SHARPER-DOSY: Sensitivity enhanced diffusion-ordered NMR spectroscopy

Peat, George; Boaler, Patrick J.; Dickson, Claire L.; Lloyd‐Jones, Guy C.; Uhrı́n, Dušan

doi:10.1038/s41467-023-40130-2

Cited by 7 publications

(1 citation statement)

References 60 publications

(70 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This technology is widely used to determine the structure of microemulsions [ 48 ], study the effects of different components on microemulsions, and assist in constructing phase diagrams, as shown in Figure 5 [ 49 , 50 ]. Here, we explain diffusion nuclear magnetic resonance (dNMR) based on pulsed magnetic gradient techniques, especially pulsed field gradient NMR (PFG NMR) [ 51 ], pulsed-gradient spin-echo NMR (PGSE NMR) [ 52 ], and diffusion-ordered spectroscopy (DOSY) [ 53 , 54 ]. In cases where unexpected diffusion occurs in NMR samples, spatially encoded diffusion NMR (SPEN DNMR) techniques have also been developed [ 55 ].…”

Section: Microemulsion Characterization Techniquesmentioning

confidence: 99%

Advancements in Characterization Techniques for Microemulsions: From Molecular Insights to Macroscopic Phenomena

Li,

Qu,

Liu

et al. 2024

Molecules

View full text Add to dashboard Cite

Microemulsions are thermodynamically stable, optically isotropic, transparent, or semi-transparent mixed solutions composed of two immiscible solvents stabilized by amphiphilic solutes. This comprehensive review explores state-of-the-art techniques for characterizing microemulsions, which are versatile solutions essential across various industries, such as pharmaceuticals, food, and petroleum. This article delves into spectroscopic methods, nuclear magnetic resonance, small-angle scattering, dynamic light scattering, conductometry, zeta potential analysis, cryo-electron microscopy, refractive index measurement, and differential scanning calorimetry, examining each technique’s strengths, limitations, and potential applications. Emphasizing the necessity of a multi-technique approach for a thorough understanding, it underscores the importance of integrating diverse analytical methods to unravel microemulsion structures from molecular to macroscopic scales. This synthesis provides a roadmap for researchers and practitioners, fostering advancements in microemulsion science and its wide-ranging industrial applications.

show abstract

Section: Microemulsion Characterization Techniquesmentioning

confidence: 99%

Advancements in Characterization Techniques for Microemulsions: From Molecular Insights to Macroscopic Phenomena

Li,

Qu,

Liu

et al. 2024

Molecules

View full text Add to dashboard Cite

show abstract

Fast Pure Shift NMR Spectroscopy Using Attention‐Assisted Deep Neural Network

Zhan,

Liu,

Fang

et al. 2024

Advanced Science

View full text Add to dashboard Cite

Pure shift NMR spectroscopy enables the robust probing on molecular structure and dynamics, benefiting from great resolution enhancements. Despite extensive application landscapes in various branches of chemistry, the long experimental times induced by the additional time dimension generally hinder its further developments and practical deployments, especially for multi‐dimensional pure shift NMR. Herein, this study proposes and implements the fast, reliable, and robust reconstruction for accelerated pure shift NMR spectroscopy with lightweight attention‐assisted deep neural network. This deep learning protocol allows one to regain high‐resolution signals and suppress undersampling artifacts, as well as furnish high‐fidelity signal intensities along with the accelerated pure shift acquisition, benefitting from the introduction of the attention mechanism to highlight the spectral feature and information of interest. Extensive results of simulated and experimental NMR data demonstrate that this attention‐assisted deep learning protocol enables the effective recovery of weak signals that are almost drown in the serious undersampling artifacts, and the distinction and recognition of close chemical shifts even though using merely 5.4% data, highlighting its huge potentials on fast pure shift NMR spectroscopy. As a result, this study affords a promising paradigm for the AI‐assisted NMR protocols toward broader applications in chemistry, biology, materials, and life sciences, and among others.

show abstract

Diffusion NMR of Poly(acrylic acid) Solutions: Molar Mass Scaling and pH‐Induced Conformational Variation

Lenoch,

Schumacher,

Gröschel

et al. 2023

Macro Chemistry & Physics

View full text Add to dashboard Cite

Self‐diffusion of poly(acrylic acid) (PAA) in dilute solution is studied by pulsed field gradient (PFG)‐NMR, also known as DOSY, and correlated to molecular weight with scaling laws at varying pH. Fitting a diffusion coefficient distribution model to PFG‐NMR data, the molecular weight polydispersity of commercial PAA samples is quantified. Due to good agreement with GPC data, diffusion measurements offer a viable alternative to estimate chain length properties with minimal sample preparation. Similar results are achieved by dynamic light scattering (DLS), however, with lower precision. The evolution of the scaling exponent with increasing pH indicates a transition from a globular state in highly acidic conditions (ν = 0.46) to a partially stretched conformation with a maximum at pH 5 (ν = 0.67). At higher pH, counterion screening counteracts chain expansion, while an unexpected increase in the width of the diffusion coefficient distribution occurs. A universal scaling law of the diffusivity applies for a chain length range of 25 ≤ N ≤ 1585, albeit with distinctly different scaling exponents. While opposing arguments were brought forward in recent literature concerning the pH‐dependence of short chain conformations, our analysis supports the view that chain conformation is significantly affected by pH even for short chains.This article is protected by copyright. All rights reserved

show abstract

SHARPER-DOSY: Sensitivity enhanced diffusion-ordered NMR spectroscopy

Cited by 7 publications

References 60 publications

Advancements in Characterization Techniques for Microemulsions: From Molecular Insights to Macroscopic Phenomena

Advancements in Characterization Techniques for Microemulsions: From Molecular Insights to Macroscopic Phenomena

Fast Pure Shift NMR Spectroscopy Using Attention‐Assisted Deep Neural Network

Diffusion NMR of Poly(acrylic acid) Solutions: Molar Mass Scaling and pH‐Induced Conformational Variation

Contact Info

Product

Resources

About