scholarly journals Unravelling the key role of surface features behind facet-dependent photocatalysis of anatase TiO2

2019 ◽  
Vol 55 (30) ◽  
pp. 4415-4418 ◽  
Author(s):  
Yung-Kang Peng ◽  
Benedict Keeling ◽  
Yiyang Li ◽  
Jianwei Zheng ◽  
Tianyi Chen ◽  
...  
Keyword(s):  
High Activity ◽  
Anatase Tio2 ◽  
Electronic Effects ◽  
Surface Features

The high activity of the anatase TiO2(001) facet in photocatalytic H2 evolution is due to local electronic effects created by surface F on the facet.

scholarly journals Mg2+ storage and mobility in anatase TiO2: the role of frustrated coordination

2019 ◽  
Vol 7 (8) ◽  
pp. 3704-3713 ◽  
Author(s):  
Kit McColl ◽  
Furio Corà
Keyword(s):  
Anatase Tio2 ◽  
Migration Barriers ◽  
Lattice Distortions

Low migration barriers of ∼540 meV allow good Mg mobility under dilute conditions, but cooperative lattice distortions limit mobility at high Mg concentrations.

scholarly journals The synthesis and application of novel Ni(ii) N-alkyl dipyridylaldiminato complexes as selective ethylene oligomerisation catalysts

2014 ◽  
Vol 43 (26) ◽  
pp. 9892-9900 ◽  
Author(s):  
Andrew J. Swarts ◽  
Selwyn F. Mapolie
Keyword(s):  
High Activity ◽  
Catalyst Activity ◽  
Electronic Effects ◽  
Activation Pathways

A series of dinuclear Cl-bridged Ni(ii) complexes, 1a–1e, ligated by N-alkyl 2,2′-dipyridylamine ligands displayed high activity in ethylene oligomerisation, when activated with alkyl aluminium reagents. Steric and electronic effects as well as activation pathways were found to have a significant impact on catalyst activity and selectivity.

A β-cyclodextrin–resveratrol inclusion complex and the role of geometrical and electronic effects on its electronic induced circular dichroism

RSC Advances ◽  
2013 ◽  
Vol 3 (26) ◽  
pp. 10242 ◽  
Author(s):  
Eduardo Troche-Pesqueira ◽  
Ignacio Pérez-Juste ◽  
Armando Navarro-Vázquez ◽  
María Magdalena Cid
Keyword(s):  
Circular Dichroism ◽  
Inclusion Complex ◽  
Induced Circular Dichroism ◽  
Electronic Effects ◽  
Circular Dichroïsm

The role of the shell in core–shell-structured La-doped NaTaO3 photocatalysts

2021 ◽  
Vol 23 (14) ◽  
pp. 8868-8879
Author(s):  
Hanggara Sudrajat ◽  
Mitsunori Kitta ◽  
Ryota Ito ◽  
Tomoko Yoshida ◽  
Ryuzi Katoh ◽  
...  
Keyword(s):  
Spatial Distribution ◽  
Water Splitting ◽  
Core Shell ◽  
Surface Features ◽  
Relationship Of ◽  
La Doped

Unraveling the nanoarchitecture–photoactivity relationship of core–shell-structured La-doped NaTaO3 to tune the surface features, spatial distribution of dopants, and hence water splitting activity.

scholarly journals Functional cross-talk between allosteric effects of activating and inhibiting ligands underlies PKM2 regulation

2018 ◽  
Author(s):  
Jamie A. Macpherson ◽  
Alina Theisen ◽  
Laura Masino ◽  
Louise Fets ◽  
Paul C. Driscoll ◽  
...  
Keyword(s):  
Enzymatic Activity ◽  
High Activity ◽  
Pyruvate Kinase ◽  
Cross Talk ◽  
Glycolytic Enzyme ◽  
Computational Framework ◽  
Allosteric Inhibitor ◽  
Fructose 1,6 Bisphosphate ◽  
Low Activity

ABSTRACTAllosteric regulation is central to the role of the glycolytic enzyme pyruvate kinase M2 (PKM2) in cellular metabolism. Multiple activating and inhibitory allosteric ligands regulate PKM2 activity by controlling the equilibrium between high activity tetramers and low activity dimers and monomers. However, it remains elusive how allosteric inputs upon simultaneous binding of different ligands are integrated to regulate PKM2 activity. Here, we show that, in the presence of the allosteric inhibitor L-phenylalanine (Phe), the activator fructose 1,6-bisphosphate (FBP) can induce PKM2 tetramerisation, but fails to maximally increase enzymatic activity. Guided by a new computational framework we developed to identify residues that mediate FBP-induced allostery, we generated two PKM2 mutants, A327S and C358A, in which activation by FBP remains intact but cannot be attenuated by Phe. Our findings demonstrate a role for residues involved in FBP-induced allostery in enabling the integration of allosteric input from Phe and reveal a mechanism that underlies the co-ordinate regulation of PKM2 activity by multiple allosteric ligands.

Electrophilic additions to allenes. VI. The role of steric versus electronic effects in the reactions of arenesulphenyl halides with allenes

1980 ◽  
Vol 58 (24) ◽  
pp. 2737-2744 ◽  
Author(s):  
Dennis G. Garrattz ◽  
Pierre L. Beaulieu
Keyword(s):  
Positive Charge ◽  
Steric Effects ◽  
Rate Data ◽  
Electronic Effects ◽  
Rate Determining Step ◽  
Minimal Importance ◽  
Electrophilic Additions

The role of steric and electronic effects during the rate and product determining steps for the addition of arenesulphenyl chlorides to 1,3-disubstituted allenes has been briefly examined. Both effects appear to be generally of minimal importance during the rate determining step. The available rate data indicate the presence of little, if any, build up of positive charge on sulphur. These results are interpreted in terms of an SN2 attack on bivalent sulphur leading to an alkylidenethiiranium ion intermediate. Steric effects are of greater importance in the product determining step, particularly when the sulphenyl chlorides possess two bulky ortho substituents, as in the case of 2,4,6-triisopropylbenzenesulphenyl chloride.

Intrinsic composition and electronic effects of multicomponent platinum nanocatalysts with high activity and selectivity for ethanol oxidation reaction

2018 ◽  
Vol 6 (24) ◽  
pp. 11270-11280 ◽  
Author(s):  
Lin-Xiu Dai ◽  
Xin-Yu Wang ◽  
Sheng-Song Yang ◽  
Tao Zhang ◽  
Peng-Ju Ren ◽  
...  
Keyword(s):  
High Activity ◽  
Oxidation Reaction ◽  
Ethanol Oxidation ◽  
Activity Relationship ◽  
Ethanol Electrooxidation ◽  
Electronic Effects ◽  
Ethanol Oxidation Reaction

There exists a volcano-shaped composition–activity relationship for ternary Pt–Rh-based nanoalloys in the ethanol electrooxidation reaction.

scholarly journals Origin of the electrocatalytic activity in carbon nanotube fiber counter-electrodes for solar-energy conversion

2020 ◽  
Vol 2 (10) ◽  
pp. 4400-4409
Author(s):  
Alba Martínez-Muíño ◽  
Moumita Rana ◽  
Juan J. Vilatela ◽  
Rubén D. Costa
Keyword(s):  
Solar Cells ◽  
Carbon Nanotube ◽  
Solar Energy ◽  
High Activity ◽  
Functional Groups ◽  
Electrocatalytic Activity ◽  
Counter Electrodes ◽  
Fe Catalyst ◽  
Carbon Nanotube Fiber

A study of the role of functional groups and residual Fe catalyst on the high activity of carbon nanotube (CNT) fibre counter electrodes outperforming Pt in dye-sensitised solar cells (DSSCs) with Co2+/Co3+ redox couple electrolytes.

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