Article
Nutrition & Dietetics
Kate M. Bermingham, Mohsen Mazidi, Paul W. Franks, Tyler Maher, Ana M. Valdes, Inbar Linenberg, Jonathan Wolf, George Hadjigeorgiou, Tim D. Spector, Cristina Menni, Jose M. Ordovas, Sarah E. Berry, Wendy L. Hall
Summary: This study characterized the variability and correlations of postprandial metabolite changes in a large cohort. The majority of metabolites showed significant changes after a meal, particularly in very large lipoprotein particles and ketone bodies. Strong correlations were observed between fasting and postprandial metabolites, although some metabolites showed weak correlations.
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
Terra Sztain, Thomas G. Bartholow, D. John Lee, Lorenzo Casalino, Andrew Mitchell, Megan A. Young, Jianing Wang, J. Andrew McCammon, Michael D. Burkart
Summary: Enzymes in metabolic pathways utilize a variety of regulatory mechanisms to maintain homeostasis, with carrier proteins playing an essential role in substrate shuttling. A unique communication mechanism between ACP and partner enzymes has been demonstrated, showing allosteric regulation dependent on fatty acid chain length. These findings provide insights into cargo communication by ACP and can potentially be used for engineering carrier protein-dependent pathways for specific products.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Biochemistry & Molecular Biology
Dmitri Tolkatchev, Balaganesh Kuruba, Garry E. Smith, Kyle D. Swain, Kaitlin A. Smith, Natalia Moroz, Trenton J. Williams, Alla S. Kostyukova
Summary: In this study, the interactions between tropomyosin residues and two tropomyosin-binding sites of tropomodulin were mapped, and three-dimensional models of the tropomodulin/tropomyosin complex for each site were generated. The models were refined through molecular dynamics simulations and validated by constructing a self-consistent three-dimensional model of tropomodulin assembly at the pointed end. The pointed-end Tmod assembly model provides new insights into how Tmod binding tightly controls the dynamics at the pointed end.
Article
Energy & Fuels
Xiaojin Guo, Xiang Xu, Xiaoyong Xue, Xiquan Li
Summary: Deconvoluting method is crucial for analyzing Raman spectra of coals and chars, and in this study, a new function correlated with defects was established using this method. The technique can be applied to other hydrocarbons for constructing functions reflecting different structural characteristics.
Article
Biochemistry & Molecular Biology
Francisco Rivero-Rodriguez, Antonio Diaz-Quintana, Alejandro Velazquez-Cruz, Katiuska Gonzalez-Arzola, Maria P. Gavilan, Adrian Velazquez-Campoy, Rosa M. Rios, Miguel A. De la Rosa, Irene Diaz-Moreno
Summary: The study reveals a novel interaction between ANP32B and cytochrome c, as well as the regulatory mechanism of PP2A activity, shedding light on a series of cellular responses occurring during DNA damage.
Article
Chemistry, Physical
Baptiste Busi, Jayasubba Reddy Yarava, Andrea Bertarello, Francois Freymond, Wiktor Adamski, Damien Maurin, Matthias Hiller, Hartmut Oschkinat, Martin Blackledge, Lyndon Emsley
Summary: Investigating the dynamics of four different proteins using multifield variable-temperature NMR longitudinal relaxation measurements, similarities and differences in their average motions were identified. While the proteins exhibited similar features in terms of average backbone motions, differences were observed in the activation energies, particularly in the case of the intrinsically disordered protein Sendai Ntail. This study refines the understanding of hierarchical dynamics in proteins.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biochemistry & Molecular Biology
Tobias Gruber, Marc Lewitzky, Lisa Machner, Ulrich Weininger, Stephan M. Feller, Jochen Balbach
Summary: Intrinsically disordered proteins (IDPs) lack tertiary structure elements and play important roles in cellular processes. This study focuses on the C-terminal region of Gab1, an IDP, and investigates its induced structure and binding properties under both non-crowding and crowding conditions. The results show that under crowding conditions, pre-structured motifs are formed in certain regions of Gab1, which are also the binding regions for the protein SHP2. Phosphorylation has no impact on the dynamics and disordered nature of Gab1. Therefore, biological crowders can enhance the binding capacity of SHP2 to Gab1, even in the absence of phosphorylation.
JOURNAL OF MOLECULAR BIOLOGY
(2022)
Article
Chemistry, Physical
E. Read, B. Lonetti, S. Gineste, A. T. Sutton, E. Di Cola, P. Castignolles, M. Gaborieau, A. -F. Mingotaud, M. Destarac, J. -D. Marty
Summary: The study focuses on investigating the structural changes of polyion complexes (PICs) composed of thermoresponsive polymers with temperature variations, and suggests that the polymer structure and PICs composition play a crucial role in the observed modifications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Computer Science, Interdisciplinary Applications
Davide Candoli, Ilija K. Nikolov, Lucas Z. Brito, Stephen Carr, Samuele Sanna, Vesna F. Mitrovic
Summary: This open-source software simulates observables in magnetic resonance experiments, such as NMR/NQR and ESR. It aims to assist experimental research in the design of new strategies for investigating quantum properties of materials. The software can simulate standard NMR spectroscopic observables and the time-evolution of interacting single-spin systems subject to complex pulse sequences.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Endocrinology & Metabolism
Xue Zhao, Peixuan Cheng, Ru Xu, Kaili Meng, Sha Liao, Pu Jia, Xiaohui Zheng, Chaoni Xiao
Summary: By studying the dynamic metabolic changes in plasma and urine during epileptic seizures, this research provides insights into the development and progression of epilepsy, revealing the pathophysiological processes involving energy metabolism, amino acid metabolism, peripheral inflammation, and gut microbiota functions.
METABOLIC BRAIN DISEASE
(2022)
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)
Review
Chemistry, Multidisciplinary
Eric G. Keeler, Ann E. McDermott
Summary: Magic angle spinning NMR rotating frame relaxation measurements provide valuable insights into biomolecules dynamics, and can accurately determine motion time scales and mechanisms.
Article
Chemistry, Physical
Giselle de Araujo Lima e Souza, Maria Enrica Di Pietro, Franca Castiglione, Valeria Vanoli, Andrea Mele
Summary: Choline-based deep eutectic solvents (DESs) have the potential to replace flammable organic solvent electrolytes in lithium-ion batteries (LIBs). This study investigates the effect of adding a lithium salt on the structure and dynamics of DESs using multinuclear NMR techniques. The results show that the addition of lithium salt decreases both rotational and translational mobility, increases viscosity, and indicates lithium complexation.
Article
Chemistry, Physical
Melanie Reuhl, Philipp Monnard, Michael Vogel
Summary: The translational diffusion coefficient of the solution decreases significantly as the pore diameter decreases, while the rotational correlation times are moderately affected by confinement effects. In fully liquid solutions, there are bulk-like and slowed down reorientation processes in the central and interfacial pore regions, respectively. Another relaxation process, denoted as the x process, is observed in partially frozen samples.
JOURNAL OF CHEMICAL PHYSICS
(2022)