Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Observing Host-Guest Interactions at Molecular Interfaces by Monitoring the Electrochemical Current.

ABSTRACT: Macrocyclic cucurbit[n]uril (CB[n]) molecules have triggered renewed interest because of their outstanding capabilities as host molecules to selectively interact with a wide range of small guest molecules. Here, CB[7]-based host-guest interactions were investigated for a guest-modified nanoelectrode by monitoring the electrochemical current. A ferrocene (Fc)-terminated molecule immobilized on a gold nanoelectrode (GNE) showed suitable affinity with CB[7] when the effective exposing area of the GNE was between 5.3 and 12 ?m2 and the bias applied on the GNE was -500 mV. Monitoring the dynamics of nanoparticles (NPs) on a nanoelectrode provides new insights into the host-guest interactions at molecular interfaces.

SUBMITTER: Ai Q

PROVIDER: S-EPMC7227043 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Observing Host-Guest Interactions at Molecular Interfaces by Monitoring the Electrochemical Current.

Ai Qiushuang Q Jin Lunqiang L Gong Zhengjie Z Liang Feng F

ACS omega 20200430 18

Macrocyclic cucurbit[n]uril (CB[n]) molecules have triggered renewed interest because of their outstanding capabilities as host molecules to selectively interact with a wide range of small guest molecules. Here, CB[7]-based host-guest interactions were investigated for a guest-modified nanoelectrode by monitoring the electrochemical current. A ferrocene (Fc)-terminated molecule immobilized on a gold nanoelectrode (GNE) showed suitable affinity with CB[7] when the effective exposing ...[more]

PMID: 32426616

Similar Datasets

Size compatibility and concentration dependent supramolecular host-guest interactions at interfaces.

Project description:The quantification of supramolecular host-guest interactions is important for finely modulating supramolecular systems. Previously, most host-guest interactions quantified using force spectroscopic techniques have been reported in force units. However, accurately evaluating the adhesion energies of host-guest pairs remains challenging. Herein, using a surface forces apparatus, we directly quantify the interaction energies between cyclodextrin (CD)-modified surfaces and ditopic adamantane (DAd) molecules in water as a function of the DAd concentration and the CD cavity size. The adhesion energy of the β-CD-DAd complex drastically increased with increasing DAd concentration and reached saturation. Moreover, the molecular adhesion energy of a single host-guest inclusion complex was evaluated to be ~9.51 kBT. This approach has potential for quantifying fundamental information toward furthering the understanding of supramolecular chemistry and its applications, such as molecular actuators, underwater adhesives, and biosensors, which require precise tuning of specific host-guest interactions.

| S-EPMC8748952 | biostudies-literature

Multiaddressable molecular rectangles with reversible host-guest interactions: modulation of pH-controlled guest release and capture.

Project description:A series of multiaddressable platinum(II) molecular rectangles with different rigidities and cavity sizes has been synthesized by endcapping the U-shaped diplatinum(II) terpyridine moiety with various bis-alkynyl ligands. The studies of the host-guest association with various square planar platinum(II), palladium(II), and gold(III) complexes and the related low-dimensional gold(I) complexes, most of which are potential anticancer therapeutics, have been performed. Excellent guest confinement and selectivity of the rectangular architecture have been shown. Introduction of pH-responsive functionalities to the ligand backbone generates multifunctional molecular rectangles that exhibit reversible guest release and capture on the addition of acids and bases, indicating their potential in controlled therapeutics delivery on pH modulation. The reversible host-guest interactions are found to be strongly perturbed by metal-metal and ?-? interactions and to a certain extent, electrostatic interactions, giving rise to various spectroscopic changes depending on the nature of the guest molecules. Their binding mode and thermodynamic parameters have been determined by 2D NMR and van't Hoff analysis and supported by computational study.

| S-EPMC4311808 | biostudies-other

Host-guest interactions in nor-seco-cucurbit[10]uril: novel guest-dependent molecular recognition and stereoisomerism.

Project description:The unique monomer and excimer fluorescence emissions of pyrene were first exploited as distinctly photophysical signals to identify the possible diastereomers of guests within nor-seco-cucurbit[10]uril (NS-CB[10]) cavities. Further experiments revealed that balancing the hydrophilic and hydrophobic effects of the guest in aqueous solution can improve the molecular recognition and binding ability of NS-CB[10].

| S-EPMC6664405 | biostudies-literature

Paramagnetic NMR investigation of dendrimer-based host-guest interactions.

Project description:In this study, the host-guest behavior of poly(amidoamine) (PAMAM) dendrimers bearing amine, hydroxyl, or carboxylate surface functionalities were investigated by paramagnetic NMR studies. 2,2,6,6-Tetramethylpiperidinyloxy (TEMPO) derivatives were used as paramagnetic guest molecules. The results showed that TEMPO-COOH significantly broaden the ¹H NMR peaks of amine- and hydroxyl-terminated PAMAM dendrimers. In comparison, no paramagnetic relaxation enhancement (PRE) was observed between TEMPO-NH?, TEMPO-OH and the three types of PAMAM dendrimers. The PRE phenomenon observed is correlated with the encapsulation of TEMPO-COOH within dendrimer pockets. Protonation of the tertiary amine groups within PAMAM dendrimers plays an important role during this process. Interestingly, the absence of TEMPO-COOH encapsulation within carboxylate-terminated PAMAM dendrimer is observed due to the repulsion of TEMPO-COO- anion and anionic dendrimer surface. The combination of paramagnetic probes and ¹H NMR linewidth analysis can be used as a powerful tool in the analysis of dendrimer-based host-guest systems.

| S-EPMC3677888 | biostudies-literature

COVID-19 prevention in hotels: Ritualized host-guest interactions.

Project description:As COVID-19 prevention efforts have become normalized, conflicts between guests and hotel staff, who must adhere to government protocols, can have a serious impact on host-guest interactions. Drawing on interaction ritual chain theory, this research explores the ritualized mechanism of host-guest interactions during the pandemic from the perspectives of staff and guests. By combining video ethnography and interviews, this study identifies the ritual ingredients, processes, outcomes, and collective symbols of COVID-19 prevention measures. Based on the attitudes and performance paths of staff and guests, the interaction chain may become longer or shorter, and result in guests becoming "insiders" or "outsiders" and leaving the interaction space. An integrated model of host-guest interactions based on interaction ritual theory is proposed.

| S-EPMC8853753 | biostudies-literature

Unveiling host-guest-solvent interactions in solution by identifying highly unstable host-guest configurations in thermal non-equilibrium gas phase.

Project description:We propose a novel scheme of examining the host-guest-solvent interactions in solution from their gas phase structures. By adopting the permethylated β-cyclodextrin (perm β-CD)-protonated L-Lysine non-covalent complex as a prototypical system, we present the infrared multiple photon dissociation (IRMPD) spectrum of the gas phase complex produced by electrospray ionization technique. In order to elucidate the structure of perm β-CD)/LysH+ complex in the gas phase, we carry out quantum chemical calculations to assign the two strong peaks at 3,340 and 3,560 cm-1 in the IRMPD spectrum, finding that the carboxyl forms loose hydrogen bonding with the perm β-CD, whereas the ammonium group of L-Lysine is away from the perm β-CD unit. By simulating the structures of perm β-CD/H+/L-Lysine complex in solution using the supramolecule/continuum model, we find that the extremely unstable gas phase structure corresponds to the most stable conformer in solution.

| S-EPMC9114120 | biostudies-literature

Host-Guest Interactions between Calixarenes and Cp(2)NbCl(2).

Project description:The possible inclusion complexes of Cp(2)NbCl(2) into calixarenes hosts have been investigated. The existence of a true inclusion complex in the solid state was confirmed by a combination of NMR, ab-initio calculations, thermogravimetric analysis, FTIR, Raman and PXRD. Ab-initio calculations, (1)H NMR solution and solid state (13)C CP MAS NMR results demonstrated that p-sulfonic calix[6]arene does form an inclusion complex with Cp(2)NbCl(2). Raman spectroscopy showed, for the inclusion compound of p-sulfonic calix[6]arene-Cp(2)NbCl(2), a band between 500-850 cm(-1) characteristic of Nb-O vibration. This result suggests that Nb(V) may engage in coordination with the oxygen of the sulfonate group, as part of the host-guest interaction. However, it is important to mention that the niobocene dichloride (Cp(2)NbCl(2)) dissolves in water and undergoes oxidation and hydrolysis processes to yield Cp(2)NbCl(2)(OH) species. For that reason this band does not exclude that the Nb-O band belongs to Cp(2)NbCl(2)(OH). Solid State (13)C CP MAS NMR and solution (1)H NMR spectroscopies together with ab-initio results showed that Cp(2)NbCl(2) is included in the p-sulfonic calix[6]arene cavity, with both Cp rings inside the cavity. In contrast, the solution (1)H NMR results demonstrated that calix[6]arene does not form inclusion complex with Cp(2)NbCl(2) in CDCl(3) solution. Cp(2)NbCl(2) is not included in the calix[6]arene cavity, possibly due to the lack of sulfonate heads which promote Nb-O interactions and assist the inclusion of Cp(2)NbCl(2) into the cavity.

| S-EPMC3119540 | biostudies-literature

Mass spectrometric detection of nanoparticle host-guest interactions in cells.

Project description:Synthetic host-guest chemistry is a versatile tool for biomedical applications. Characterization and detection of host-guest complexes in biological systems, however, is challenging due to the complexity of the biological milieu. Here, we describe and apply a mass spectrometric method to monitor the association and dissociation of nanoparticle (NP)-based host-guest interactions that integrates NP-assisted laser desorption/ionization (LDI) and matrix assisted laser desoption/ionization (MALDI) mass spectrometry. This LDI/MALDI approach reveals how NP surface functionality affects host-guest interactions in cells, information difficult to achieve using other techniques.

| S-EPMC4082387 | biostudies-literature

Thermodynamics of host-guest interactions between fullerenes and a buckycatcher.

Project description:(1)H NMR and isothermal titration calorimetry (ITC) experiments were employed to obtain reliable thermodynamic data for the formation of the 1:1 inclusion complexes of fullerenes C(60) and C(70) with the buckycatcher (C(60)H(28)). NMR measurements were done in toluene-d8 and chlorobenzene-d5 at 288, 298, and 308 K, while the ITC titrations were performed in toluene, chlorobenzene, o-dichlorobenzene, anisole, and 1,1,2,2-tetrachloroethane at temperatures from 278 to 323 K. The association constants, K(a), obtained with both techniques are in very good agreement. The thermodynamic data obtained by ITC indicate that generally the host-guest association is enthalpy-driven. Interestingly, the entropy contributions are, with rare exceptions, slightly stabilizing or close to zero. Neither ?H nor ?S is constant over the temperature range studied, and these thermodynamic functions exhibit classical enthalpy/entropy compensation. The ?Cp values calculated from the temperature dependence of the calorimetric ?H values are negative for the association of both fullerenes with the buckycatcher in toluene. The negative ?Cp values are consistent with some desolvation of the host-cavity and the guest in the inclusion complexes, C(60)@C(60)H(28) and C(70)@C(60)H(28).

| S-EPMC4199543 | biostudies-literature

Isotopic Consequences of Host-Guest Interactions; Noncovalent Chlorine Isotope Effects.

Project description:Although weak intermolecular interactions are the essence of most processes of key importance in medicine, industry, environment, and life cycles, their characterization is still not sufficient. Enzymatic dehalogenations that involve chloride anion interaction within a host-guest framework is one of the many examples. Recently published experimental results on host-guest systems provided us with models suitable to assess isotopic consequences of these noncovalent interactions. Herein, we report the influence of environmental and structural variations on chlorine isotope effects. We show that these effects, although small, may obscure mechanistic interpretations, as well as analytical protocols of dehalogenation processes.

| S-EPMC8023698 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data