A novel halogen bonding (XB) bis(iodotriazole)-imidazolium motif is incorporated into the axle component of a [2]rotaxane a discrete chloride anion template directed clipping methodology. H NMR anion titration experiments reveal the interlocked host is capable of strong halide and sulfate oxoanion binding in competitive aqueous-organic CDCl/CDOD/DO (45 : 45 : 10 v/v) solvent mixtures. In comparison to a hydrogen bonding rotaxane analogue, which exhibited no pronounced selectivity between Cl, I and SO, the axle iodo-triazole donor motifs of the XB rotaxane modulate the anion recognition preference towards the lighter halides Cl ≈ Br > SO > I.
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Nano Lett
January 2025
Disruptive & Sustainable Technologies for Agricultural Precision IRG, Singapore-MIT Alliance of Research and Technology, 1 CREATE Way, #03-06, Singapore 138602, Singapore.
Fluorescent nanosensors operating have shown recent success toward informing basic plant biology and agricultural applications. We developed near-infrared (NIR) fluorescent nanosensors using the Corona Phase Molecular Recognition (CoPhMoRe) technique that distinguish Fe(II) and Fe(III) species with limit of detection as low as 10 nM. An anionic poly(p-phenyleneethynylene) (PPE) polyelectrolyte wrapped single-walled carbon nanotube (SWNT) shows up to 200% turn-on and 85% turn-off responses to Fe(II) and Fe(III), respectively, allowing spatial and temporal analysis of iron uptake in both foliar and root-to-shoot pathways.
View Article and Find Full Text PDFSmall
January 2025
Department of Chemical Engineering, POSTECH, Pohang, 37673, Republic of Korea.
Liquid crystals (LCs) are widely used as promising stimuli-responsive materials due to their unique combination of liquid and crystalline properties, providing the capability to sense even molecular-scale events and amplify them into macroscopic optical outputs. However, encoding a high level of selectivity to a specific intermolecular event remains a key challenge, leading to prior studies regarding chemically functionalized LC interfaces. Herein, we propose an integrative strategy to significantly advance the design of chemo-responsive LCs through a deep fundamental understanding on the orientational coupling of LCs with new functional molecules, organic ionic plastic crystals (OIs), presented at LC interfaces.
View Article and Find Full Text PDFExtracellular vesicles (EVs) are gaining recognition as promising therapeutic carriers for immune modulation. We investigated the potential of EVs derived from HEK293FT cells to stabilize and deliver interleukin-10 (IL-10), a key anti-inflammatory cytokine. Using minicircle (MC) DNA vectors, we achieved IL-10 overexpression and efficient incorporation into EVs, yielding superior stability compared to free, recombinant IL-10 protein.
View Article and Find Full Text PDFACS Phys Chem Au
January 2025
Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, 88040-900 Florianópolis, SC, Brazil.
The present study elucidated the role of both hydrogen and halogen bonds, from an electronic structure perspective, in the anion recognition process by the [2]catenane () containing a moiety with hydrogen bond donors entangled with another macrocyclic halogen bond donor. Spherical and nonspherical anions have been employed. The roles of different σ-hole donors have also been considered.
View Article and Find Full Text PDFHeliyon
January 2025
Department of Bioinformatics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, India.
The myeloid-specific triggering receptors expressed on myeloid cells 2 (TREM2) is a group of class I receptors expressed in brain microglia plays a decisive role in neurodegenerative diseases such as Alzheimer's disease (AD) and Nasu Hakola disease (NHD). The extracellular domain (ECD) of TREM2 interacts with a wide-range of ligands, yet the molecular mechanism underlying recognition of such ligands to this class I receptor remains underexplored. Herein, we undertook a systematic investigation for exploring the mode of ligand recognition in immunoglobulin-like ectodomain by employing both knowledge-based and machine-learning guided molecular docking approach followed by the state-of-the-art all atoms molecular dynamics (MD) simulations.
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