Removal of Ampicillin by Heterogeneous Photocatalysis: Combined Experimental and DFT Study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00544468" target="_blank" >RIV/61388955:_____/21:00544468 - isvavai.cz</a>

Alternative codes found

RIV/60461373:22330/21:43922153

Result on the web

<a href="http://hdl.handle.net/11104/0321315" target="_blank" >http://hdl.handle.net/11104/0321315</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/nano11081992" target="_blank" >10.3390/nano11081992</a>

Result language

angličtina

Original language name

Removal of Ampicillin by Heterogeneous Photocatalysis: Combined Experimental and DFT Study

Original language description

A long-term exposition of antibiotics represents a serious problem for the environment, especially for human health. Heterogeneous photocatalysis opens a green way for their removal. Here, we correlated the structural-textural properties of TiO2 photocatalysts with their photocatalytic performance in ampicillin abatement. The tested nanoparticles included anatase and rutile and their defined mixtures. The nominal size range varied from 5 to 800 nm, Aeroxide P25 serving as an industrial benchmark reference. The degradation mechanism of photocatalytic ampicillin abatement was studied by employing both experimental (UPLC/MS/MS, hydroxyl radical scavenger) and theoretical (quantum calculations) approaches. Photocatalytic activity increased with the increasing particle size, generally, anatase being more active than rutile. Interestingly, in the dark, the ampicillin concentration decreased as well, especially in the presence of very small nanoparticles. Even if the photolysis of ampicillin was negligible, a very high degree of mineralization of antibiotic was achieved photocatalytically using the smallest nanoparticles of both allotropes and their mixtures. Furthermore, for anatase samples, the reaction rate constant increases with increasing crystallite size, while the degree of mineralization decreases. Importantly, the suggested degradation pathway mechanism determined by DFT modeling was in very good agreement with experimentally detected reaction products.n

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Nanomaterials

ISSN

2079-4991

e-ISSN

2079-4991

Volume of the periodical

11

Issue of the periodical within the volume

8

Country of publishing house

CH - SWITZERLAND

Number of pages

13

Pages from-to

1992

UT code for WoS article

000690050500001

EID of the result in the Scopus database

2-s2.0-85111625701