The diversity of the self-assembled structures of a Cu complex via hydrogen bonding, including a square planar unit, is reported. The Cu complex forms two self-assembled structures by hydrogen bonding, depending on the acidity of the recrystallization conditions. A linear chain structure can be produced under acidic conditions, and a three-dimensional network structure is observed under basic conditions. The linear chain structure is constructed from intermolecular sharing of a hydrogen atom between two 2-pyridinemethanolate units, with an OO distance of 2.412(1) Å and an O-H-O bond angle of 170(3)°. The linear chain structure exhibits relatively strong magnetic coupling (J = -9.91(2) cm) via hydrogen bonding between Cu atoms; this coupling was also confirmed by electron spin resonance experiments. Thermochromic behavior was also observed for the complex.
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http://dx.doi.org/10.1039/c7dt00718c | DOI Listing |
Comput Biol Chem
January 2025
Department of Biostatistics and Bioinformatics, ICMR-National Institute for Research in Environmental Health, Bhopal, Madhya Pradesh, India. Electronic address:
Plastics play an essential role in modern fisheries and their degradation releases micro- and nano-sized plastic particles which further causes ecological and human health hazards through various environmental contamination pathways and toxicity mechanisms, which can cause respiratory problems, cancer, reproductive toxicity, endocrine disruption and neurological effects in humans. This study utilized various bioinformatics tools through multi-step computational analyses to investigate the interactions between prevalent fisheries microplastics and the key protein receptor acetylcholinesterase (AChE), which is associated with neurotoxicity, as it can interfere with nerve impulses and muscle control. Our results indicate that the binding of seven polymers within AChE's active site, with dodecane and polypropylene exhibited highest affinity with hydrogen bonding were observed through Molecular docking of different program (PyRx) and servers (CB-Dock, eDock) then the stability of AChE-dodecane and AChE-polypropylene complexes were observed through MD simulations for 100 ns.
View Article and Find Full Text PDFJ Chromatogr A
January 2025
State Key Laboratory of Advanced Drug Delivery and Release Systems, and Medical Science and Technology Innovation Center, School of Pharmaceutical Sciences & Institute of Materia Medica, Shandong First Medical University & Shandong Academy of Medical Sciences, Jinan, Shandong 250117, China. Electronic address:
Considering the widespreadly use, large consumption, and serious environmental and health threats of phenylpyrazole insecticides (PPIs), development of a selective and sensitive method for accurate detection of their residuals in food samples is of great significance and challenging. Herein, depending on the hydrophobic and F-containing characteristics of PPIs, a novel fluorinated magnetic microporous organic network (FMMON) was designed and prepared for efficient and selective magnetic solid-phase extraction (MSPE) of two typical PPIs (fipronil and ethiprole) from milk and egg samples before the HPLC-UV determination. FMMON owned large specific surface area, multiple interaction sites, excellent magnetic separation performance and stability and exhibited good extraction and selectivity for fipronil and ethiprole through the specific F-F, hydrogen bonding, hydrophobic, and π-π interactions.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China.
A small but growing set of radical SAM (-adenosyl-l-methionine) enzymes catalyze the radical mediated dehydration or dehydrogenation of 1,2-diol substrates. In some cases, these activities can be interchanged via minor structural perturbations to the reacting components raising questions regarding the relative importance of hyperconjugation, proton circulation and leaving group stability in determining the reaction outcome. The present work describes trapping and electron paramagnetic resonance (EPR) characterization of an α-hydroxyalkyl radical intermediate during dehydration and dehydrogenation of cytosylglucuronic acid and its derivatives catalyzed by the radical SAM enzyme BlsE and its Glu189Ala mutant from the blasticidin S biosynthetic pathway.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, International Innovation Center for Forest Chemicals and Materials, College of Light Industry and Food Engineering, Nanjing Forestry University, Nanjing 210037, China. Electronic address:
TEMPO-CNF film modified by two-dimension transition metal MXene has certain antibacterial properties. However, the problem of long-lasting stability greatly restricts the feasibility of long-term use of the composite film. Here, we introduced polyaniline (PANI) as a modifying molecule, which was electrostatically adsorbed on the surface of the MXene nanosheets to prevent its self-stacking and delay its oxidation.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Zhejiang Provincial Engineering Research Center for Green and Low-carbon Dyeing & Finishing, Zhejiang Sci-Tech University, Hangzhou 310018, China; Zhejiang Provincial Innovation Center of Advanced Textile Technology, Shaoxing 312000, China. Electronic address:
Comparing to the solvent-based and waterborne polyurethanes (PU), the solvent-free reactive PU (RPU) is prepared via in-situ polymerization and film-formation of isocyanate-capped prepolymers and macromolecular polyols in solvent-free system. Thus, the carbon emissions and environmental pollutions are significantly reduced. However, the rapid polymerization also challenges the well control of structure and properties, especially the ordered microstructures.
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