Since its invention more than six decades ago, nuclear magnetic resonance (NMR) spectroscopy has evolved as an inevitable part of chemical as well as structural analysis of small molecules, polymers, biomaterials and hybrid materials. In the solution state, due to the increased viscosity of complex viscoelastic fluids such as gels, liquid crystals and other soft materials, the rate of molecular tumbling is reduced, which in turn affects the chemical shift anisotropy, dipolar and quadrupolar interactions. As a consequence the solution state NMR spectra show broad lines, and therefore, extracting detailed structural information is a challenging task. In this context, solid state (SS) NMR has the ability to distinguish between a minute amount of polymorphic forms, conformational changes, and the number of non-equivalent molecules in an asymmetric unit of a crystal lattice, and to provide both qualitative as well as quantitative analytical data with a short-range order. Therefore, SS NMR has continued to evolve as an indispensable tool for structural analysis and gave birth to a new field called NMR crystallography. Solid state cross polarization (CP) and high resolution (HR) magic angle spinning (MAS) NMR spectroscopy has been used to study weak interactions in polymer gels. However, the application of SS NMR spectroscopy to study gels derived from low molecular weight gelators has been limited until recently. In this review, we will focus on the importance of solid state NMR spectroscopy in understanding and elucidating the structure of supramolecular gels derived from low molecular weight gelators with selected examples.
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http://dx.doi.org/10.1039/c6sm00969g | DOI Listing |
Sci Rep
January 2025
School of Civil Engineering, Hunan City University, Yiyang, China.
To investigate the dynamic characteristics and safe operation speed threshold of metro train passing through curved bridge (CB) considering resilient wheels, the mechanical connection characteristics of rim and web are discussed firstly. Based on the train-track-bridge interaction theory, the coupled dynamic model of metro train-CB considering resilient wheels is established. Then, the vehicle-bridge coupled dynamic characteristics under the excitation of long-short wave track irregularity are researched.
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January 2025
National Laboratory of Solid-State Microstructures, Collaborative Innovation Center of Advanced Microstructures, School of Physics, Nanjing University, Nanjing, China.
In flat-band systems, emergent physics can be substantially modified by the presence of another nearby electronic band. For example, a Mott˘Hubbard insulator can turn into a charge transfer insulator if other electronic states enter between the upper and lower Hubbard bands. Here, we introduce twisted double bilayer (TDB) WSe, with twist angles near 60°, as a controllable platform in which the K-valley band can be tuned to close vicinity of the Γ-valley moiré flat band.
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January 2025
Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education, State Key Laboratory of Mechanics and Control of Mechanical Structures, and Institute for Frontier Science, Nanjing University of Aeronautics and Astronautics, Nanjing, China.
The ferroelectricity in stacked van der Waals multilayers through interlayer sliding holds great promise for ultrathin high-density memory devices, yet mostly subject to weak polarization and cryogenic operating condition. Here, we demonstrate robust room-temperature ferroelectricity in monolayer graphene sandwiched between hexagonal boron nitride layers with a rhombohedral-like stacking (i.e.
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January 2025
Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic University, Shenzhen, 518055, People's Republic of China.
Crystalline pentacene is a model solid-state light-harvesting material because its quantum efficiencies exceed 100% via ultrafast singlet fission. The singlet fission mechanism in pentacene crystals is disputed due to insufficient electronic information in time-resolved experiments and intractable quantum mechanical calculations for simulating realistic crystal dynamics. Here we combine a multiscale multiconfigurational approach and machine learning photodynamics to understand competing singlet fission mechanisms in crystalline pentacene.
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January 2025
State Key Laboratory of Urban Water Resource and Environment, School of Environment, Harbin Institute of Technology, Harbin, 150090, PR China.
Heterotrophic denitrifiers play crucial roles in global carbon and nitrogen cycling. However, their inability to oxidize sulfide renders them vulnerable to this toxic molecule, which inhibits the key enzymatic reaction responsible for reducing nitrous oxide (NO), thereby raising greenhouse gas emissions. Here, we applied microcosm incubations, community-isotope-corrected DNA stable-isotope probing, and metagenomics to characterize a cohort of heterotrophic denitrifiers in estuarine sediments that thrive by coupling sulfur oxidation with denitrification through chemolithoheterotrophic metabolism.
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