Gold complexes were prepared and investigated as catalysts for the oxidative esterification of aldehydes. Stabilisation by pyridine ligands gave good conversions and the in situ extended X-ray absorption fine structure (EXAFS) study of the reactions indicated that the reaction mixtures contained only mononuclear gold species. Thus, this is the first proof for a homogeneous gold-catalysed oxidation reaction; the presence of nanoparticles could be excluded experimentally.
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http://dx.doi.org/10.1002/chem.200903450 | DOI Listing |
ACS Omega
December 2024
Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México, Cuernavaca, Morelos 62210, México.
J Phys Chem A
January 2025
Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
The fact that the photoabsorption spectrum of a material contains information about the atomic structure, commonly understood in terms of multiple scattering theory, is the basis of the popular extended X-ray absorption spectroscopy (EXAFS) technique. How much of the same structural information is present in other complementary spectroscopic signals is not obvious. Here we use a machine learning approach to demonstrate that within theoretical models that accurately predict the EXAFS signal, the extended near-edge region does indeed contain the EXAFS-accessible structural information.
View Article and Find Full Text PDFNanomaterials (Basel)
December 2024
State Key Laboratory of Intelligent Manufacturing Equipment and Technology, Huazhong University of Science and Technology, Wuhan 430074, China.
MgZnO possesses a tunable bandgap and can be prepared at relatively low temperatures, making it suitable for developing optoelectronic devices. MgZnO (~0.1) films were grown on sapphire by metal-organic vapor phase epitaxy under different substrate-growth temperatures of 350-650 °C and studied by multiple characterization technologies like X-ray diffraction (XRD), spectroscopic ellipsometry (SE), Raman scattering, extended X-ray absorption fine structure (EXAFS), and first-principle calculations.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Chemistry, Purdue University, West Lafayette, Indiana 47906, USA.
Peroxynitrite (ONOO) is a highly reactive nitrogen species that can cause significant damage to proteins, lipids, and DNA. Various enzymes, including metalloenzymes, play crucial roles in reducing ONOO concentrations to protect cellular components. While the interaction of ONOO with heme proteins is well known, the reduction by Cu-containing proteins is less studied.
View Article and Find Full Text PDFNanoscale
December 2024
Department of Chemistry, National Institute of Technology, Rourkela, 769008, India.
As nanocrystalline materials exhibit complex disorders, assessment of the local disorder at the nanoscale induced by implanted lattice defects plays a crucial role in understanding the structure-function relationship in these materials. In this report, a comprehensive structural analysis was performed on upconverting nanocrystals (UCNCs) of NaYF/Nd/Yb/Tm, containing varying concentrations of Li to induce deliberate lattice defects. Subsequently, a comprehensive structural analysis of the UCNCs was performed using synchrotron radiation-based high-resolution X-ray diffraction (HRXRD), high-energy total angle scattering coupled with pair distribution function (PDF) analysis, neutron diffraction (ND) and EXAFS probing.
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