Article
Biochemistry & Molecular Biology
Danuta Kruk, Elzbieta Masiewicz, Sylwia Lotarska, Roksana Markiewicz, Stefan Jurga
Summary: The spin-lattice relaxation experiments of butyltriethylammonium bis(trifluoromethanesulfonyl)imide were analyzed in terms of relaxation pathways associated with different dipole-dipole interactions, revealing differences in translational diffusion coefficients between ions, especially at high temperatures. Moreover, correlation effects were observed in the translational dynamics of cation-cation pairs, becoming more pronounced at lower temperatures.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Danuta Kruk, Elzbieta Masiewicz, Sylwia Lotarska, Roksana Markiewicz, Stefan Jurga
Summary: H-1 spin-lattice relaxation experiments were conducted on a series of ionic liquids containing different alkyl chain lengths of bis(trifluoromethanesulfonyl)imide anion and cations. The results provided insights into the rotational and translational dynamics of the cations in comparison to molecular liquids, indicating a temperature-dependent ratio between the correlation times of these motions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Danuta Kruk, Mariusz Jancelewicz, Adam Klimaszyk, Roksana Markiewicz, Zbigniew Fojud, Stefan Jurga
Summary: H-1 and F-19 spin-lattice relaxation experiments were conducted on a series of ionic liquids with the same anion but different cations of varying alkyl chain lengths. Two dynamical processes were identified for both types of ions, and their temperature evolution was successfully modeled using the Arrhenius law.
Article
Biochemistry & Molecular Biology
Baris Ozel, Danuta Kruk, Milosz Wojciechowski, Maciej Osuch, Mecit Halil Oztop
Summary: In this study, whey protein isolate-based composite hydrogels with encapsulated black carrot extract were prepared through heat-induced gelation. The use of gum tragacanth, pectin, and xanthan gum polysaccharides in the hydrogels was found to modulate their properties. H-1 spin-lattice relaxation experiments were conducted to analyze the influence of different polysaccharides and black carrot on the dynamic properties of water molecules in the hydrogel network, revealing highly anisotropic translation diffusion.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Multidisciplinary Sciences
M. Gombotz, K. Hogrefe, R. Zettl, B. Gadermaier, H. Martin R. Wilkening
Summary: Nuclear magnetic resonance is a valuable tool for analyzing ionic jump processes in solids and shedding light on rapid diffusion in materials relevant for energy storage. Processes involving Li+ ions in compounds with strong site preferences may lead to slow diffusion, while the loss of site preference can result in rapid cation diffusion, similar to glassy materials. This effect is also seen in other materials such as cation-mixed fluorides and garnets.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Danuta Kruk, Elzbieta Masiewicz, Karol Kolodziejski, Roksana Markiewicz, Stefan Jurga
Summary: In this study, F-19 nuclear magnetic resonance spin-lattice relaxation experiments were conducted to analyze the relative translation diffusion coefficients between cations and anions in different ionic liquids. The results showed a correlation in the translation movement between the anions and cations with shorter alkyl chains, while the correlation between the anions and cations with longer alkyl chains was weaker.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Review
Chemistry, Multidisciplinary
Florence Franconi, Laurent Lemaire, Jean-Christophe Gimel, Samuel Bonnet, Patrick Saulnier
Summary: NMR-based diffusion methods are valuable tools for nanomedicine characterization and understanding interactions with the biological environment. They provide insights into diffusion phenomena and measurement of self-diffusion and mutual diffusion coefficients. NMR diffusometry spectroscopic and imaging methods have broad applications in nanomedicine, aiding in elucidating important issues.
JOURNAL OF CONTROLLED RELEASE
(2021)
Article
Chemistry, Analytical
Lei Huang, Xin Wang
Summary: A novel and accurate method for detecting Bisphenol A (BPA) in water was developed using an aptamer-functionalized magnetic relaxation switch (MRS) sensor. By optimizing the concentration of Fe3O4@SiO2 similar to Apt NPs, incubation times, and pH of the detection system, the sensor successfully achieved sensitive analysis of BPA with a detection range of 10 ng/mL to 100 ng/mL and a limit of detection of 2.9 ng/mL.
MICROCHEMICAL JOURNAL
(2021)
Article
Quantum Science & Technology
Nicolas Staudenmaier, Anjusha Vijayakumar-Sreeja, Santiago Oviedo-Casado, Genko Genov, Daniel Cohen, Daniel Dulog, Thomas Unden, Nico Striegler, Alastair Marshall, Jochen Scheuer, Christoph Findler, Johannes Lang, Ilai Schwartz, Philipp Neumann, Alex Retzker, Fedor Jelezko
Summary: Diffusion noise is the main cause of spectral line broadening in liquid-state nano-scale nuclear magnetic resonance with shallow nitrogen-vacancy centers, resulting in limited resolution. However, a more accurate analysis of diffusion reveals that correlations persist for a longer time at the nano-scale, allowing for improved resolution and challenging our understanding of diffusion. Through experiments using different setups and measurement techniques, we provide overwhelming evidence of power-law decay of correlations, leading to sharp-peaked spectral lines where diffusion broadening is no longer a limitation to resolution.
NPJ QUANTUM INFORMATION
(2022)
Article
Chemistry, Multidisciplinary
Sofia Marchesini, Keith R. Paton, Barry Brennan, Piers Turner, Andrew J. Pollard
Summary: Nanomaterials have a high surface-area-to-mass ratio, making surface properties crucial for product performance optimization. Characterizing nanoscale surfaces is challenging, especially in liquid dispersions, but nuclear magnetic resonance proton relaxation can quickly characterize the surface chemistry of graphitic materials.
Article
Chemistry, Analytical
Lei Huang, Kaili Pei, Xin Wang
Summary: A simple and effective graphene oxide-magnetic relaxation switch sensor was designed for the detection of acetamiprid. The sensor combines graphene oxide and aptamer-modified poly-L-lysine-Fe3O4 nanoparticles, which act as a relaxation signal probe. The sensor exhibits a wide working range and a low detection limit, with spiked recoveries ranging from 96.54% to 103.17%.
Article
Multidisciplinary Sciences
Pamela Wochner, Torben Schneider, Jason Stockmann, Jack Lee, Ralph Sinkus
Summary: Diffusion MRI encodes the diffusion of water molecules by using linearly varying gradient fields. However, when a quadratic gradient field is used, the diffusion in anisotropic media leads to changes in phase and preserves a large portion of the signal. This study confirmed the phase change in anisotropic fiber phantoms through simulations and MR experiments, which aligned with the predicted analytic model.
Article
Chemistry, Physical
Natalia Diaz, Dimas Suarez
Summary: This study demonstrates the accuracy of estimating the entropy of flexible molecules using a partitioning approach based on rigid-rotor-harmonic-oscillator (RRHO) entropy and Gibbs-Shannon entropy. By employing discretization and expansion techniques that capture the correlation effects among torsional motions, the entropy of single molecules of varying sizes can be accurately computed. Extensive sampling, such as classical molecular dynamics simulations, is crucial for reliable entropy estimation.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Physics, Condensed Matter
Ashish Kumar Mall, A. K. Pramanik
Summary: This manuscript reports Y-89 NMR measurements on single phase and pure polycrystalline YCrO3 samples to study magnetism and relaxation times during the magnetic transition from paramagnetic to antiferromagnetic state. The results show abrupt broadening of NMR peak width and slight decrease in peakshift at T-N, followed by a slight increase and subsequent anomalous decrease in NMR peak intensity. The Y-89 NMR spin-lattice relaxation rates indicate a magnetic phase transition at T-N, with fluctuations below T-N and low energy spin fluctuations above T-N. Additionally, Knight shift and 1/T1T scale linearly with bulk susceptibility, suggesting antiferromagnetic spin fluctuations in the YCrO3 system.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Chemistry, Multidisciplinary
Chang Qi, Yunyi Wang, Christian Hilty
Summary: Nuclear spin relaxation dispersion parameters can serve as indicators of the binding mode of a ligand to a protein. Hyperpolarization techniques, such as dissolution dynamic nuclear polarization, can provide signal enhancement without the need for isotope enrichment, offering an alternative method for determining ligand binding modes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Geochemistry & Geophysics
Keelan T. O'Neill, Dean Langford, Einar O. Fridjonsson, Michael L. Johns
Summary: The use of nuclear magnetic resonance (NMR) techniques is limited by internal magnetic field gradients caused by differences in magnetic susceptibility at solid-fluid interfaces. We introduce a new model called the multiregime model to better capture diffusive behavior in iron ore rock samples. The multiregime model provides insight into the different diffusive regimes and helps understand the influence of diffusive decay on measurement accuracy.
GEOPHYSICAL JOURNAL INTERNATIONAL
(2023)
Article
Energy & Fuels
Keelan T. O'Neill, Saif Al Ghafri, Bruno da Silva Falcao, Liangguang Tang, Karen Kozielski, Michael L. Johns
Summary: Liquid hydrogen is a potential storage medium for large-scale hydrogen transportation. The operation of cryogenic plate-fin heat exchangers in hydrogen liquefaction is explored, considering the coupled processes of spin-isomer conversion, heat transfer, and pressure loss.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2023)
Article
Environmental Sciences
Mitra Golgoli, Tushar Kanti Sen, Mehdi Khiadani, Amir Razmjou, Michael L. Johns, Masoumeh Zargar
Summary: This study focuses on the fouling of forward osmosis (FO) membranes by microplastics (MPs) of different sizes, and the interactional impacts of MPs and humic acid (HA) on FO membrane performance. The presence of MPs and HA together causes a higher decline in flux for FO membranes than when either HA or MPs are present alone. The reverse salt flux increases in the presence of MPs and decreases when HA is present. All fouled membranes recover their full flux after hydraulic cleaning, indicating the efficiency of FO systems for treating wastewater with high fouling potential. This study highlights the necessity of considering MPs in studying fouling behavior and mitigation strategies for membranes used in wastewater treatment.
Article
Chemistry, Physical
Saif ZS. Al Ghafri, Caitlin Revell, Mauricio Di Lorenzo, Gongkui Xiao, Craig E. Buckley, Eric F. May, Michael Johns
Summary: A comprehensive techno-economic assessment demonstrates the viability of a complete hydrogen supply chain based on the transport of liquefied natural gas (LNG), which can significantly reduce CO2 emissions and meet targeted hydrogen supply costs up to 2050. Steam methane reforming (SMR) with carbon capture and storage (CCS) is the most cost-effective and has the lowest CO2 emission intensity among the assessed hydrogen production technologies. Future technologies and strategies can further reduce cost and supply chain emissions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Environmental
Bin Yan, Bastiaan Blankert, Sarah J. Vogt, Johannes S. Vrouwenvelder, Michael L. Johns, Einar O. Fridjonsson
Summary: This study used non-invasive low field magnetic resonance imaging (MRI) technology to monitor the changes in fiber-by-fiber hydrodynamics caused by fouling in a multi-fiber hollow fiber membrane module. It was shown that fouling evolution in these modules exhibited distinct trends in fiber-by-fiber volumetric flow, with increasing fouling leading to a decrease in the number of flow active fibers. The study also revealed a fouling memory-like effect, with residual fouling occurring preferentially at the outer edge of the fiber bundle during repeated fouling-cleaning cycles. MRI velocity imaging was found to be able to quantitatively monitor these effects, which are important for testing cleaning protocols and the long term operation of membrane modules.
Article
Engineering, Chemical
Mohd Zaki Z. Abidin, Zachary M. Aman, Eric F. May, Michael L. Johns, Xia Lou
Summary: This study investigates the synergistic effect of combining under-inhibited monoethylene glycol (MEG) with synthetic surfactants (AA) on hydrate dispersion stability. It is found that under-inhibited MEG may lead to hydrate agglomeration due to unconverted water, while AA improves the stability of hydrate dispersion. Differential scanning calorimeter is used to measure hydrate dispersion stability, showing gradual reduction in integrated area of hydrate dissociation curves during repeated cycles. Surfactants, whether natural or synthetic, can prevent water droplets from coalescing and hydrate particles from aggregating.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Chemistry, Physical
Kaishuo Yang, Sam Kobeissi, Nicholas Ling, Ming Li, Lionel Esteban, Eric F. May, Michael L. Johns
Summary: Electrolysis and underground hydrogen storage are potential options for overcoming energy fluctuations from renewable sources. This study developed a methodology for measuring dispersion coefficient (KL) between hydrogen and nitrogen in a Berea sandstone at 50 bar. The results showed that hydrogen-nitrogen dispersion data can be determined and validated using bench-top nuclear magnetic resonance (NMR), demonstrating the feasibility of the methodology for underground hydrogen storage simulations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Physics, Multidisciplinary
Neil Robinson, Razyq Nasharuddin, Einar O. Fridjonsson, Michael L. Johns
Summary: We observe an unexpected decay-recovery behavior in the time-dependent 1H NMR relaxation times of confined water in a porous material. The combined effects of decreasing pore size and evolving interfacial chemistry rationalize our observations, leading to a transition between surface-limited and diffusion-limited relaxation regimes. This behavior highlights the necessity of considering temporally evolving surface relaxivity in the interpretation of NMR relaxation data from complex porous systems.
PHYSICAL REVIEW LETTERS
(2023)
Article
Physics, Atomic, Molecular & Chemical
Ella R. Shilliday, Brenda Lam, Jingsi Chen, Mark Fear, Michael L. Johns, Paul L. Stanwix
Summary: In this work, single-sided, low-field nuclear magnetic resonance (NMR) was used to analyze the thickness and collagen structure of healthy and scarred skin. T-2 relaxation profiles quantification of porcine skin thickness was as accurate as standard histological techniques. The technique effectively identified different types of scar and differences in thickness between moderate hypertrophic scars and healthy skin.
APPLIED MAGNETIC RESONANCE
(2023)
Article
Engineering, Environmental
Sahar Ghasemi, Bin Yan, Masoumeh Zargar, Nicholas N. A. Ling, Einar O. Fridjonsson, Michael L. Johns
Summary: In order to efficiently remove microplastics (MPs) during wastewater treatment processes, ultrafiltration (UF) membranes can be used to increase the removal of MPs. However, the fouling of these membranes can also be affected by the presence of MPs. Magnetic Resonance Imaging (MRI) was used to measure the accumulation of polyethylene (PE) MPs in a 3D UF hollow fiber (HF) membrane module and investigate their impact on fouling. The study found that MPs fouling can be easily remedied by hydraulic cleaning, while alginate fouling requires chemical cleaning for complete restoration of flow distribution. The presence of both MPs and alginate resulted in a more heterogeneous disruption of flow distribution and more effective hydraulic cleaning.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Bin Yan, Sarah J. Vogt, Bastiaan Blankert, Johannes Vrouwenvelder, Michael L. Johns, Einar O. Fridjonsson
Summary: Low magnetic field NMR technology is used to detect fouling in multi-fiber hollow fiber membrane modules during a fouling-cleaning cycle. The coherence signal magnitude is strongly correlated with the number of fouled fibers, providing a high sensitivity early warning and monitoring the efficiency of cleaning.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Astronomy & Astrophysics
Keelan T. O'Neill, Einar O. Fridjonsson, Declan Smeed, Timothy A. J. Hopper, Michael L. Johns
Summary: Water is crucial for future space exploration and development of planetary bodies. Benchtop nuclear magnetic resonance (NMR) is a geophysical technique with the potential to identify and characterize water resources on celestial bodies like the Moon and Mars. In this study, NMR measurements were conducted on Lunar and Martian regolith simulants using two main pulse sequences. The results demonstrated the ability of NMR to probe the pore size and particle size distribution of the simulants, as well as quantify fluid volumes and moisture content within the porous media. The measurements provide insights for potential future developments of NMR systems for space exploration.
Article
Energy & Fuels
E. R. Shilliday, N. N. A. Ling, E. O. Fridjonsson, B. F. Graham, M. L. Johns
Summary: The role of pH in the stabilisation of water-in-crude oil emulsions is unclear in the literature. This study reveals that stable emulsion formation is prevented at a specific pH when inorganic acids and crude oils with low asphaltene contents are used. The prevention coincides with increased partitioning of metal cations and total organic content in the aqueous phase, highlighting the importance of malonic acid in the demulsification process.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Engineering, Environmental
Nasir Khan, Asheesh Kumar, Michael L. Johns, Eric F. May, Zachary M. Aman
Summary: In this study, the hydrate anti-agglomerating characteristics of 2-butoxyethanol (BGE) were investigated. The results showed that BGE could reduce the oil-water interfacial tension, enhance the kinetics of methane hydrate formation, and prevent agglomeration. This study provides new insights into the development of new anti-agglomerant chemistries.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Analytical
Yuki Rhee, Ella R. R. Shilliday, Yevgen Matviychuk, Thien Nguyen, Neil Robinson, Daniel J. J. Holland, Paul R. J. Connolly, Michael L. L. Johns
Summary: High field NMR spectroscopy using superconducting magnets is a powerful technique for detecting adulteration in honey, but it is expensive and requires specialized facilities and training. Benchtop NMR spectrometers with permanent magnets are cheaper and more portable, but have lower resolution. However, a field-invariant model-based fitting method based on quantum mechanical properties can overcome these limitations and accurately quantify the sugar composition of honey.
ANALYTICAL METHODS
(2023)