A Simple but Effective Ferrocene Derivative as a Redox, Colorimetric, and Fluorescent Receptor for Highly Selective Recognition of Zn2+Ions

2007 ◽  
Vol 9 (12) ◽  
pp. 2385-2388 ◽  
Author(s):  
Fabiola Zapata ◽  
Antonio Caballero ◽  
Arturo Espinosa ◽  
Alberto Tárraga ◽  
Pedro Molina
2018 ◽  
Vol 96 ◽  
pp. 170-174 ◽  
Author(s):  
Yangyang Zhou ◽  
Yuan Cao ◽  
Guidong Gong ◽  
Yanjin Zhang ◽  
Haihang Zhao ◽  
...  

2020 ◽  
Author(s):  
María Camarasa-Gómez ◽  
Daniel Hernangómez-Pérez ◽  
Michael S. Inkpen ◽  
Giacomo Lovat ◽  
E-Dean Fung ◽  
...  

Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted<br>some interest as functional elements of molecular-scale devices. Here we investigate the impact of<br>the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction<br>conductance. Measurements indicate that the conductance of the ferrocene derivative, which is<br>suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated<br>by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.<br>


Molecules ◽  
2020 ◽  
Vol 26 (1) ◽  
pp. 106
Author(s):  
Joana N. Martins ◽  
João Carlos Lima ◽  
Nuno Basílio

To this day, the recognition and high affinity binding of biomolecules in water by synthetic receptors remains challenging, while the necessity for systems for their sensing, transport and modulation persists. This problematic is prevalent for the recognition of peptides, which not only have key roles in many biochemical pathways, as well as having pharmacological and biotechnological applications, but also frequently serve as models for the study of proteins. Taking inspiration in nature and on the interactions that occur between several receptors and peptide sequences, many researchers have developed and applied a variety of different synthetic receptors, as is the case of macrocyclic compounds, molecular imprinted polymers, organometallic cages, among others, to bind amino acids, small peptides and proteins. In this critical review, we present and discuss selected examples of synthetic receptors for amino acids and peptides, with a greater focus on supramolecular receptors, which show great promise for the selective recognition of these biomolecules in physiological conditions. We decided to focus preferentially on small synthetic receptors (leaving out of this review high molecular weight polymeric systems) for which more detailed and accurate molecular level information regarding the main structural and thermodynamic features of the receptor biomolecule assemblies is available.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Xuesong Wang ◽  
Willem Jespers ◽  
Rubén Prieto-Díaz ◽  
Maria Majellaro ◽  
Adriaan P. IJzerman ◽  
...  

AbstractThe four adenosine receptors (ARs) A1AR, A2AAR, A2BAR, and A3AR are G protein-coupled receptors (GPCRs) for which an exceptional amount of experimental and structural data is available. Still, limited success has been achieved in getting new chemical modulators on the market. As such, there is a clear interest in the design of novel selective chemical entities for this family of receptors. In this work, we investigate the selective recognition of ISAM-140, a recently reported A2BAR reference antagonist. A combination of semipreparative chiral HPLC, circular dichroism and X-ray crystallography was used to separate and unequivocally assign the configuration of each enantiomer. Subsequently affinity evaluation for both A2A and A2B receptors demonstrate the stereospecific and selective recognition of (S)-ISAM140 to the A2BAR. The molecular modeling suggested that the structural determinants of this selectivity profile would be residue V2506.51 in A2BAR, which is a leucine in all other ARs including the closely related A2AAR. This was herein confirmed by radioligand binding assays and rigorous free energy perturbation (FEP) calculations performed on the L249V6.51 mutant A2AAR receptor. Taken together, this study provides further insights in the binding mode of these A2BAR antagonists, paving the way for future ligand optimization.


Talanta ◽  
2021 ◽  
pp. 122468
Author(s):  
Yuyan Yan ◽  
Renlu Han ◽  
Yafei Hou ◽  
Huijun Zhang ◽  
Jiancheng Yu ◽  
...  

2021 ◽  
Vol 1639 ◽  
pp. 461917
Author(s):  
Xinying Zheng ◽  
Yang Qin ◽  
Xiaobing Meng ◽  
Zhengyu Jin ◽  
Liuping Fan ◽  
...  

2021 ◽  
Author(s):  
David Paul Elisa Dayanidhi ◽  
Rosaria Pinky Malapati ◽  
Vaidyanathan Vaidyanathan Ganesan

Correction for ‘Selective recognition of DNA defects by cyclometalated Ir(iii) complexes’ by David Paul Elisa Dayanidhi et al., Dalton Trans., 2019, 48, 13536–13540, DOI: 10.1039/C9DT01225G.


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