Analyte Interactions with Oxoporphyrinogen Derivatives: Computational Aspects

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F22%3A43904898" target="_blank" >RIV/60076658:12310/22:43904898 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.eurekaselect.com/article/120742" target="_blank" >https://www.eurekaselect.com/article/120742</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2174/1385272826666220208101325" target="_blank" >10.2174/1385272826666220208101325</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Analyte Interactions with Oxoporphyrinogen Derivatives: Computational Aspects

Popis výsledku v původním jazyce

The binding of anions by highly-coloured chromophore compounds is of interest from the point-of-view of the development of optical sensors for analyte species. In this review, we have summarised our work on the interactions between oxoporphyrinogen type host compounds and different analyte species using computational methods. The origin of our interest in sensing using oxoporphyrinogens stems from an initial finding involving anion-host interactions involving a conjugated oxoporphyrinogen molecule. This review starts from that point, introducing some additional exemplary anion binding data, which is then elaborated to include descriptions of our synthesis work towards multitopic and ion pair interactions. In all the projects, we have consulted computational data on host structure and host-guest complexes in order to obtain information about the interactions occurring during complexation. Density functional theory and molecular dynamics simulations have been extensively used for these purposes.

Název v anglickém jazyce

Analyte Interactions with Oxoporphyrinogen Derivatives: Computational Aspects

Popis výsledku anglicky

The binding of anions by highly-coloured chromophore compounds is of interest from the point-of-view of the development of optical sensors for analyte species. In this review, we have summarised our work on the interactions between oxoporphyrinogen type host compounds and different analyte species using computational methods. The origin of our interest in sensing using oxoporphyrinogens stems from an initial finding involving anion-host interactions involving a conjugated oxoporphyrinogen molecule. This review starts from that point, introducing some additional exemplary anion binding data, which is then elaborated to include descriptions of our synthesis work towards multitopic and ion pair interactions. In all the projects, we have consulted computational data on host structure and host-guest complexes in order to obtain information about the interactions occurring during complexation. Density functional theory and molecular dynamics simulations have been extensively used for these purposes.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Current Organic Chemistry

ISSN

1385-2728

e-ISSN

1875-5348

Svazek periodika

26

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

AE - Spojené arabské emiráty

Počet stran výsledku

16

Strana od-do

580-595

Kód UT WoS článku

000879982400004

EID výsledku v databázi Scopus

2-s2.0-85132825895