19 Feb 19
@sonhouse saidIt's quite special and deserves to be quoted here:
https://phys.org/news/2019-02-principles-peroxidase-mimicking-nanozymes.html
Can anyone here say in English what the third paragraph is all about? It comes out as gibberish in MY mind😉
To meet this challenge, Wei and co-workers reported that the efficacy of a descriptor based on the occupancy of antibonding eg orbitals (i.e., eg occupancy) to predict and optimize the peroxidase-like activity of perovskite transition metal oxide (TMO) nanomaterials. They identified a volcano relationship between the occupancy and the catalytic activity: namely, perovskite TMOs with an occupancy of around one and zero (or two) exhibited the highest and lowest peroxidase-like activity, respectively. The volcano relationship was further rationalized by density functional theory (DFT) calculations. The occupancy descriptor successfully predicted the peroxidase-like activity of binary TMOs with the same octahedral coordination geometries.In plain English they've developed a way of modeling the chemistry of nanozymes (which I'm guessing is a small enzyme) to help develop useful ones. But I've no idea if an "antibonding eg orbital" is a thing or a typographic error.
Read more at: https://phys.org/news/2019-02-principles-peroxidase-mimicking-nanozymes.html#jCp
19 Feb 19
4 edits
from the third paragraph in the OP link:
"They identified a volcano relationship between the occupancy and the catalytic activity"
This above statement is just complete gibberish to me. What has this got to do with a "volcano"? I assume that is some kind of metaphor?
I googled "volcano relationship" just in case that has some special technical meaning in chemistry and/or in science in general that I was unaware of; it appears it doesn't.
What do they mean by "volcano relationship"?