Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ratchet-free solid-state inertial rotation of a guest ball in a tight tubular host.

ABSTRACT: Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials. Solid-state dynamics of [60]fullerene (C60) is controlled by intimate intermolecular contacts and results in restricted motions of a ratchet phase at low temperatures. Manipulation of the solid-state dynamics of fullerene molecules is thus an interesting yet challenging problem. Here we show that a tubular host for C60 liberates the solid-state dynamics of the guest from the motional restrictions. Although the intermolecular contacts between the host and C60 were present to enable a tight association with a large energy gain of -14?kcal?mol-1, the dynamic rotations of C60 were simultaneously enabled by a small energy barrier of +2?kcal?mol-1 for the reorientation. The solid-state rotational motions reached a non-Brownian, inertial regime with an extremely rapid rotational frequency of 213?GHz at 335?K.

SUBMITTER: Matsuno T

PROVIDER: S-EPMC5954156 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ratchet-free solid-state inertial rotation of a guest ball in a tight tubular host.

Matsuno Taisuke T Nakai Yusuke Y Sato Sota S Maniwa Yutaka Y Isobe Hiroyuki H

Nature communications 20180515 1

Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials. Solid-state dynamics of [60]fullerene (C<sub>60</sub>) is controlled by intimate intermolecular contacts and results in restricted motions of a ratchet phase at low temperatures. Manipulation of the solid-state dynamics of fullerene molecules is thus an interesting yet challenging problem. Here we show that a tubular host for C<sub>60</sub> liberates the solid-state dynami ...[more]

PMID: 29765050

Similar Datasets

A Luminescent Guest@MOF Nanoconfined Composite System for Solid-State Lighting.

Project description:A series of rhodamine B (RhB) encapsulated zeolitic imidazolate framework-8 (RhB@ZIF-8) composite nanomaterials with different concentrations of guest loadings have been synthesized and characterized in order to investigate their applicability to solid-state white-light-emitting diodes (WLEDs). The nanoconfinement of the rhodamine B dye (guest) in the sodalite cages of ZIF-8 (host) is supported by fluorescence spectroscopic and photodynamic lifetime data. The quantum yield (QY) of the luminescent RhB@ZIF-8 material approaches unity when the guest loading is controlled at a low level: 1 RhB guest per ~7250 cages. We show that the hybrid (luminescent guest) LG@MOF material, obtained by mechanically mixing a suitably high-QY RhB@ZIF-8 red emitter with a green-emitting fluorescein@ZIF-8 "phosphor" with a comparably high QY, could yield a stable, intensity tunable, near-white light emission under specific test conditions described. Our results demonstrate a novel LG@MOF composite system exhibiting a good combination of photophysical properties and photostability, for potential applications in WLEDs, photoswitches, bioimaging and fluorescent sensors.

| S-EPMC8706567 | biostudies-literature

Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester.

Project description:Selective inclusion of each of bicyclic and tricyclic aromatic guest molecules was realized utilizing the self-assembly of a crystalline benzothiadiazole-type macrocyclic boronic ester. The complete switching of the guest selectivity was achieved simply by changing the cosolvent used in the formation of the crystalline host-guest complexes. Both the association free energy of host-guest complexes and the stability of packing structure were found to play important roles for the determination of the guest selectivity in this system, and the critical role of solvent molecules in the crystalline state for the switching phenomena was clarified.

| S-EPMC6054024 | biostudies-literature

Analysis of Solid-State Luminescence Emission Amplification at Substituted Anthracenes by Host-Guest Complex Formation.

Project description:Small robust organic molecules showing solid-state luminescence are promising candidates for optoelectronic materials. Herein, we investigate a series of diphenylphosphanyl anthracenes [9-PPh2 -10-R-(C14 H8 )] and their sulfur oxidised analogues. The oxidation causes drastic changes in the molecular structure as the new orientation of the bulky (S)PPh2 substituent induces a strong butterfly bent structure of the anthracene core, which triggers a strong bathochromic shift resulting in a green solid-state fluorescence. As the emission properties change only slightly upon aggregation the origin of the emission is attributed to a typical monomer fluorescence. The host-guest complexes of [9-(S)PPh2 -10-Ethyl-(C14 H8 )] with four basic arenes reveal an emission enhancement up to five-times higher quantum yields compared to the pure host. Less interchromophoric interactions and a restriction of intramolecular motion within the host molecules due to fixation by weak C-H⋅⋅⋅π interactions with the co-crystallised arene are responsible for that emission enhancement.

| S-EPMC7821099 | biostudies-literature

Time-dependent solid-state molecular motion and colour tuning of host-guest systems by organic solvents.

Project description:Host-guest complex solid state molecular motion is a critical but underexplored phenomenon. In principle, it can be used to control molecular machines that function in the solid state. Here we describe a solid state system that operates on the basis of complexation between an all-hydrocarbon macrocycle, D4d-CDMB-8, and perylene. Molecular motion in this solid state machine is induced by exposure to organic solvents or grinding and gives rise to different co-crystalline, mixed crystalline, or amorphous forms. Distinct time-dependent emissive responses are seen for different organic solvents as their respective vapours or when the solid forms are subject to grinding. This temporal feature allows the present D4d-CDMB-8⊃perylene-based system to be used as a time-dependent, colour-based 4th dimension response element in pattern-based information codes. This work highlights how dynamic control over solid-state host-guest molecular motion may be used to induce a tuneable temporal response and provide materials with information storage capability.

| S-EPMC6946670 | biostudies-literature

Solid-state molecular oxygen activation using ball milling and a piezoelectric material for aerobic oxidation of thiols.

Project description:The agitation of BaTiO3 via ball milling converts mechanical energy into electrical energy, leading to the reduction of molecular oxygen via a single electron transfer pathway analogous to the photocatalytic reaction. This mechanoredox strategy for the oxidative coupling of thiols could eliminate waste and develop a recyclable methodology to accomplish organic transformations in a greener fashion, exhibiting promising potential for large-scale chemical manufacturing.

| S-EPMC9214485 | biostudies-literature

Ratchet, swivel, tilt and roll: a complete description of subunit rotation in the ribosome.

Project description:Protein synthesis by the ribosome requires large-scale rearrangements of the 'small' subunit (SSU; ∼1 MDa), including inter- and intra-subunit rotational motions. However, with nearly 2000 structures of ribosomes and ribosomal subunits now publicly available, it is exceedingly difficult to design experiments based on analysis of all known rotation states. To overcome this, we developed an approach where the orientation of each SSU head and body is described in terms of three angular coordinates (rotation, tilt and tilt direction) and a single translation. By considering the entire RCSB PDB database, we describe 1208 fully-assembled ribosome complexes and 334 isolated small subunits, which span >50 species. This reveals aspects of subunit rearrangements that are universal, and others that are organism/domain-specific. For example, we show that tilt-like rearrangements of the SSU body (i.e. 'rolling') are pervasive in both prokaryotic and eukaryotic (cytosolic and mitochondrial) ribosomes. As another example, domain orientations associated with frameshifting in bacteria are similar to those found in eukaryotic ribosomes. Together, this study establishes a common foundation with which structural, simulation, single-molecule and biochemical efforts can more precisely interrogate the dynamics of this prototypical molecular machine.

| S-EPMC9881166 | biostudies-literature

Tiara[5]arenes: Synthesis, Solid-State Conformational Studies, Host-Guest Properties, and Application as Nonporous Adaptive Crystals.

Project description:Tiara[5]arenes (T[5]s), a new class of five-fold symmetric oligophenolic macrocycles that are not accessible from the addition of formaldehyde to phenol, were synthesized for the first time. These pillar[5]arene-derived structures display both unique conformational freedom, differing from that of pillararenes, with a rich blend of solid-state conformations and excellent host-guest interactions in solution. Finally we show how this novel macrocyclic scaffold can be functionalized in a variety of ways and used as functional crystalline materials to distinguish uniquely between benzene and cyclohexane.

| S-EPMC7187373 | biostudies-literature

Accumulation of Inertial Sensory Information in the Perception of Whole Body Yaw Rotation.

Project description:While moving through the environment, our central nervous system accumulates sensory information over time to provide an estimate of our self-motion, allowing for completing crucial tasks such as maintaining balance. However, little is known on how the duration of the motion stimuli influences our performances in a self-motion discrimination task. Here we study the human ability to discriminate intensities of sinusoidal (0.5 Hz) self-rotations around the vertical axis (yaw) for four different stimulus durations (1, 2, 3 and 5 s) in darkness. In a typical trial, participants experienced two consecutive rotations of equal duration and different peak amplitude, and reported the one perceived as stronger. For each stimulus duration, we determined the smallest detectable change in stimulus intensity (differential threshold) for a reference velocity of 15 deg/s. Results indicate that differential thresholds decrease with stimulus duration and asymptotically converge to a constant, positive value. This suggests that the central nervous system accumulates sensory information on self-motion over time, resulting in improved discrimination performances. Observed trends in differential thresholds are consistent with predictions based on a drift diffusion model with leaky integration of sensory evidence.

| S-EPMC5268484 | biostudies-literature

Placing ball and socket cervical total disc replacement using instant center of rotation.

Project description:BackgroundAuthors aim to evaluate the correct placement of TDR using the instant center of rotation (ICR) as a guide.MethodsPlacement of disc would be divided into three groups using a standard of 1 mm from the ICR: Posterior to ICR, In line with ICR and Anterior to ICR.Results49 patients, mean age was 39.96 ± 1.45 years. 42 intraop fluoroscopy images compared to 41 post op radiographic images demonstrated TDR in line with ICR.ConclusionTotal discs replacements can be placed intraoperatively using proper technique with verification confirmed using the ICR postoperatively.KeywordsTotal disc replacement; instant center of rotation; ideal placement; fluoroscopy; adjacent segment disease; less exposure surgery.

| S-EPMC6512561 | biostudies-literature

Plastic Monolithic Mixed-Conducting Interlayer for Dendrite-Free Solid-State Batteries.

Project description:Solid-state electrolytes (SSEs) hold a critical role in enabling high-energy-density and safe rechargeable batteries with Li metal anode. Unfortunately, nonuniform lithium deposition and dendrite penetration due to poor interfacial solid-solid contact are hindering their practical applications. Here, solid-state lithium naphthalenide (Li-Naph(s)) is introduced as a plastic monolithic mixed-conducting interlayer (PMMCI) between the garnet electrolyte and the Li anode via a facile cold process. The thin PMMCI shows a well-ordered layered crystalline structure with excellent mixed-conducting capability for both Li+ (4.38 × 10-3 S cm-1 ) and delocalized electrons (1.01 × 10-3 S cm-1 ). In contrast to previous composite interlayers, this monolithic material enables an intrinsically homogenous electric field and Li+ transport at the Li/garnet interface, thus significantly reducing the interfacial resistance and achieving uniform and dendrite-free Li anode plating/stripping. As a result, Li symmetric cells with the PMMCI-modified garnet electrolyte show highly stable cycling for 1200 h at 0.2 mA cm-2 and 500 h at a high current density of 1 mA cm-2 . The findings provide a new interface design strategy for solid-state batteries using monolithic mixed-conducting interlayers.

| S-EPMC9218657 | 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