13C Saturation-Transfer Difference (STD)-NMR Experiments Using INEPT Polarization Transfer

Xu, Hui; Lustig, Danielle; Casabianca, Leah B.

doi:10.1007/s00723-019-01182-0

Cited by 6 publications

(3 citation statements)

References 12 publications

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“…Many field − and laboratory − studies have been undertaken in order to quantify the amount and types of small molecule xenobiotics interacting with plastic in the environment, yet few studies are aimed at understanding the mechanism of sorption. However, NMR spectroscopy is a powerful technique for atomic-level structure determination, and has been extensively used to study small molecules interacting with nanoparticles in both the solid state − and solution state. − Different NMR experiments can provide complementary information about nanoparticle-small molecule binding, leading to an overall picture of the binding mechanism. This understanding is important in developing structure–activity relationships for binding between small molecules and large plastic particles.…”

Section: Introductionmentioning

confidence: 99%

Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR

et al. 2022

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Elucidating the interactions between plastic nanoparticles and small molecules is important to understanding these interactions as they occur in polluted waterways. For example, plastic that breaks down into micro-and nanoscale particles will interact with small molecule pollutants that are also present in contaminated waters. Other components of natural water, such as dissolved organic matter, will also influence these interactions. Here we use a collection of complementary NMR techniques to examine the binding between polystyrene nanoparticles and three common antibiotics, belonging to a class of molecules that are expected to be common in polluted water. Through examination of proton NMR signal intensity, relaxation times, saturation-transfer difference (STD) NMR, and competition STD-NMR, we find that the antibiotics have binding strengths in the order amoxicillin < metronidazole ≪ levofloxacin. Levofloxacin is able to compete for binding sites, preventing the other two antibiotics from binding. The presence of tannic acid disrupts the binding between levofloxacin and the polystyrene nanoparticles, but does not influence the binding between metronidazole and these nanoparticles.

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Section: Introductionmentioning

confidence: 99%

Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR

et al. 2022

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“…In this and our previous work 31 – 34 , we use a ligand-detected NMR technique called Saturation-Transfer Difference (STD)-NMR 35 , 36 to indirectly probe ligand binding on a nanoparticle surface. The STD-NMR experiment requires collecting two spectra, an off-resonance spectrum and an on-resonance spectrum.…”

Section: Introductionmentioning

confidence: 99%

Probing driving forces for binding between nanoparticles and amino acids by saturation-transfer difference NMR

Casabianca

2020

Sci Rep

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As nanotechnology becomes increasingly used in biomedicine, it is important to have techniques by which to examine the structure and dynamics of biologically-relevant molecules on the surface of engineered nanoparticles. Previous work has shown that Saturation-Transfer Difference (STD)-NMR can be used to explore the interaction between small molecules, including amino acids, and the surface of polystyrene nanoparticles. Here we use STD-NMR to further explore the different driving forces that are responsible for these interactions. Electrostatic effects are probed by using zwitterionic polystyrene beads and performing STD-NMR experiments at high, low, and neutral pH, as well as by varying the salt concentration and observing the effect on the STD buildup curve. The influence of dispersion interactions on ligand-nanoparticle binding is also explored, by establishing a structureactivity relationship for binding using a series of unnatural amino acids with different lengths of hydrophobic side chains. these results will be useful for predicting which residues in a peptide are responsible for binding and for understanding the driving forces for binding between peptides and nanoparticles in future studies.

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“…In recent years, various nuclear magnetic resonance (NMR) spectroscopy experiments have been developed to gain insight into structural information regarding small molecules and proteins on the surface of NPs. − NMR experiments are nondestructive and can provide atomic-level resolution. These experiments include measuring diffusion coefficients , of free and bound ligands using either pulsed-field gradient or diffusion-ordered spectroscopy (DOSY) experiments, exploiting the different relaxation times in free and bound ligands, − ,− methods that exploit different rotational correlation times between the small ligand and large receptor such as NOESY and waterLOGSY, , and methods that rely on saturation transfer such as saturation-transfer difference (STD)-NMR and dark-state exchange saturation transfer (DEST). ,, STD-NMR , is particularly effective to probe ligand binding on an NP surface. − In each STD-NMR experiment, two spectra, one on-resonance and one off-resonance spectrum, are collected. The difference between these two spectra is the location of the saturation frequency.…”

Section: Introductionmentioning

confidence: 99%

Dual Fluorescence and NMR Study for the Interaction between Xanthene Dyes and Nanoparticles

Casabianca

2020

Langmuir

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Fluorescent dyes and nanoparticles (NPs) have been widely used together to make novel biosensors, taking advantage of their unique characteristics. It is crucial to have techniques that enable us to gain detailed and high-resolution information regarding the interaction between NPs and fluorescent dyes. In this work, we chose rhodamine B (RhB) and amidine-and carboxylate-modified polystyrene (CML) NPs as models and employed both NMR ( 1 H and STD-NMR) and optical (UV−vis and fluorescence) techniques to investigate the interaction between NPs and fluorescent dyes. From UV−vis and fluorescence spectroscopy, we see that there are larger red shifts when rhodamine B binds to carboxylate-modified polystyrene NPs than amidine-modified NPs. Correspondingly, RhB has broader NMR peaks and a larger STD effect when binding to CML NPs than amidine NPs. Results from these two techniques validate each other. It is notable that the NMR techniques provide more reliable data than UV−vis and fluorescence methods. Moreover, we show that NMR techniques, especially STD-NMR, can provide more atomic-level binding geometry information. The higher STD effect of the smaller aromatic ring of RhB implies that this aromatic ring is closer to the surface of NPs when binding to polystyrene NPs.

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13C Saturation-Transfer Difference (STD)-NMR Experiments Using INEPT Polarization Transfer

Cited by 6 publications

References 12 publications

Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR

Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR

Probing driving forces for binding between nanoparticles and amino acids by saturation-transfer difference NMR

Dual Fluorescence and NMR Study for the Interaction between Xanthene Dyes and Nanoparticles

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