AI Article Synopsis
Article Abstract
Rationale: For the risk assessment of penconazole in the environment and the evaluation of the possible consequences of its use, it is important to determine how its reactivity and degradation are influenced by metals commonly found in nature, such as copper and zinc.
Methods: Changes in the reactivity of penconazole in the presence of zinc/copper ions were studied using electrospray ionisation mass spectrometry and density functional theory calculations.
Results: Many penconazole complexes with copper and zinc ions were created; a comparison of the elements showed that a few complexes were formed analogously (doubly charged complexes with four penconazole molecules, singly charged complexes with chlorine as a counterion and singly charged complexes with deprotonated penconazole as a counterion). The metal complexes with different structures indicated different reactivity of penconazole with copper and zinc.
Conclusions: The experimental and computational approaches have revealed different changes in the structure of penconazole. In the Zn(II) complex, penconazole deprotonated to stabilise the bond to Zn(II). In the Cu(II) complex, it loses one chlorine atom, creates an additional ring between the triazole ring and the phenyl ring, and/or creates a double bond in the short aliphatic chain.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/rcm.8714 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Effective mRNA transfection of tumor cells using cationic triacyl lipid‑based mRNA lipoplexes.
Biomed Rep
February 2025
Department of Molecular Pharmaceutics, Hoshi University, Shinagawa, Tokyo 142-8501, Japan.
Previously, it was reported that mRNA/cationic liposome complexes (mRNA lipoplexes) composed of the cationic triacyl lipid, 11-((1,3-bis(dodecanoyloxy)-2-((dodecanoyloxy)methyl)propan-2-yl)amino)-,,- trimethyl-11-oxoundecan-1-aminium bromide (TC-1-12), with 1,2-dioleoyl-glycero-3-phosphoethanolamine and poly(ethylene glycol) cholesteryl ether, induce high protein expression in human cervical carcinoma HeLa cells. In the present study, the authors aimed to optimize mRNA transfection using TC-1-12-based mRNA lipoplexes. mRNA lipoplexes were prepared at various charge ratios (+:-) using modified ethanol injection (MEI) and thin-film hydration (TFH) methods and compared the protein expression efficiency after transfection of HeLa cells with the developed mRNA lipoplexes.
View Article and Find Full Text PDFCell-Permeable Peptide Inhibitors of the p53-hDM2 Interaction via Foldamer Helix Mimicry and Bis-Thioether Stapling.
J Med Chem
December 2024
Univ. Bordeaux, CNRS, Bordeaux INP, CBMN, UMR 5248, IECB, F-33607 Pessac, France.
Combining helical foldamers with α-peptides can produce α-helix mimetics with a reduced peptide character and enhanced resistance to proteolysis. Previously, we engineered a hybrid peptide-oligourea sequence replicating the N-terminal α-helical domain of p53 to achieve high affinity binding to hDM2. Here, we further advance this strategy by combining the foldamer approach with side chain cross-linking to create more constrained cell-permeable inhibitors capable of effectively engaging the target within cells.
View Article and Find Full Text PDFVesicle docking and fusion pore modulation by the neuronal calcium sensor Synaptotagmin-1.
Biophys J
December 2024
Cellular and Molecular Physiology, School of Medicine, Yale University, New Haven, CT; Nanobiology Institute, Yale University, West Haven, CT; Molecular Biophysics and Biochemistry, Yale University, New Haven, CT; Saints-Pères Paris Institute for the Neurosciences (SPPIN), Université de Paris, Centre National de la Recherche Scientifique (CNRS) UMR 8003, Paris, France; Wu Tsai Institute, Yale University. Electronic address:
Synaptotagmin-1 (Syt1) is a major calcium sensor for rapid neurotransmitter release in neurons and hormone release in many neuroendocrine cells. It possesses two tandem cytosolic C2 domains that bind calcium, negatively charged phospholipids, and the neuronal SNARE complex. Calcium binding to Syt1 triggers exocytosis, but how this occurs is not well understood.
View Article and Find Full Text PDFToward High-Performance Pure-Green Tandem Organic Light-Emitting Diodes by Employing Barrier-Free Strategies in the Charge Generation Layer.
ACS Appl Mater Interfaces
December 2024
Jihua Hengye Electronic Materials Co. Ltd., Foshan, Guangdong Province 528200, P. R. China.
Charge generation layers (CGLs) play crucial roles in determining the electroluminescence (EL) performance of tandem organic light-emitting diodes (OLEDs). However, acquiring negligible voltage drops across the CGL unit and high-efficiency multiplications remains challenging. Here, we propose barrier-free strategies to compose a high-performance p-i-n type CGL intermediate by introducing a Yb/HI-9 modification at the heterojunction and a novel n-dopant, Yb:1,3-bis(9-phenyl-1,10-phenanthrolin-2-yl)benzene (mdPPhen), as the n-CGL.
View Article and Find Full Text PDFA conserved human CD4+ T cell subset recognizing the mycobacterial adjuvant, trehalose monomycolate.
J Clin Invest
December 2024
Department of Molecular Immunology, Research Institute for Microbial Diseas, Osaka University, Suita, Japan.
Mycobacterium tuberculosis causes human tuberculosis. As mycobacteria are protected by thick lipid cell wall, humans have developed immune responses against diverse mycobacterial lipids. Most of these immunostimulatory lipids are known as adjuvants acting through innate immune receptors, such as C-type lectin receptors.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!