scholarly journals Computational Catalysis—Trends and Outlook

Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 479
Author(s):  
Christoffer Heath Turner
Keyword(s):  
Active Sites ◽  
Chemical Mechanisms ◽  
Research Fields ◽  
Dynamic Research ◽  
Computational Catalysis

Computational catalysis has been one of the most dynamic research fields over the last decade, and it now represents a critical tool for the analysis of chemical mechanisms and active sites [...]

scholarly journals Chemical mechanisms in the dissolution kinetics of minerals; the aspect of active sites

1990 ◽  
Vol 52 (1) ◽  
pp. 3-31 ◽  
Author(s):  
Bernhard Wehrli ◽  
Erich Wieland ◽  
Gerhard Furrer
Keyword(s):  
Active Sites ◽  
Dissolution Kinetics ◽  
Chemical Mechanisms ◽  
Kinetics Of

Structural investigation of Neptunium(IV) in toxicological processes

2005 ◽  
Vol 893 ◽  
Author(s):  
Christophe Den Auwer ◽  
Philippe Moisy ◽  
Dominique Guillaumont ◽  
Claude Vidaud ◽  
Harald Funke ◽  
...  
Keyword(s):  
Active Sites ◽  
Structural Investigation ◽  
Intramolecular Interactions ◽  
Biologically Active ◽  
Spectroscopic Techniques ◽  
Chemical Mechanisms ◽  
Military Applications ◽  
Inorganic Complexes ◽  
Ideal Tool ◽  
X Ray Absorption

AbstractGeneral understanding of intramolecular interactions engaged in molecular actinide species, in other words physical chemical mechanisms that drive the affinity of chelating ligands for actinide cations still needs to be deepened. In this field, X ray Absorption Spectroscopy has been extensively used as a structural and electronic metal cation probe. Combination with more traditional spectroscopic techniques as spectrophotometry is an ideal tool for the understanding of the chelation mechanism. Metallobiomolecules are considered as elaborate inorganic complexes with well-designed metal active sites. Although the various interaction processes between essential cations to biology and proteins are widely studied, focus on the actinide family is more seldom. Actinide impact to biological cycles has been motivated by risk assessments related to the wide use of nuclear fuel sources and industrial or military applications. In particular, the interactions of these cations with the biologically active complexation sites are only partially understood.

scholarly journals Problematyka naukowo-badawcza i dorobek naukowy pracowników Katedry Pedagogiki i Dydaktyki Uniwersytetu Poznańskiego 1919–1939 w stulecie powstania Uniwersytetu im. Adama Mickiewicza w Poznaniu (1919–2019)

1970 ◽  
pp. 145-165
Author(s):  
Konrad Nowak-Kluczyński
Keyword(s):  
Interwar Period ◽  
Research Issues ◽  
Academic Achievements ◽  
Research Areas ◽  
Research Fields ◽  
National Trend ◽  
History Of ◽  
Dynamic Research ◽  
Adam Mickiewicz

Research issues and academic achievements of the faculty of the Department of Pedagogy and Teaching at Poznań University in 1919–1939 on the centennial of the establishment of Adam Mickiewicz University in Poznań (1919–2019). In its early days, Poznań University attracted a large number of researchers representing many disciplines of science but prevailing humanities. Poznań was a centre of very dynamic research into pedagogy and psychology. Initially, the Department of Pedagogy and Teaching at Poznań University focused on just a few research fields and areas. In the lead were issues related to the theory of upbringing, educating adults and the history of upbringing. In the local Department of Pedagogy and Teaching, a number of contributions was made to teaching and the methodology of some teaching subjects. In the Interwar Period, the following research areas were pursued by the pedagogy teachers at Poznań University: Antoni Danysz’ progressive-national trend referring to the ideological traditions of the Revolutions of 1848; Ludwik Jaxa-Bykowski’s nationalist-anthropological trend resulting from nationalist conflicts and efforts to reinforce the nation with special emphasis placed on the first decade of Poland’s independence; Marian Wachowski’s nationalist-imperialistic trend based on German philosophical pedagogy.

What catalysis needs from the electron microscopist

1988 ◽  
Vol 46 ◽  
pp. 694-695
Author(s):  
Alexis T. Bell
Keyword(s):  
Active Sites ◽  
Heterogeneous Catalysts ◽  
Catalyst Deactivation ◽  
Surface Composition ◽  
Internal Surface ◽  
Active Phase ◽  
Atomic Scale ◽  
Metal Catalyst ◽  
Internal Surface Area ◽  
Porous Support

Heterogeneous catalysts, used in industry for the production of fuels and chemicals, are microporous solids characterized by a high internal surface area. The catalyticly active sites may occur at the surface of the bulk solid or of small crystallites deposited on a porous support. An example of the former case would be a zeolite, and of the latter, a supported metal catalyst. Since the activity and selectivity of a catalyst are known to be a function of surface composition and structure, it is highly desirable to characterize catalyst surfaces with atomic scale resolution. Where the active phase is dispersed on a support, it is also important to know the dispersion of the deposited phase, as well as its structural and compositional uniformity, the latter characteristics being particularly important in the case of multicomponent catalysts. Knowledge of the pore size and shape is also important, since these can influence the transport of reactants and products through a catalyst and the dynamics of catalyst deactivation.

Scanning luminescence x-ray microscopy: Progress toward selective staining using microspheres

1994 ◽  
Vol 52 ◽  
pp. 74-75
Author(s):  
C. Jacobsen ◽  
J. Fu ◽  
S. Mayer ◽  
Y. Wang ◽  
S. Williams
Keyword(s):  
Visible Light ◽  
Active Sites ◽  
Light Emission ◽  
Chinese Hamster ◽  
Polystyrene Spheres ◽  
Good Resistance ◽  
X Ray ◽  
Selective Staining ◽  
Visible Light Emission ◽  
Specific Labelling

In scanning luminescence x-ray microscopy (SLXM), a high resolution x-ray probe is used to excite visible light emission (see Figs. 1 and 2). The technique has been developed with a goal of localizing dye-tagged biochemically active sites and structures at 50 nm resolution in thick, hydrated biological specimens. Following our initial efforts, Moronne et al. have begun to develop probes based on biotinylated terbium; we report here our progress towards using microspheres for tagging.Our initial experiments with microspheres were based on commercially-available carboxyl latex spheres which emitted ~ 5 visible light photons per x-ray absorbed, and which showed good resistance to bleaching under x-ray irradiation. Other work (such as that by Guo et al.) has shown that such spheres can be used for a variety of specific labelling applications. Our first efforts have been aimed at labelling ƒ actin in Chinese hamster ovarian (CHO) cells. By using a detergent/fixative protocol to load spheres into cells with permeabilized membranes and preserved morphology, we have succeeded in using commercial dye-loaded, spreptavidin-coated 0.03μm polystyrene spheres linked to biotin phalloidon to label f actin (see Fig. 3).

The design and catalytic performance of molybdenum active sites on an MCM-41 framework for the aerobic oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran

2019 ◽  
Vol 9 (3) ◽  
pp. 811-821 ◽  
Author(s):  
Zhao-Meng Wang ◽  
Li-Juan Liu ◽  
Bo Xiang ◽  
Yue Wang ◽  
Ya-Jing Lyu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Active Sites ◽  
Aerobic Oxidation ◽  
Catalytic Performance ◽  
Mcm 41

The catalytic activity decreases as –(SiO)3Mo(OH)(O) > –(SiO)2Mo(O)2 > –(O)4–MoO.

A novel ligand with –NH2 and –COOH-decorated Co/Fe-based oxide for an efficient overall water splitting: dual modulation roles of active sites and local electronic structure

2020 ◽  
Vol 10 (18) ◽  
pp. 6266-6273
Author(s):  
Yalan Zhang ◽  
Zebin Yu ◽  
Ronghua Jiang ◽  
Jung Huang ◽  
Yanping Hou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Water Splitting ◽  
Energy Demand ◽  
Active Sites ◽  
Electrode Materials ◽  
Global Energy ◽  
Overall Water Splitting ◽  
Local Electronic Structure ◽  
Electrochemical Water Splitting

Excellent electrochemical water splitting with remarkable durability can provide a solution to satisfy the increasing global energy demand in which the electrode materials play an important role.

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