Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity.

ABSTRACT: We report the design and synthesis of a titanium catecholate framework, MOF-217, comprised of 2,4,6-tri(3,4-dihydroxyphenyl)-1,3,5-triazine (TDHT) and isolated TiO₆ clusters, with 2-fold interpenetrated srs topology. The dynamics of the organic linker, breaking the C _3h symmetry, allowed for reversible twist and sliding between interpenetrated frames upon temperature change and the inclusion of small molecules. Introduction of 28 wt% imidazole into the pores of MOF-217, 28% Im-in-MOF-217, resulted in four orders of magnitude increase in proton conductivity, due to the appropriate accommodation of imidazole molecules and their proton transfer facilitated by the H-bond to the MOF structure across the pores. This MOF-based proton conductor can be operated at 100 °C with a proton conductivity of 1.1 × 10^-3 S cm^-1, standing among the best performing anhydrous MOF proton conductors at elevated temperature. The interframe dynamics represents a unique feature of MOFs that can be accessed in the future design of proton conductors.

SUBMITTER: Cao J

PROVIDER: S-EPMC8152619 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1000-fold enhancement in proton conductivity of a MOF using post-synthetically anchored proton transporters.

Project description:Pyridinol, a coordinating zwitter-ionic species serves as stoichiometrically loadable and non-leachable proton carrier. The partial replacement of the pyridinol by stronger hydrogen bonding, coordinating guest, ethylene glycol (EG), offers 1000-fold enhancement in conductivity (10(-6) to 10(-3)?Scm(-1)) with record low activation energy (0.11?eV). Atomic modeling coupled with (13)C-SSNMR provides insights into the potential proton conduction pathway functionalized with post-synthetically anchored dynamic proton transporting EG moieties.

| S-EPMC5006155 | biostudies-literature

Humidity-Mediated Anisotropic Proton Conductivity through the 1D Channels of Co-MOF-74.

Project description:Large Co-MOF-74 crystals of a few hundred micrometers were prepared by solvothermal synthesis, and their structure and morphology were characterized by scanning electron microscopy (SEM), IR, and Raman spectroscopy. The hydrothermal stability of the material up to 60 °C at 93% relative humidity was verified by temperature-dependent XRD. Proton conductivity was studied by impedance spectroscopy, using a single crystal. By varying the relative humidity (70-95%), temperature (21-60 °C), and orientation of the crystal relative to the electrical potential, it was found that proton conduction occurs predominantly through the linear, unidirectional (1D) micropore channels of Co-MOF-74, and that water molecules inside the channels are responsible for the proton mobility by a Grotthuss-type mechanism.

| S-EPMC7407165 | biostudies-literature

On the limit of proton-coupled electronic doping in a Ti(iv)-containing MOF.

Project description:TiIV-containing metal-organic frameworks are known to accumulate electrons in their conduction bands, accompanied by protons, when irradiated in the presence of alcohols. The archetypal system, MIL-125, was recently shown to reach a limit of 2e- per Ti8 octomeric node. However, the origin of this limit and the broader applicability of this unique chemistry relies not only on the presence of TiIV, but also access to inorganic inner-sphere Lewis basic anions in the MOF nodes. Here, we study the loading of protons and electrons in MIL-125, and assess the thermodynamic limit of doping these materials. We find that the limit is determined by the reduction potential of protons: in high charging regimes the MOF exceeds the H+/H2 potential. Generally, we offer the design principle that inorganic anions in MOF nodes can host adatomic protons, which may stabilize meta-stable low valent transition metals. This approach highlights the unique chemistry afforded by MOFs built from inorganic clusters, and provides one avenue to developing novel catalytic scaffolds for hydrogen evolution and transfer hydrogenation.

| S-EPMC8442679 | biostudies-literature

Oriented MOF-polymer composite nanofiber membranes for high proton conductivity at high temperature and anhydrous condition.

Project description:The novel oriented electrospun nanofiber membrane composed of MOFs and SPPESK has been synthesized for proton exchange membrane fuel cell operating at high temperature and anhydrous conditions. It is clear that the oriented nanofiber membrane displays the higher proton conductivity than that of the disordered nanofiber membrane or the membrane prepared by conventional solvent-casting method (without nanofibers). Nanofibers within the membranes are significantly oriented. The proton conductivity of the oriented nanofiber membrane can reach up to (8.2 ± 0.16) × 10(-2) S cm(-1) at 160°C under anhydrous condition for the highly orientation of nanofibers. Moreover, the oxidative stability and resistance of methanol permeability of the nanofibers membrane are obviously improved with an increase in orientation of nanofibers. The observed methanol permeability of 0.707 × 10(-7) cm(2) s(-1) is about 6% of Nafion-115. Consequently, orientated nanofibers membrane is proved to be a promising material as the proton exchange membrane for potential application in direct methanol fuel cells.

| S-EPMC4118289 | biostudies-literature

Proton conductivity of glycosaminoglycans.

Project description:Proton conductivity is important in many natural phenomena including oxidative phosphorylation in mitochondria and archaea, uncoupling membrane potentials by the antibiotic Gramicidin, and proton actuated bioluminescence in dinoflagellate. In all of these phenomena, the conduction of protons occurs along chains of hydrogen bonds between water and hydrophilic residues. These chains of hydrogen bonds are also present in many hydrated biopolymers and macromolecule including collagen, keratin, chitosan, and various proteins such as reflectin. All of these materials are also proton conductors. Recently, our group has discovered that the jelly found in the Ampullae of Lorenzini- shark's electro-sensing organs- is the highest naturally occurring proton conducting substance. The jelly has a complex composition, but we proposed that the conductivity is due to the glycosaminoglycan keratan sulfate (KS). Here we measure the proton conductivity of hydrated keratan sulfate purified from Bovine Cornea. PdHx contacts at 0.50 ± 0.11 mS cm -1, which is consistent to that of Ampullae of Lorenzini jelly at 2 ± 1 mS cm -1. Proton conductivity, albeit with lower values, is also shared by other glycosaminoglycans with similar chemical structures including dermatan sulfate, chondroitin sulfate A, heparan sulfate, and hyaluronic acid. This observation supports the relationship between proton conductivity and the chemical structure of biopolymers.

| S-EPMC6407855 | biostudies-literature

DNA sliding in nucleosomes via twist defect propagation revealed by molecular simulations.

Project description:While nucleosomes are highly stable structures as fundamental units of chromatin, they also slide along the DNA, either spontaneously or by active remodelers. Here, we investigate the microscopic mechanisms of nucleosome sliding by multiscale molecular simulations, characterizing how the screw-like motion of DNA proceeds via the formation and propagation of twist defects. Firstly, coarse-grained molecular simulations reveal that the sliding dynamics is highly dependent on DNA sequence. Depending on the sequence and the nucleosome super-helical location, we find two distinct types of twist defects: a locally under-twisted DNA region, previously observed in crystal structures, and a locally over-twisted DNA, an unprecedented feature. The stability of the over-twist defect was confirmed via all-atom simulations. Analysis of our trajectories via Markov state modeling highlights how the sequence-dependence of the sliding dynamics is due to the different twist defect energy costs, and in particular how nucleosome regions where defects cannot easily form introduce the kinetic bottlenecks slowing down repositioning. Twist defects can also mediate sliding of nucleosomes made with strong positioning sequences, albeit at a much lower diffusion coefficient, due to a high-energy intermediate state. Finally, we discuss how chromatin remodelers may exploit these spontaneous fluctuations to induce unidirectional sliding of nucleosomes.

| S-EPMC5887990 | biostudies-literature

Phase Transformation Dynamics in Sulfate-Loaded Lanthanide Triphosphonates. Proton Conductivity and Application as Fillers in PEMFCs.

Project description:Phase transformation dynamics and proton conduction properties are reported for cationic layer-featured coordination polymers derived from the combination of lanthanide ions (Ln3+) with nitrilo-tris(methylenephosphonic acid) (H6NMP) in the presence of sulfate ions. Two families of materials are isolated and structurally characterized, i.e., [Ln2(H4NMP)2(H2O)4](HSO4)2·nH2O (Ln = Pr, Nd, Sm, Eu, Gd, Tb, Er, Yb; n = 4-5, Series I) and [Ln(H5NMP)]SO4·2H2O (Ln = Pr, Nd, Eu, Gd, Tb; Series II). Eu/Tb bimetallic solid solutions are also prepared for photoluminescence studies. Members of families I and II display high proton conductivity (10-3 and 10-2 S·cm-1 at 80 °C and 95% relative humidity) and are studied as fillers for Nafion-based composite membranes in PEMFCs, under operating conditions. Composite membranes exhibit higher power and current densities than the pristine Nafion membrane working in the range of 70-90 °C and 100% relative humidity and with similar proton conductivity.

| S-EPMC8610370 | biostudies-literature

Proton conductivity in ampullae of Lorenzini jelly.

Project description:In 1678, Stefano Lorenzini first described a network of organs of unknown function in the torpedo ray-the ampullae of Lorenzini (AoL). An individual ampulla consists of a pore on the skin that is open to the environment, a canal containing a jelly and leading to an alveolus with a series of electrosensing cells. The role of the AoL remained a mystery for almost 300 years until research demonstrated that skates, sharks, and rays detect very weak electric fields produced by a potential prey. The AoL jelly likely contributes to this electrosensing function, yet the exact details of this contribution remain unclear. We measure the proton conductivity of the AoL jelly extracted from skates and sharks. The room-temperature proton conductivity of the AoL jelly is very high at 2 ± 1 mS/cm. This conductivity is only 40-fold lower than the current state-of-the-art proton-conducting polymer Nafion, and it is the highest reported for a biological material so far. We suggest that keratan sulfate, identified previously in the AoL jelly and confirmed here, may contribute to the high proton conductivity of the AoL jelly with its sulfate groups-acid groups and proton donors. We hope that the observed high proton conductivity of the AoL jelly may contribute to future studies of the AoL function.

| S-EPMC4928922 | biostudies-literature

Enhanced proton conductivity in a layered coordination polymer.

Project description:[Gd(H4nmp)(H2O)2]Cl·2H2O (1) converts into [Gd2(H3nmp)2]·xH2O (2) (x = 1 to 4) with a notable increase in proton conductivity. 1 is a charged layered material counter balanced by chloride ions, with proton conductivity values of 1.23 × 10-5 S cm-1 at 98% relative humidity (RH) and 40 °C. At 98% RH and 94 °C the observed conductivity is 0.51 S cm-1, being to date one of the highest values ever reported for a proton-conducting coordination polymer. This increase is observed during a structural transformation into 2 that occurs at high temperature and RH. While this remarkable conductivity is observed only after transformation and by maintaining high humidity conditions, as-synthesized 2 also shows a conductivity value of 3.79 × 10-2 S cm-1 at 94 °C and 98% RH, still ranked as one of the highest reported values. Moreover, it is shown that the key factor for high proton conduction is the unusual dynamic structural transformation with water insertion and release of chloride ions.

| S-EPMC7448532 | biostudies-literature

Revealing extraordinary tensile plasticity in layered Ti-Al metal composite.

Project description:Layered Ti-Al metal composite (LMC) fabricated by hot-pressing and hot-rolling process displays higher ductility than that of both components. In this paper, a combination of digital image correlation (DIC) and X-ray tomography revealed that strain delocalization and constrained crack distribution are the origin of extraordinary tensile ductility. Strain delocalization was derived from the transfer of strain partitioning between Ti and Al layer, which relieved effectively the strain localization of LMC. Furthermore, the extensive cracks of LMC were restricted in the interface due to constraint effect. Layered architecture constrained the distribution of cracks and significantly relieved the strain localization. Meanwhile, the transfer of strain partitioning and constrained crack distribution were believed to inhibit the strain localization of Ti and change the deformation mechanisms of Ti. Our finding enriches current understanding about simultaneously improving the strength and ductility by structural design.

| S-EPMC5137039 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data