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http://dx.doi.org/10.1107/S1600536814012963 | DOI Listing |
Phys Chem Chem Phys
January 2025
School of Chemistry and Molecular Biosciences, University of Queensland, St Lucia QLD 4072, Australia.
Steroids are organic compounds found in all forms of biological life. Besides their structural roles in cell membranes, steroids act as signalling molecules in various physiological processes and are used to treat inflammatory conditions. It has been hypothesised that in addition to their well-characterised genomic and non-genomic pathways, steroids exert their biological or pharmacological activities an indirect, nonreceptor-mediated membrane mechanism caused by steroid-induced changes to the physicochemical properties of cell membranes.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Institute of Science and Technology, Federal University of São Paulo, 12247-014, São José dos Campos, São Paulo, Brazil.
This study investigates the structural and dynamic properties of ternary mixtures composed of NaPF, ethylene carbonate (EC), and the ionic liquid choline glycine (ChGly), with a focus on their potential as electrolytes for supercapacitors. The combination of NaPF-EC, known for its high ionic conductivity, with the biodegradable and environmentally friendly ChGly offers a promising approach to enhancing electrolyte performance. Through molecular simulations, we analyze how the inclusion of small concentrations of ChGly affects key properties such as density, cohesive energy, and ion mobility.
View Article and Find Full Text PDFNatl Sci Rev
January 2025
CAS Key Laboratory of Organic Solids, Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
In the face of advancements in microrobotics, intelligent control and precision medicine, artificial muscle actuation systems must meet demands for precise control, high stability, environmental adaptability and high integration miniaturization. Carbon materials, being lightweight, strong and highly conductive and flexible, show great potential for artificial muscles. Inspired by the butterfly's proboscis, we have developed a carbon-based artificial muscle, hydrogen-substituted graphdiyne muscle (HsGDY-M), fabricated efficiently using an emerging hydrogen-substituted graphdiyne (HsGDY) film with an asymmetrical surface structure.
View Article and Find Full Text PDFThe interaction between meiosis-expressed gene 1 (MEIG1) and Parkin co-regulated gene (PACRG) is a critical determinant of spermiogenesis, the process by which round spermatids mature into functional spermatozoa. Disruption of the MEIG1-PACRG complex can impair sperm development, highlighting its potential as a therapeutic target for addressing male infertility or for the development of non-hormonal contraceptive methods. This study used virtual screening, molecular docking, and molecular dynamics (MD) simulations to identify small molecule inhibitors targeting the MEIG1-PACRG interface.
View Article and Find Full Text PDFMol Ther Nucleic Acids
December 2024
Department of Laboratory Medicine, Karolinska Institutet, ANA Futura, Alfred Nobels Allé 8, 14152 Huddinge, Stockholm, Sweden.
Anti-gene oligonucleotides belong to a group of therapeutic compounds, which, in contrast to antisense oligonucleotides, bind to DNA. Clamp anti-gene oligonucleotides bind through a double-stranded invasion mechanism. With two arms connected by a linker, they hybridize to one of the DNA strands forming Watson-Crick and Hoogsteen hydrogen bonds.
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