Functional protein materials: beyond elastomeric and structural proteins

2019 ◽  
Vol 10 (23) ◽  
pp. 2952-2959 ◽  
Author(s):  
Nathan A. Carter ◽  
Tijana Z. Grove
Keyword(s):  
Material Properties ◽  
Rational Design ◽  
Complex Structure ◽  
Structural Proteins ◽  
Structure Property ◽  
Functional Protein ◽  
The Past ◽  
Structure Property Relationships ◽  
Biological Structures ◽  
And Function

In the past two decades researchers have shown great interest in mimicking biological structures and their complex structure–property relationships. Herein we highlight examples of hydrogels and bioelectronic materials that illustrate the rational design of material properties and function.

Structural modification strategies for the rational design of red/NIR region BODIPYs

2014 ◽  
Vol 43 (13) ◽  
pp. 4778-4823 ◽  
Author(s):  
Hua Lu ◽  
John Mack ◽  
Yongchao Yang ◽  
Zhen Shen
Keyword(s):  
Rational Design ◽  
Structural Modification ◽  
Photophysical Properties ◽  
Structure Property ◽  
Structure Property Relationships

The structure–property relationships of red/NIR region BODIPY dyes is analyzed, so that trends in their photophysical properties can be readily compared.

Characterization of Aerogels – Challenges and Prospects

2014 ◽  
Vol 91 ◽  
pp. 54-63 ◽  
Author(s):  
Gudrun Reichenauer
Keyword(s):  
Catalyst Support ◽  
Optical Devices ◽  
Structure Property ◽  
Severe Problem ◽  
The Past ◽  
Structure Property Relationships ◽  
Potential Applications ◽  
Directed Development ◽  
Non Destructive

Aerogels are porous materials with potential applications in fields ranging from thermal insulation, catalyst support, filters, electrical storage, components in optical devices, mechanical damping all the way to drug release. However, careful reliable characterization is the base for both, understanding of fundamental structure - property relationships as well as a directed development of materials and composites for specific applications. The review therefore addressed severe problem upon aerogel characterization that have been identified in the past and presents reliable non-destructive alternatives and novel methods that can be applied for the characterization of aerogels as well as their gel precursors.

scholarly journals Connecting Structure–Property and Structure–Function Relationships across the Disciplines of Chemistry and Biology: Exploring Student Perceptions

2018 ◽  
Vol 17 (2) ◽  
pp. ar33 ◽  
Author(s):  
Kathryn P. Kohn ◽  
Sonia M. Underwood ◽  
Melanie M. Cooper
Keyword(s):  
University Students ◽  
Structure Function ◽  
Student Perceptions ◽  
Structure Property ◽  
Science Courses ◽  
Structure Property Relationships ◽  
Determine Function ◽  
And Function ◽  
Support Students ◽  
Conceptual Relationship

While many university students take science courses in multiple disciplines, little is known about how they perceive common concepts from different disciplinary perspectives. Structure–property and structure–function relationships have long been considered important explanatory concepts in the disciplines of chemistry and biology, respectively. Fourteen university students concurrently enrolled in introductory chemistry and biology courses were interviewed to explore their perceptions regarding 1) the meaning of structure, properties, and function; 2) the presentation of these concepts in their courses; and 3) how these concepts might be related. Findings suggest that the concepts of structure and properties were interpreted similarly between chemistry and biology, but students more closely associated the discussion of structure–property relationships with their chemistry courses and structure–function with biology. Despite receiving little in the way of instructional support, nine students proposed a coherent conceptual relationship, indicating that structure determines properties, which determine function. Furthermore, students described ways in which they connected and benefited from their understanding. Though many students are prepared to make these connections, we would encourage instructors to engage in cross-disciplinary conversations to understand the shared goals and disciplinary distinctions regarding these important concepts in an effort to better support students unable to construct these connections for themselves.

scholarly journals Rational design of metal–organic frameworks with anticipated porosities and functionalities

CrystEngComm ◽  
2014 ◽  
Vol 16 (20) ◽  
pp. 4069-4083 ◽  
Author(s):  
Muwei Zhang ◽  
Mathieu Bosch ◽  
Thomas Gentle III ◽  
Hong-Cai Zhou
Keyword(s):  
Rational Design ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Systematic Overview ◽  
Structure Property Relationships ◽  
Recent Advances ◽  
Metal Organic

This highlight review will outline the recent advances on rational design of MOFs from both our and other groups based on their structure–property relationships, and provide a systematic overview of different methods for rational design of MOFs with desired porosities and functionalities.

Push-pull type Co(III)corroles: Synthesis, electronic structure and electrochemical catalysis

2021 ◽  
pp. A-I
Author(s):  
Yingjie Niu ◽  
Weihua Zhu ◽  
John Mack ◽  
Nadine Dubazana ◽  
Tebello Nyokong ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Electrochemical Properties ◽  
Rational Design ◽  
Structure Property ◽  
Electrochemical Catalysis ◽  
Highly Efficient ◽  
Structure Property Relationships ◽  
Td Dft ◽  
Push And Pull

The rational design and preparation of three A2B type Co(III)triarylcorroles with push- and pull-substituents are reported. The structure-property relationships were identified by comparing their optically spectroscopic and electrochemical properties to trends predicted in DFT and TD-DFT calculations. The results demonstrate that the Co(III)triarylcorroles are highly efficient catalysts for electrocatalyzed hydrogen evolutions (HERs) and oxygen reductions (ORRs), and that their reactivity can be modulated by changing the meso-B-substituent of the Co(III)Corroles.

Rational design of molecularly engineered biomimetic threshold scale inhibitors

2018 ◽  
Vol 6 (47) ◽  
pp. 24058-24065 ◽  
Author(s):  
Amir Sheikhi ◽  
Na Li ◽  
Søren Leth Mejlsøe ◽  
Enzo Bomal ◽  
Theo G. M. van de Ven ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Rational Design ◽  
Industrial Scale ◽  
Mechanistic Study ◽  
Optimum Structure ◽  
Structure Property ◽  
Structure Property Relationships

We have engineered the molecular structure of dendrimers/dendrons to provide the first mechanistic study on the structure–property relationships of macromolecular antiscalants based on which an optimum structure has been developed to prevail the performance of the most efficient industrial scale inhibitors.

scholarly journals Determination and validation of the elastic moduli of small and complex biological samples: bone and keratin in bird beaks

2011 ◽  
Vol 9 (71) ◽  
pp. 1381-1388 ◽  
Author(s):  
Joris Soons ◽  
Anthony Herrel ◽  
Peter Aerts ◽  
Joris Dirckx
Keyword(s):  
Material Properties ◽  
Inverse Analysis ◽  
Elastic Moduli ◽  
Speckle Pattern ◽  
Complex Structure ◽  
Complex Nature ◽  
Digital Speckle Pattern Interferometry ◽  
Biological Structures ◽  
Out Of Plane ◽  
Bilayered Structure

In recent years, there has been a surge in the development of finite-element (FE) models aimed at testing biological hypotheses. For example, recent modelling efforts suggested that the beak in Darwin's finches probably evolved in response to fracture avoidance. However, knowledge of the material properties of the structures involved is crucial for any model. For many biological structures, these data are not available and may be difficult to obtain experimentally given the complex nature of biological structures. Beaks are interesting as they appear to be highly optimized in some cases. In order to understand the biomechanics of this small and complex structure, we have been developing FE models that take into account the bilayered structure of the beak consisting of bone and keratin. Here, we present the results of efforts related to the determination and validation of the elastic modulus of bone and keratin in bird beaks. The elastic moduli of fresh and dried samples were obtained using a novel double-indentation technique and through an inverse analysis. A bending experiment is used for the inverse analysis and the validation of the measurements. The out-of-plane displacements during loading are measured using digital speckle pattern interferometry.

Rational Design of Nanostructured Hybrid Materials for Photovoltaics

2009 ◽  
Vol 1190 ◽  
Author(s):  
Ioan Botiz ◽  
Seth B Darling
Keyword(s):  
Rational Design ◽  
Structure Property ◽  
Structure Directing Agent ◽  
Energy Devices ◽  
Organic Hybrid ◽  
Structure Property Relationships ◽  
Molecular Dimension ◽  
Donor Acceptor ◽  
Active Donor ◽  
Nanoscale Morphology

AbstractTo develop efficient organic and/or hybrid organic-inorganic solar energy devices, it is necessary to use, among other components, an active donor–acceptor layer with highly ordered nanoscale morphology. In an idealized morphology, the effectiveness of internal processes is optimized leading to an efficient conversion of photons to electricity. Using a poly(3-hexylthiophene)-block-poly(L-lactide) rod-coil block copolymer as a structure-directing agent, we have rationally designed and developed an ordered nanoscale morphology consisting of self-assembled poly(3-hexylthiophene) donor domains of molecular dimension, each of them separated by fullerene C60 hydroxide acceptor domains. Using this morphological control, one can begin to probe structure-property relationships with unprecedented detail with the ultimate goal of maximizing the performance of future organic/hybrid photovoltaic devices.

Learning and Prediction of Complex Molecular Structure-Property Relationships

2011 ◽  
pp. 257-273
Author(s):  
Rahul Singh
Keyword(s):  
Learning Strategy ◽  
Molecular Descriptors ◽  
Complex Structure ◽  
Complex Nature ◽  
Structure Property ◽  
Structural Variations ◽  
Drug Molecules ◽  
Structure Property Relationships ◽  
Error Measures ◽  
Experimental Process

The problem of modeling and predicting complex structure-property relationships, such as the absorption, distribution, metabolism, and excretion of putative drug molecules is a fundamental one in contemporary drug discovery. An accurate model can not only be used to predict the behavior of a molecule and understand how structural variations may influence molecular property, but also to identify regions of molecular space that hold promise in context of a specific investigation. However, a variety of factors contribute to the difficulty of constructing robust structure activity models for such complex properties. These include conceptual issues related to how well the true bio-chemical property is accounted for by formulation of the specific learning strategy, algorithmic issues associated with determining the proper molecular descriptors, access to small quantities of data, possibly on tens of molecules only, due to the high cost and complexity of the experimental process, and the complex nature of bio-chemical phenomena underlying the data. This chapter attempts to address this problem from the rudiments: the authors first identify and discuss the salient computational issues that span (and complicate) structure-property modeling formulations and present a brief review of the state-of-the-art. The authors then consider a specific problem: that of modeling intestinal drug absorption, where many of the aforementioned factors play a role. In addressing them, their solution uses a novel characterization of molecular space based on the notion of surface-based molecular similarity. This is followed by identifying a statistically relevant set of molecular descriptors, which along with an appropriate machine learning technique, is used to build the structure-property model. The authors propose simultaneous use of both ratio and ordinal error-measures for model construction and validation. The applicability of the approach is demonstrated in a real world case study.

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