Diffusion-Based Studies of Aggregation, Binding and Conformation of Biomolecules: Theory and Practice

DNA Intercalators in Cancer Therapy: Organic and Inorganic Drugs and Their Spectroscopic Tools of Analysis

“…In these experiments, which can be performed at micromolar concentrations, the 15 N-chemical shift is influenced strongly by the ligand in the trans-position to the proton being monitored (in cisplatin-or transplatinlike compounds this would be an NH 2 group), and therefore chloro, aqua, hydroxy and nucleoside coordination resonances can be clearly resolved [182]. PGSE (also commonly referred to as diffusion-ordered spectroscopy or DOSY) is the most common method for measuring the diffusion of small molecules through solution and studying drug binding to proteins and DNA [192][193][194][195]. PGSE (also commonly referred to as diffusion-ordered spectroscopy or DOSY) is the most common method for measuring the diffusion of small molecules through solution and studying drug binding to proteins and DNA [192][193][194][195].…”

“…PGSE (also commonly referred to as diffusion-ordered spectroscopy or DOSY) is the most common method for measuring the diffusion of small molecules through solution and studying drug binding to proteins and DNA [192][193][194][195]. The basis of using diffusion measurements to probe such systems relies on the ability to separate the different species based on their diffusion coefficients, in the case of binding studies, on the exchange between free and bound states which modifies the observed diffusion coefficient [194]. The basis of using diffusion measurements to probe such systems relies on the ability to separate the different species based on their diffusion coefficients, in the case of binding studies, on the exchange between free and bound states which modifies the observed diffusion coefficient [194].…”

Diffusion Coefficient of Cucurbit[n]urils (n = 6 or 7) at Various Concentrations, Temperatures, and pH

“…Previously, it has been shown that encapsulation by CB[7] greatly reduces the rate at which the drugs diffuse . The diffusion coefficient ( D /m 2 ·s −1 ) of CB[ n ] and its host−guest complexes can be effectively measured using pulsed gradient spin−echo nuclear magnetic resonance (PGSE NMR) spectroscopy . The easiest and most commonly used technique for measuring CB[ n ] self-diffusion is diffusion nuclear magnetic resonance spectroscopy, and the most frequently used experiments are pulsed gradient spin−echo (PGSE) pulse sequences. , In this paper, we report the diffusion coefficients of CB[6] and CB[7] in D 2 O and 90 % H 2 O/10 % D 2 O that were measured using PGSE NMR at different temperatures, concentrations, and pH.…”

Direct insight into insulin aggregation by 2D NMR complemented by PFGSE NMR

“…(2) in Model 2). where D is the diffusion coefficient of the monomer at infinite dilution, f is a correction term for the nonspherical shape of each oligomer, and the (2 i ) −1 / 3 factor11 reflects the reduction of the diffusion coefficient for higher oligomers 7. Hydrodynamic properties of each oligomer were considered using program HYDROPRO Version 7.C43 to calculate theoretical diffusion coefficient for each oligomer.…”

“…Pioneering NMR information on the aggregation state of insulin comes from the works of Dunn and coworkers5 and Brange and coworkers 6. Recently, PFGSE NMR spectroscopy has emerged as a useful tool to study the aggregation behavior of peptides and proteins, based on the fact that the hydrodynamic radius of a biomolecule can be linked to its translational diffusion coefficient D t , obtained from this experiment 7–14…”