Identification of catalytic sites for oxygen reduction in iron-and nitrogen-doped graphene materials
While platinum has hitherto been the element of choice for catalysing oxygen
electroreduction in acidic polymer fuel cells, tremendous progress has been reported for …
electroreduction in acidic polymer fuel cells, tremendous progress has been reported for …
X-ray absorption spectroscopy of biological samples. A tutorial
X-ray absorption spectroscopy (XAS) is an element specific spectroscopy sensitive to the
local chemical and structural order of the absorber element. XAS is nowadays increasingly …
local chemical and structural order of the absorber element. XAS is nowadays increasingly …
The insights from X-ray absorption spectroscopy into the local atomic structure and chemical bonding of metal–organic frameworks
After a short introduction highlighting the potentialities of metal–organic frameworks (MOFs)
and the power of X-ray absorption spectroscopies (XAS), a list of selected examples follows …
and the power of X-ray absorption spectroscopies (XAS), a list of selected examples follows …
Optimized finite difference method for the full-potential XANES simulations: Application to molecular adsorption geometries in MOFs and metal–ligand intersystem …
Accurate modeling of the X-ray absorption near-edge spectra (XANES) is required to
unravel the local structure of metal sites in complex systems and their structural changes …
unravel the local structure of metal sites in complex systems and their structural changes …
Methane partial oxidation by monomeric Cu active center confined on ZIF-7
The monomeric cupric ion (Cu 2+) species coordinated to four nitrogen ligands (CuN 4) is
recognized as a possible active site for particulate methane monooxygenase (pMMO) of the …
recognized as a possible active site for particulate methane monooxygenase (pMMO) of the …
Defect‐engineered nanozyme‐linked receptors
Though nanozymes are successfully applied in various areas, the increasing demands
facilitate the exploitation of nanozymes possessing higher activity and more functions …
facilitate the exploitation of nanozymes possessing higher activity and more functions …
Development of Lennard-Jones and Buckingham potentials for lanthanoid ions in water
V Migliorati, A Serva, FM Terenzio… - Inorganic …, 2017 - ACS Publications
New sets of Lennard-Jones and Buckingham potentials have been developed to be used in
classical molecular dynamics simulations of Ln3+-containing systems for the whole …
classical molecular dynamics simulations of Ln3+-containing systems for the whole …
XANES reveals the flexible nature of hydrated strontium in aqueous solution
X-ray absorption near-edge structure (XANES) spectroscopy has been used to determine
the structure of the hydrated strontium in aqueous solution. The XANES analysis has been …
the structure of the hydrated strontium in aqueous solution. The XANES analysis has been …
The ligand environment of zinc stored in vesicles
G Wellenreuther, M Cianci, R Tucoulou… - Biochemical and …, 2009 - Elsevier
Zinc serves regulatory functions in cells and thus, several mechanisms exist for tight control
of its homeostasis. One mechanism is storage in and retrieval from vesicles, so-called …
of its homeostasis. One mechanism is storage in and retrieval from vesicles, so-called …
Analysis of the Detailed Configuration of Hydrated Lanthanoid(III) Ions in Aqueous Solution and Crystalline Salts by Using K‐ and L3‐Edge XANES Spectroscopy
The structural properties of the hydrated lanthanoid (III) ions in aqueous solution and in the
isostructural trifluoromethanesulfonate salts have been investigated by a quantitative …
isostructural trifluoromethanesulfonate salts have been investigated by a quantitative …