Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Enhanced Thermoelectric Performance of Indacenodithiophene-Benzothiadiazole Copolymer Containing Polar Side Chains and Single Wall Carbon Nanotubes Composites.

ABSTRACT: Composite films of indacenodithiophene-bezothiadazole copolymers bearing polar side chains (P1) and single wall carbon nanotubes (SWCNTs) are found to show a competitive thermoelectric performance compared to their analogous polymers with aliphatic side chains (P2). The enhanced power factors could be attributed to the stronger interfacial interactions between the P1/SWCNTs compared to that of P2/SWCNTs containing the same ratio of SWCNTs. A maximum power factor of 161.34 ?W m-1 K-2 was obtained for the composite films of P1/SWCNTs for a filler content of 50 wt%, which is higher than that of P2/SWCNTs (139.06 ?W m-1 K-2, 50 wt%). Our work sheds light on the design of side-chains in efficient conjugated polymers/SWCNTs thermoelectric materials and contributes to the understanding of their thermoelectric properties.

SUBMITTER: Chen Z

PROVIDER: S-EPMC7240368 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Enhanced Thermoelectric Performance of Indacenodithiophene-Benzothiadiazole Copolymer Containing Polar Side Chains and Single Wall Carbon Nanotubes Composites.

Chen Zhongming Z Liu Tongchao T Pan Chengjun C Tan Guiping G

Polymers 20200407 4

Composite films of indacenodithiophene-bezothiadazole copolymers bearing polar side chains (P1) and single wall carbon nanotubes (SWCNTs) are found to show a competitive thermoelectric performance compared to their analogous polymers with aliphatic side chains (P2). The enhanced power factors could be attributed to the stronger interfacial interactions between the P1/SWCNTs compared to that of P2/SWCNTs containing the same ratio of SWCNTs. A maximum power factor of 16 ...[more]

PMID: 32272620

Similar Datasets

Enhanced n-Doping Efficiency of a Naphthalenediimide-Based Copolymer through Polar Side Chains for Organic Thermoelectrics.

Project description:N-doping of conjugated polymers either requires a high dopant fraction or yields a low electrical conductivity because of their poor compatibility with molecular dopants. We explore n-doping of the polar naphthalenediimide-bithiophene copolymer p(gNDI-gT2) that carries oligoethylene glycol-based side chains and show that the polymer displays superior miscibility with the benzimidazole-dimethylbenzenamine-based n-dopant N-DMBI. The good compatibility of p(gNDI-gT2) and N-DMBI results in a relatively high doping efficiency of 13% for n-dopants, which leads to a high electrical conductivity of more than 10-1 S cm-1 for a dopant concentration of only 10 mol % when measured in an inert atmosphere. We find that the doped polymer is able to maintain its electrical conductivity for about 20 min when exposed to air and recovers rapidly when returned to a nitrogen atmosphere. Overall, solution coprocessing of p(gNDI-gT2) and N-DMBI results in a larger thermoelectric power factor of up to 0.4 μW K-2 m-1 compared to other NDI-based polymers.

| S-EPMC5809982 | biostudies-literature

Polar side chains drive the association of model transmembrane peptides.

Project description:The forces stabilizing the three-dimensional structures of membrane proteins are currently not well understood. Previously, it was shown that a single Asn side chain in a transmembrane segment can mediate the dimerization and trimerization of a variety of hydrophobic helices. Here, we examine the tendencies of a representative set of amino acids (Asn, Gln, Asp, Glu, Lys, Ala, Val, Leu, Ser, Thr) to direct the oligomerization of a model transmembrane helix. The model peptide is entirely hydrophobic throughout a 20-residue segment and contains a single central site for the introduction of various amino acid "guests." Analytical ultracentrifugation and gel electrophoresis were used to determine the stoichiometry and free energy of association of the entire set of peptides within micelles. Variants with two polar atoms at the guest site-Asn, Gln, Asp, and Glu-formed stable trimers, whereas residues with one or fewer polar atoms showed a much weaker tendency to associate. The data are examined in light of the frequencies of occurrence of various amino acid side chains in membrane proteins and provide insight into the role of polar interactions in directing transmembrane helix association. These data also suggest an approach to the design of variants of natural single-span transmembrane proteins with various potentials to associate in the bilayer.

| S-EPMC14678 | biostudies-literature

Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged-Hydrophobic/Polar and Polar-Hydrophobic/Polar Side Chains.

Project description:The physics-based potentials of side-chain-side-chain interactions corresponding to pairs composed of charged and polar, polar and polar, charged and hydrophobic, and hydrophobic and hydrophobic side chains have been determined. A total of 144 four-dimensional potentials of mean force (PMFs) of all possible pairs of molecules modeling these pairs were determined by umbrella-sampling molecular dynamics simulations in explicit water as functions of distance and orientation, and the analytical expressions were then fitted to the PMFs. Depending on the type of interacting sites, the analytical approximation to the PMF is a sum of terms corresponding to van der Waals interactions and cavity-creation involving the nonpolar sections of the side chains and van der Waals, cavity-creation, and electrostatic (charge-dipole or dipole-dipole) interaction energies and polarization energies involving the charged or polar sections of the side chains. The model used in this work reproduces all features of the interacting pairs. The UNited RESidue force field with the new side-chain-side-chain interaction potentials was preliminarily tested with the N-terminal part of the B-domain of staphylococcal protein A (PDBL 1BDD ; a three-α-helix bundle) and UPF0291 protein YnzC from Bacillus subtilis (PDB: 2HEP ; an α-helical hairpin).

| S-EPMC5367159 | biostudies-literature

Decoration of Polyfluorene-Wrapped Carbon Nanotubes with Photocleavable Side-Chains.

Project description:Functionalizing polyfluorene-wrapped carbon nanotubes without damaging their properties is effective via Copper-Catalyzed Azide-Alkyne Cycloaddition (CuAAC). However, the length and nature of polymer side-chains can impact the conductivity of polyfluorene-SWNT films by preventing close contact between the nanotubes. Here, we investigate the functionalization of a polyfluorene-SWNT complex using photocleavable side-chains that can be removed post-processing. The cleavage of the side-chains containing an ortho-nitrobenzyl ether derivative is efficient when exposed to a UV lamp at 365 nm. The photoisomerization of the o-nitrobenzyl ether linker into the corresponding o-nitrosobenzaldehyde was first monitored via UV-Vis absorption spectroscopy and 1H-NMR spectroscopy on the polymer, which showed efficient cleavage after 2 h. We next investigated the cleavage on the polyfluorene-SWNT complex via UV-Vis-NIR absorption spectroscopy. The precipitation of the nanotube dispersion and the broad absorption peaks after overnight irradiation also indicated effective cleavage. In addition, Raman spectroscopy post-irradiation showed that the nanotubes were not damaged upon irradiation. This paper reports a proof of concept that may find applications for SWNT-based materials in which side-chain removal could lead to higher device performance.

| S-EPMC9920975 | biostudies-literature

Ultrafast energy transfer from rigid, branched side-chains into a conjugated, alternating copolymer.

Project description:We present the synthesis and characterization of a benzodithiophene/thiophene alternating copolymer decorated with rigid, singly branched pendant side chains. We characterize exciton migration and recombination dynamics in these molecules in tetrahydrofuran solution, using a combination of static and time-resolved spectroscopies. As control experiments, we also measure electronic relaxation dynamics in isolated molecular analogues of both the side chain and polymer moieties. We employ semi-empirical and time-dependent density functional theory calculations to show that photoexcitation of the decorated copolymer using 395 nm laser pulses results in excited states primarily localized on the pendant side chains. We use ultrafast transient absorption spectroscopy to show that excitations are transferred to the polymer backbone faster than the instrumental response function, ∼250 fs.

| S-EPMC3977892 | biostudies-other

Novel poly(2-oxazoline) block copolymer with aromatic heterocyclic side chains as a drug delivery platform.

Project description:Here we report a novel poly(2-oxazoline)-based block copolymer with the aromatic heterocyclic side chains in one block, poly(2-methyl-2-oxazoline)-b-poly(2-N,N-dimethyl-1,3,5-triazine-2,4-diamine-6-ethyl-2-oxazoline) (PMeOx-PcBOx), and demonstrate its potential application as a drug delivery platform. The copolymer was synthesized via the condensation of N,N-dimethylbiguanide with the methyl ester side chain in poly(2-methoxycarboxyethyl-2-oxazoline) block (PMestOx) of the PMeOx-PMestOx diblock copolymer. We confirmed the N,N-dimethylbiguanide condensation with PMestOx and the complete conversion of the side chain to the N,N-dimethyl-1,3,5-triazine-2,4-diamine-6-ethyl moiety by NMR spectroscopy, MALDI-TOF mass spectroscopy, UV-Vis spectroscopy, and titration analysis. The PMeOx-PcBOx copolymer self-assemble into polymeric micelles in aqueous solution. Successful encapsulation into these micelles has been demonstrated for 1) several poorly soluble drugs, such as bruceantin and LY2109761, and 2) dichloro(1,2-diaminocyclohexane)platinum(II) (DachPt). The first class of drugs is incorporated possibly via hydrogen bonding and pi-pi interactions with the PcBOx side groups, while the second one is likely forms coordination bonds with the same side groups. The capability of this new copolymer to solubilize a uniquely diverse set of active pharmaceutical ingredients suggests potential applications in drug delivery.

| S-EPMC7482421 | biostudies-literature

Self-Assembly of Molecular Brushes with Polyimide Backbone and Amphiphilic Block Copolymer Side Chains in Selective Solvents.

Project description:Three-component molecular brushes with a polyimide backbone and amphiphilic block copolymer side chains with different contents of the "inner" hydrophilic (poly(methacrylic acid)) and "outer" hydrophobic (poly(methyl methacrylate)) blocks were synthesized and characterized by molecular hydrodynamics and optics methods in solutions of chloroform, dimethylformamide, tetrahydrofuran and ethanol. The peculiarity of the studied polymers is the amphiphilic structure of the grafted chains. The molar masses of the molecular brushes were determined by static and dynamic light scattering in chloroform in which polymers form molecularly disperse solutions. Spontaneous self-assembly of macromolecules was detected in dimethylformamide, tetrahydrofuran and ethanol. The aggregates size depended on the thermodynamic quality of the solvent as well as on the macromolecular architectural parameters. In dimethylformamide and tetrahydrofuran, the distribution of hydrodynamic radii of aggregates was bimodal, while in ethanol, it was unimodal. Moreover, in ethanol, an increase in the poly(methyl methacrylate) content caused a decrease in the hydrodynamic radius of aggregates. A significant difference in the nature of the blocks included in the brushes determines the selectivity of the used solvents, since their thermodynamic quality with respect to the blocks is different. The macromolecules of the studied graft copolymers tend to self-organization in selective solvents with formation of a core-shell structure with an insoluble solvophobic core surrounded by the solvophilic shell of side chains.

| S-EPMC7762168 | biostudies-literature

Preparation of ?2-Homologous Amino Acids Bearing Polar Side Chains via a Collective Synthesis Strategy.

Project description:?-Homologous amino acids (?hAAs) are a valuable class of building blocks for novel analogues of bioactive peptides. Thus, practical methods to synthesize enantiopure ?hAAs are desirable. We report the application of a collective synthesis strategy to prepare protected ?2-homologous amino acids with polar side chains. In this approach, a core structure is constructed via proline-catalyzed Mannich reaction and subsequently derivatized to furnish more than one protected ?2-homologous amino acid with a proteinogenic side chain.

| S-EPMC7007826 | biostudies-literature

Microstructural Model of Indacenodithiophene-co-benzothiadiazole Polymer: π-Crossing Interactions and Their Potential Impact on Charge Transport.

Project description:Morphological and electronic properties of indacenodithiophene-co-benzothiadiazole (IDTBT) copolymer with varying molecular weights are calculated through combined molecular dynamics (MD) and quantum chemical (QC) methods. Our study focuses on the polymer chain arrangements, interchain connectivity pathways, and interplay between morphological and electronic structure properties of IDTBT. Our models, which are verified against GIWAXS measurements, show a considerable number of BT-BT π-π interactions with a (preferential) perpendicular local orientation of polymer chains due to the steric hindrance of bulky side chains around IDT. Although our models predict a noncrystalline structure for IDTBT, the BT-BT (interchain) crossing points show a considerable degree of short-range order in spatial arrangement which most likely result in a mesh-like structure for the polymer and provide efficient pathways for interchain charge transport.

| S-EPMC10561260 | biostudies-literature

Effects of Different Lengths of Oligo (Ethylene Glycol) Side Chains on the Electrochromic and Photovoltaic Properties of Benzothiadiazole-Based Donor-Acceptor Conjugated Polymers.

Project description:In recent years, donor-acceptor (D-A)-type conjugated polymers have been widely used in the field of organic solar cells (OSCs) and electrochromism (EC). Considering the poor solubility of D-A conjugated polymers, the solvents used in material processing and related device preparation are mostly toxic halogenated solvents, which have become the biggest obstacle to the future commercial process of the OSC and EC field. Herein, we designed and synthesized three novel D-A conjugated polymers, PBDT1-DTBF, PBDT2-DTBF, and PBDT3-DTBF, by introducing polar oligo (ethylene glycol) (OEG) side chains of different lengths in the donor unit benzodithiophene (BDT) as side chain modification. Studies on solubility, optics, electrochemical, photovoltaic and electrochromic properties are conducted, and the influence of the introduction of OEG side chains on its basic properties is also discussed. Studies on solubility and electrochromic properties show unusual trends that need further research. However, since PBDT-DTBF-class polymers and acceptor IT-4F failed to form proper morphology under the low-boiling point solvent THF solvent processing, the photovoltaic performance of prepared devices is not ideal. However, films with THF as processing solvent showed relatively desirable electrochromic properties and films cast from THF display higher CE than CB as the solvent. Therefore, this class of polymers has application feasibility for green solvent processing in the OSC and EC fields. The research provides an idea for the design of green solvent-processable polymer solar cell materials in the future and a meaningful exploration of the application of green solvents in the field of electrochromism.

| S-EPMC10004708 | 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