Investigation of Structure–Property Relationships in Diketopyrrolopyrrole-Based Polymer Semiconductors via Side-Chain Engineering

2015 ◽  
Vol 27 (5) ◽  
pp. 1732-1739 ◽  
Author(s):  
Jang Yeol Back ◽  
Hojeong Yu ◽  
Inho Song ◽  
Il Kang ◽  
Hyungju Ahn ◽  
...  
Keyword(s):  
Side Chain ◽  
Structure Property ◽  
Polymer Semiconductors ◽  
Structure Property Relationships

scholarly journals Defining side chain successions in anthracene-based poly(arylene ethynylene)-alt-poly(phenylene vinylene)s: probing structure–property relationships

2019 ◽  
Vol 10 (39) ◽  
pp. 5339-5347
Author(s):  
Christoph Ulbricht ◽  
Nassima Bouguerra ◽  
Samuel Inack Ngi ◽  
Oliver Brüggemann ◽  
Daniel A. M. Egbe
Keyword(s):  
Conjugated Polymers ◽  
Spectroscopic Study ◽  
Side Chain ◽  
Phenylene Vinylene ◽  
Structure Property ◽  
Structure Property Relationships

A detailed spectroscopic study of nine conjugated polymers with various octyloxy/2-ethylhexyloxy side chain sequences prepared using optimized regio-selective synthetic pathways.

scholarly journals Heterometal Grafted metalla-ynes and Poly(metalla-ynes): A Review on Structure–Property Relationships and Applications

Polymers ◽  
2021 ◽  
Vol 13 (21) ◽  
pp. 3654
Author(s):  
Rayya A. Al-Balushi ◽  
Ashanul Haque ◽  
Idris J. Al-Busaidi ◽  
Houda Al-Sharji ◽  
Muhammad S. Khan
Keyword(s):  
Physical Properties ◽  
Main Chain ◽  
Functional Materials ◽  
Photo Luminescence ◽  
Structural Features ◽  
Side Chain ◽  
Structure Property ◽  
Molecular Scaffolds ◽  
Structure Property Relationships ◽  
Rigid Rod

Metalla-ynes and poly(metalla-ynes) have emerged as unique molecular scaffolds with fascinating structural features and intriguing photo-luminescence (PL) properties. Their rigid-rod conducting backbone with tunable photo-physical properties has generated immense research interests for the design and development of application-oriented functional materials. Introducing a second d- or f-block metal fragment in the main-chain or side-chain of a metalla-yne and poly(metalla-yne) was found to further modulate the underlying features/properties. This review focuses on the photo-physical properties and opto-electronic (O-E) applications of heterometal grafted metalla-ynes and poly(metalla-ynes).

A long side chain imidazolium-based graft-type anion-exchange membrane: novel electrolyte and alkaline-durable properties and structural elucidation using SANS contrast variation

Soft Matter ◽  
2020 ◽  
Vol 16 (35) ◽  
pp. 8128-8143 ◽  
Author(s):  
Yue Zhao ◽  
Kimio Yoshimura ◽  
Ahmed Mohamed Ahmed Mahmoud ◽  
Hwan-Chul Yu ◽  
Shun Okushima ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Hydrazine Hydrate ◽  
Anion Exchange ◽  
Anion Exchange Membrane ◽  
Structural Elucidation ◽  
Side Chain ◽  
Structure Property ◽  
Contrast Variation ◽  
Structure Property Relationships ◽  
Exchange Membrane

Structure–property relationships of newly developed AEMs were studied. Hydrazine-hydrate fuel cell tests show good performance and the best durability thus far.

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

2018 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Jarod M. Younker ◽  
George Rodriguez
Keyword(s):  
High Throughput Screening ◽  
Waste Water Treatment ◽  
Chain Structure ◽  
Polymer Chains ◽  
Side Chain ◽  
Radius Of Gyration ◽  
Structure Property ◽  
Engine Oils ◽  
Structure Property Relationships ◽  
Dynamics Simulations

<pre>The key to the discovery of materials with targeted properties lies in the understanding of structure-property relationships. In this work, we evaluate the relationship between the polymer structure and their coil dimensions, and explore new polymers based on these relations. Coil dimensions are important features of polymers which affect their performance in various applications, including drug delivery, waste-water treatment, and engine oils. Coil dimensions of the polyolefins are dependent on the number, size, and stereo orientation of side chains along the backbone. Thus, controlling these attributes allows us to tailor the coil dimensions of polyolefins. In the proposed scheme, we calculate the radius of gyration (<i>R<sub>g</sub></i>) of polyolefin chains using molecular dynamics simulations and validate against experimental results. Simulated annealing is implemented to ensure the capture of different configurations. This model affords the ability to quantify the effect tacticity has on the coil dimensions of polyolefins. The results show the suppression of tacticity effects when the polymer chains transition to bottlebrush structures, demonstrating that the side chain steric hindrance plays an important role in the rigidity of the chain backbone. Further, the model is used to evaluate the compositional effects by determining the rigidity of propylene and 1-hexene copolymers. Combining our model with virtual high-throughput screening techniques, we evaluated the coiling behavior of hundreds of new polymers. Using the screening results, we established correlations between the structure of the side chain and the coil dimensions of polymers.</pre><pre>The supplementary material accompanying this paper includes the library of 275 polymers and their corresponding <i>K<sub>s</sub></i> values.<br></pre>

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

2018 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Jarod M. Younker ◽  
George Rodriguez
Keyword(s):  
High Throughput Screening ◽  
Waste Water Treatment ◽  
Chain Structure ◽  
Polymer Chains ◽  
Side Chain ◽  
Radius Of Gyration ◽  
Structure Property ◽  
Engine Oils ◽  
Structure Property Relationships ◽  
Dynamics Simulations

<pre>The key to the discovery of materials with targeted properties lies in the understanding of structure-property relationships. In this work, we evaluate the relationship between the polymer structure and their coil dimensions, and explore new polymers based on these relations. Coil dimensions are important features of polymers which affect their performance in various applications, including drug delivery, waste-water treatment, and engine oils. Coil dimensions of the polyolefins are dependent on the number, size, and stereo orientation of side chains along the backbone. Thus, controlling these attributes allows us to tailor the coil dimensions of polyolefins. In the proposed scheme, we calculate the radius of gyration (<i>R<sub>g</sub></i>) of polyolefin chains using molecular dynamics simulations and validate against experimental results. Simulated annealing is implemented to ensure the capture of different configurations. This model affords the ability to quantify the effect tacticity has on the coil dimensions of polyolefins. The results show the suppression of tacticity effects when the polymer chains transition to bottlebrush structures, demonstrating that the side chain steric hindrance plays an important role in the rigidity of the chain backbone. Further, the model is used to evaluate the compositional effects by determining the rigidity of propylene and 1-hexene copolymers. Combining our model with virtual high-throughput screening techniques, we evaluated the coiling behavior of hundreds of new polymers. Using the screening results, we established correlations between the structure of the side chain and the coil dimensions of polymers.</pre><pre>The supplementary material accompanying this paper includes the library of 275 polymers and their corresponding <i>K<sub>s</sub></i> values.<br></pre>

scholarly journals A minimalistic cyclic ice-binding peptide from phage display

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Corey A. Stevens ◽  
Fabienne Bachtiger ◽  
Xu-Dong Kong ◽  
Luciano A. Abriata ◽  
Gabriele C. Sosso ◽  
...  
Keyword(s):  
Phage Display ◽  
Mutational Analysis ◽  
Side Chain ◽  
Structure Property ◽  
Binding Peptide ◽  
Structure Property Relationships ◽  
Ice Binding ◽  
Selection Protocol ◽  
Dynamics Simulations ◽  
Daunting Challenge

AbstractDeveloping molecules that emulate the properties of naturally occurring ice-binding proteins (IBPs) is a daunting challenge. Rather than relying on the (limited) existing structure–property relationships that have been established for IBPs, here we report the use of phage display for the identification of short peptide mimics of IBPs. To this end, an ice-affinity selection protocol is developed, which enables the selection of a cyclic ice-binding peptide containing just 14 amino acids. Mutational analysis identifies three residues, Asp8, Thr10 and Thr14, which are found to be essential for ice binding. Molecular dynamics simulations reveal that the side chain of Thr10 hydrophobically binds to ice revealing a potential mechanism. To demonstrate the biotechnological potential of this peptide, it is expressed as a fusion (‘Ice-Tag’) with mCherry and used to purify proteins directly from cell lysate.

scholarly journals Synthesis and Quantitative Structure-Property Relationships of Side Chain-Modified Hyodeoxycholic Acid Derivatives

Molecules ◽  
2013 ◽  
Vol 18 (9) ◽  
pp. 10497-10513 ◽  
Author(s):  
Paola Sabbatini ◽  
Paolo Filipponi ◽  
Roccaldo Sardella ◽  
Benedetto Natalini ◽  
Roberto Nuti ◽  
...  
Keyword(s):  
Side Chain ◽  
Quantitative Structure ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Hyodeoxycholic Acid ◽  
Quantitative Structure Property Relationships

scholarly journals Synthesis and structure–property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules

2016 ◽  
Vol 18 (21) ◽  
pp. 14709-14719 ◽  
Author(s):  
Abby-Jo Payne ◽  
Arthur D. Hendsbee ◽  
Seth M. McAfee ◽  
Devproshad K. Paul ◽  
Kunal Karan ◽  
...  
Keyword(s):  
Thin Films ◽  
Small Molecules ◽  
Chain Length ◽  
Side Chain ◽  
Structure Property ◽  
Side Chain Length ◽  
Materials Properties ◽  
Structure Property Relationships ◽  
And Topology ◽  
The Impact

Six organic π-conjugated small molecules with a bithiophene core and aryl imide terminal units are reported. The impact of alky side chain length and topology, and aryl imide size on materials properties in solution and as thin-films was investigated.

Structure-property relationships of PE/PP sandwiched films

1987 ◽  
Vol 45 ◽  
pp. 454-455
Author(s):  
J. Petermann ◽  
G. Broza ◽  
U. Rieck ◽  
A. Jaballah ◽  
A. Kawaguchi
Keyword(s):  
Mechanical Tests ◽  
Polymer Materials ◽  
Ionic Crystals ◽  
Structure Property ◽  
Polymer Systems ◽  
Structure Property Relationships ◽  
Oriented Films ◽  
Materials Used ◽  
Polymer Laminates ◽  
Heated Glass

Oriented overgrowth of polymer materials onto ionic crystals is well known and recently it was demonstrated that this epitaxial crystallisation can also occur in polymer/polymer systems, under certain conditions. The morphologies and the resulting physical properties of such systems will be presented, especially the influence of epitaxial interfaces on the adhesion of polymer laminates and the mechanical properties of epitaxially crystallized sandwiched layers.Materials used were polyethylene, PE, Lupolen 6021 DX (HDPE) and 1810 D (LDPE) from BASF AG; polypropylene, PP, (PPN) provided by Höchst AG and polybutene-1, PB-1, Vestolen BT from Chemische Werke Hüls. Thin oriented films were prepared according to the method of Petermann and Gohil, by winding up two different polymer films from two separately heated glass-plates simultaneously with the help of a motor driven cylinder. One double layer was used for TEM investigations, while about 1000 sandwiched layers were taken for mechanical tests.

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