A combination of solid-state NMR techniques supported by EPR and SEM-EDX experiments was used to localize different carbon species (coke) in commercial fluid catalytic cracking catalysts. Aliphatic coke species formed during the catalytic process and aromatic coke species deposited directly from the feedstock respond differently to dynamic nuclear polarization signal enhancement in integral and crushed FCC particles, indicating that aromatic species are mostly concentrated on the outside of the catalyst particles, whereas aliphatic species are also located on the inside of the FCC particles. The comparison of solid-state NMR data with and without the DNP radical at low and ambient temperature suggests the proximity between aromatic carbon deposits and metals (mostly iron) on the catalyst surface. These findings potentially indicate that coke and iron deposit together, or that iron has a role in the formation of aromatic coke.
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http://dx.doi.org/10.1039/c7cc00849j | DOI Listing |
Inorg Chem
January 2025
Institute of Resource Ecology, Helmholtz-Zentrum Dresden-Rossendorf, Dresden 01328, Germany.
Heteroleptic An (An = U, Np) chlorido-ketoenaminate complexes of the type [AnCl(TFB-BuA)(THF)] ( type: , ; TFB-BuA = 4-(-butylamino)-1,1,1-trifluorobut-3-en-2-one) and the homoleptic Np heteroarylalkenolate complexes [Np(PyTFP)] (, PyTFP = 1-(pyridin-2-yl)-3,3,3-trifluoroprop-1-en-2-ol) and [Np(DMOTFP)] (, DMOTFP = 1-(4,5-dimethyloxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol) were synthesized and characterized (SC-XRD, NMR, Vis-NIR, MS). While their solid-state structures compare well to those of their uranium analogues, the behavior in solution showed significant differences. The binding motif of the DMOTFP ligand in complex can change to form two different complex isomers, as seen by paramagnetic chemical shifts in NMR experiments.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Regensburg, Faculty of Chemistry and Pharmacy, Institute of Inorganic Chemistry, Universitätsstraße 31, D-93053, Regensburg, GERMANY.
Aminophosphates are the focus of research on prebiotic phosphorylation chemistry. Their bifunctional nature also makes them a powerful class of organocatalysts. However, the structural chemistry and dynamics of proton-binding in phosphorylation and organocatalytic mechanisms are still not fully understood.
View Article and Find Full Text PDFMisfolding and aggregation of proteins into amyloidogenic assemblies are key features of several metabolic and neurodegenerative diseases. Human insulin has long been known to form amyloid fibrils under various conditions, which affects its bioavailability and function. Clinically, insulin aggregation at recurrent injection sites poses a challenge for diabetic patients who rely on insulin therapy.
View Article and Find Full Text PDFACS Omega
January 2025
Science Division, New York University Abu Dhabi, P.O. Box 129188, Abu Dhabi, United Arab Emirates.
Determining the structure of sitagliptin is crucial for ensuring its effectiveness and safety as a DPP-4 inhibitor used to treat type 2 diabetes. Accurate structure determination is vital for both drug development and maintaining quality control in manufacturing. This study integrates the advanced techniques of solid-state nuclear magnetic resonance (NMR) spectroscopy, three-dimensional (3D) electron diffraction, and density functional theory (DFT) calculations to investigate the structural intricacies of sitagliptin.
View Article and Find Full Text PDFInorg Chem
January 2025
Inner Mongolia Engineering Research Centre of Lithium-Sulfur Battery Energy Storage, Inner Mongolia Key Laboratory of Solid State Chemistry for Battery, College of Chemistry and Materials Science, Inner Mongolia Minzu University, Tongliao 028000, People's Republic of China.
In the era of global warming, the conversion of carbon dioxide into high-value products has become a widely scrutinized emerging mitigation strategy. Metalation of bpy-containing MOF-253 led to the synthesis of MOF-253-0.5Ag, which acts as an efficient catalyst for the carbonylative cyclization of CO with alkyne molecules (such as propynyl alcohols and propynyl amines) at room temperature and ambient CO pressure, yielding the corresponding α-alkyl cyclic carbonates and oxazolidinones, thus endowing the catalytic system with bifunctional characteristics.
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