Amorphous zirconium oxide activates peroxymonosulfate for selective degradation of organic compounds: Performance, mechanisms and structure-activity …

X Li, R Lv, W Zhang, M Li, J Lu, Y Ren, Y Yin, J Liu - Water Research, 2023 - Elsevier
Application of heterogeneous advanced oxidation processes (AOPs) for wastewater
treatment suffers from the low oxidant utilization efficiency, slow catalytic cycling and severe …

Invited review: small GTPases and their GAPs

AK Mishra, DG Lambright - Biopolymers, 2016 - Wiley Online Library
Widespread utilization of small GTPases as major regulatory hubs in many different
biological systems derives from a conserved conformational switch mechanism that …

Lessons from computer simulations of Ras proteins in solution and in membrane

P Prakash, AA Gorfe - Biochimica et Biophysica Acta (BBA)-General …, 2013 - Elsevier
Background A great deal has been learned over the last several decades about the function
of Ras proteins in solution and membrane environments. While much of this knowledge has …

GTP hydrolysis without an active site base: a unifying mechanism for Ras and related GTPases

AR Calixto, C Moreira, A Pabis, C Kötting… - Journal of the …, 2019 - ACS Publications
GTP hydrolysis is a biologically crucial reaction, being involved in regulating almost all
cellular processes. As a result, the enzymes that catalyze this reaction are among the most …

Structure and reactivity of supported hybrid platinum nanoparticles for the flow hydrogenation of functionalized nitroaromatics

G Vilé, N Almora-Barrios, N López… - ACS Catalysis, 2015 - ACS Publications
This contribution targets the first comprehensive understanding of the next-generation
catalyst for nitroarene hydrogenation, featuring ligand-capped 2 nm platinum nanoparticles …

Hydrolysis of guanosine triphosphate (GTP) by the Ras· GAP protein complex: reaction mechanism and kinetic scheme

MG Khrenova, BL Grigorenko… - The Journal of …, 2015 - ACS Publications
Molecular mechanisms of the hydrolysis of guanosine triphosphate (GTP) to guanosine
diphosphate (GDP) and inorganic phosphate (Pi) by the Ras· GAP protein complex are fully …

Conformational features of Ras: Key hydrogen-bonding interactions of Gln61 in the intermediate state during GTP hydrolysis

J Zeng, J Weng, Y Zhang, F Xia, Q Cui… - The Journal of Physical …, 2021 - ACS Publications
The Ras protein is one of the most important drug targets for battling cancers. To effectively
design novel drugs of Ras, we characterize here its conformational ensembles for the …

Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations

J Zeng, J Chen, F Xia, Q Cui, X Deng… - Physical Chemistry …, 2022 - pubs.rsc.org
As the hub of major signaling pathways, Ras proteins are implicated in 19% of tumor-caused
cancers due to perturbations in their conformational and/or catalytic properties. Despite …

Emerging Phosphate-Functionalized Co3O4/Kaolinite Composites for Enhanced Activation of Peroxymonosulfate

Q Zhao, C Gao, L Hou, H Yang - Inorganic Chemistry, 2023 - ACS Publications
The Fenton-like reaction, as one of the most efficient strategies to generate radical species
for the degradation of environmental pollutants, has attracted considerable attention …

Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations

F Hu, Y Wang, J Zeng, X Deng, F Xia… - The Journal of Physical …, 2024 - ACS Publications
In cells, wild-type RasGTP complexes exist in two distinct states: active State 2 and inactive
State 1. These complexes regulate their functions by transitioning between the two states …