In the title compound, C16H17ClO, the cyclo-hexene ring adopts a half-chair conformation and the best plane through the six ring atoms makes a dihedral angle of 6.69 (7)° with the chlorophenyl ring. In the crystal, pairs of C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric R 2 (2)(20) dimers. The dimers are linked into an infinite chains along the b-axis direction by further C-H⋯O hydrogen bonds.
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http://dx.doi.org/10.1107/S1600536813016255 | DOI Listing |
J Phys Chem B
January 2025
School of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi 110067, India.
Hydration free energy (HFE) of molecules is a fundamental property having importance throughout chemistry and biology. Calculation of the HFE can be challenging and expensive with classical molecular dynamics simulation-based approaches. Machine learning (ML) models are increasingly being used to predict HFE.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Aviation Oil and Material, Air Force Logistics Academy, 72 Xi Ge Road, Xuzhou, Jiangsu 221000, China.
Metal-air batteries desire highly active, durable, and low-cost oxygen reduction catalysts to replace expensive platinum (Pt). The Fe-N-C catalyst is recognized as the most promising candidate for Pt; however, its durability is hindered by carbon corrosion, while activity is restricted due to limited oxygen for the reaction. Herein, TiN is creatively designed to be hybridized with Fe-N-C (TiN/Fe-N-C) to relieve carbon corrosion and absorb more oxygen when catalyzing oxygen reduction.
View Article and Find Full Text PDFACS Biomater Sci Eng
January 2025
Department of Physiology, School of Basic Medical Sciences, Cheeloo College of Medicine, Shandong University, Jinan, Shandong 250012, P.R. China.
Mitochondrial dysfunction contributes to the pathology of hypoxia-ischemia (HI) brain damage by aberrant production of ROS. Hydrogen sulfide (HS) has been demonstrated to exert neuroprotective effects through antioxidant mechanisms. However, the diffusion of HS is not specifically targeted and may even be systemically toxic.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006, P. R. China.
Flexible electronics have been rapidly advancing and have garnered significant interest in monitoring physiological activities and health conditions. However, flexible electronics are prone to detachment in humid environments, so developing human-friendly flexible electronic devices that can effectively monitor human movement under various aquatic conditions and function as flexible electrodes remains a significant challenge. Here, we report a strongly adherent, self-healing, and swelling-resistant conductive hydrogel formed by combining the dual synergistic effects of hydrogen bonding and dipole-dipole interactions.
View Article and Find Full Text PDFInorg Chem
January 2025
College of Chemistry and Chemical Engineering, Xi'an Shiyou University, Xi'an 710065, China.
Luminescent lanthanide compounds stand out for their distinctive characteristics including narrow emission bands, substantial Stokes shifts, high quantum yields, and unique luminescent colors. However, Ln is highly susceptible to vibrational quenching from X-H (X = O/N) high-energy oscillators in the embedded organic antenna, resulting in significant nonradiative energy dissipation of the D excited states of Ln. Herein, we introduce a strategy based on supramolecular interactions to modulate the nonradiative transitions in a new Zn-Tb heterometallic compound, [ZnTb(HL)(NO)Cl]·2CHCN·HO (), based on a phenyl-substituted pyrazolinone-modified salicylamide-imide ligand ().
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