Abstract
This article reports the synthesis and characterisation of two lower rim calix[4]arene derivatives with thiourea as spacer and pyrene or methylene–pyrene as fluorophore. Both derivatives exhibit a fluorimetric response towards Hg2+, Ag+ and Cu2+. Only methylene–pyrenyl derivative 2 allows for selective detection of Hg2+ and Ag+ by enhancement or decrease of excimer emission, respectively. The limits of detection of 2 are 8.11 nM (Hg2+) and 2.09 nM (Ag+). DFT and TD-DFT computational studies were carried out and used to identify possible binding modes that explain the observed response during fluorescence titrations. Calculations revealed the presence of different binding sites depending on the conformation of 2, which suggest a reasonable explanation for non-linear changes in fluorescence depending on the physical nature of the interaction between metal centre and conformer. INHIBITION and IMPLICATION logic gates have also been generated monitoring signal outputs at pyrene monomer (395 nm) and excimer (472 nm) emission, respectively. Thus 2 is a potential primary sensor towards Ag+ and Hg2+ able to configure two different logic gate operations.
Highlights
Transition metal ions play an important role in a wide range of chemical reactions, including biological metabolism and many other natural or anthropogenic processes.[1,2,3,4] much effort has been made in order to develop chemosensors capable of their qualitative or quantitative determination.[1,5,6,7] Silver ions are widely studied because of their antimicrobial activities,[8] applications in photography, electronics and medicinal chemistry.[9]
density functional theory (DFT) and TD-DFT computational studies were carried out and used to identify possible binding modes that explain the observed response during fluorescence titrations
As a result of that, excess of silver ions can lead to bioaccumulation and intoxication,[11] resulting in adverse effects affecting kidney function, immune and cardiovascular systems, and inactivation of sul ydryl enzymes.[12]
Summary
Transition metal ions play an important role in a wide range of chemical reactions, including biological metabolism and many other natural or anthropogenic processes.[1,2,3,4] much effort has been made in order to develop chemosensors capable of their qualitative or quantitative determination.[1,5,6,7] Silver ions are widely studied because of their antimicrobial activities,[8] applications in photography, electronics and medicinal chemistry (e.g. silver nanoparticles).[9] silver contamination can occur through a variety of sources including volcanoes, gold mining or fossil fuel combustion.[10] As a result of that, excess of silver ions can lead to bioaccumulation and intoxication,[11] resulting in adverse effects affecting kidney function, immune and cardiovascular systems, and inactivation of sul ydryl enzymes.[12] mercury is one of the most toxic and environmentally widespread contaminants, causing serious
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
