Palladium oxidative addition complexes (OACs) have recently emerged as useful tools to enable challenging bond connections. However, each OAC can only be formed with one dative ligand at a time. As no one ligand is optimal for every cross-coupling reaction, we herein disclose a ligand exchange protocol for the preparation of a series of OACs bearing a variety of ancillary ligands from one common complex. These complexes were further applied to cross-coupling transformations.
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http://dx.doi.org/10.1021/acs.orglett.1c02101 | DOI Listing |
Talanta
December 2024
Key Laboratory for Analytical Science of Food Safety and Biology, College of Chemistry, Fuzhou University, Fuzhou, 350116, China; International (HongKong Macao and Taiwan) Joint Laboratory on food safety and environmental analysis, Fuzhou, 350116, Fuzhou University, China; Engineering Technology Research Center on Reagent and Instrument for Rapid Detection of Product Quality and Food Safety, Fuzhou, 350116, China. Electronic address:
The release of microcystin (MCs) in aquatic ecosystems poses a substantial risk to the safety of irrigation and drinking water. In view of the challenges associated with monitoring MCs in water bodies, given their low concentration levels (μg/L to ng/L) and the presence of diverse matrix interferences, there is an urgent need to develop an efficient, cost-effective and selective enrichment technique for MCs prior to its quantification. In this work, a gold nanoparticles (AuNPs)-functionalized zwitterionic polymer monolith was described and further applied for the affinity enrichment of MCs.
View Article and Find Full Text PDFComput Biol Chem
December 2024
Department of Cancer Biology, The University of Texas MD Anderson Cancer Center, Houston, TX 77054, USA.
The mesenchymal stem cell (MSC) secretome plays a pivotal role in shaping the tumor microenvironment, influencing both cancer progression and potential therapeutic outcomes. In this research, by using publicly available dataset GSE196312, we investigated the role of MSC secretome on breast cancer cell gene expression. Our results raveled differentially expressed genes, including the upregulation of Phosphatidylinositol-3,4,5-Trisphosphate Dependent Rac Exchange Factor 1 (PREX1), C-C Motif Chemokine Ligand 28 (CCL28), and downregulation of Collagen Type I Alpha 1 Chain (COL1A1), Collagen Type I Alpha 3 Chain (COL1A3), Collagen Type III Alpha 1 Chain (COL3A1), which contributing to extra cellular matrix (ECM) weakening and promoting cell migration.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
HUN-REN Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary.
The assessment of electronic structure descriptions utilized in the simulation of the ultrafast excited-state dynamics of Fe(II) complexes is presented. Herein, we evaluate the performance of the RPBE, OPBE, BLYP, B3LYP, B3LYP*, PBE0, TPSSh, CAM-B3LYP, and LC-BLYP (time-dependent) density functional theory (DFT/TD-DFT) methods in full-dimensional trajectory surface hopping (TSH) simulations carried out on linear vibronic coupling (LVC) potentials. We exploit the existence of time-resolved X-ray emission spectroscopy (XES) data for the [Fe(bmip)] and [Fe(terpy)] prototypes for dynamics between metal-to-ligand charge-transfer (MLCT) and metal-centered (MC) states, which serve as a reference to benchmark the calculations (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, terpy = 2,2':6',2″-terpyridine).
View Article and Find Full Text PDFInorg Chem
January 2025
Departamento de Química Física and Instituto de Biocomputación y Física de Sistemas Complejos (BIFI), Universidad de Zaragoza, Zaragoza 50009, Spain.
The pentafluoroorthotellurate group (-OTeF, teflate) exhibits high electron-withdrawing properties. Indeed, it is often used as a bulky substitute for fluoride due to its high chemical stability and larger size, which reduces its tendency to act as a bridging ligand. These characteristics make it a valuable ligand in synthetic chemistry, facilitating the preparation of molecular structures analogous to polymeric fluoride-based compounds.
View Article and Find Full Text PDFACS Nano
January 2025
Institute of Molecular Plus, Department of Chemistry, Tianjin University, Tianjin 300072, People's Republic of China.
Extracting lithium from salt lakes requires ion-selective membranes with customizable nanochannels. However, it remains a major challenge to separate alkali cations due to their same valences and similar ionic radius. Inspired by the K channel of KcsA K, significant progress has been made in adjusting nanochannel size to control the ion selectivity dominated by alkali cations dehydration.
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