Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Macromolecules with programmable shape, size, and chemistry.

ABSTRACT: Shape, size, and composition are the most fundamental design features, enabling highly complex functionalities. Despite recent advances, the independent control of shape, size, and chemistry of macromolecules remains a synthetic challenge. We report a scalable methodology to produce large, well-defined macromolecules with programmable shape, size, and chemistry that combines reactor engineering principles and controlled polymerizations. Specifically, bottlebrush polymers with conical, ellipsoidal, and concave architectures are synthesized using two orthogonal polymerizations. The chemical versatility is highlighted by the synthesis of a compositional asymmetric cone. The strong agreement between predictions and experiments validates the precision that this methodology offers.

SUBMITTER: Walsh DJ

PROVIDER: S-EPMC6358684 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Macromolecules with programmable shape, size, and chemistry.

Walsh Dylan J DJ Guironnet Damien D

Proceedings of the National Academy of Sciences of the United States of America 20190117 5

Shape, size, and composition are the most fundamental design features, enabling highly complex functionalities. Despite recent advances, the independent control of shape, size, and chemistry of macromolecules remains a synthetic challenge. We report a scalable methodology to produce large, well-defined macromolecules with programmable shape, size, and chemistry that combines reactor engineering principles and controlled polymerizations. Specifically, bottlebrush polymers with conical, ellipsoida ...[more]

PMID: 30655343

Similar Datasets

Role of nanoparticle size, shape and surface chemistry in oral drug delivery.

Project description:Nanoparticles find intriguing applications in oral drug delivery since they present a large surface area for interactions with the gastrointestinal tract and can be modified in various ways to address the barriers associated with oral delivery. The size, shape and surface chemistry of nanoparticles can greatly impact cellular uptake and efficacy of the treatment. However, the interplay between particle size, shape and surface chemistry has not been well investigated especially for oral drug delivery. To this end, we prepared sphere-, rod- and disc-shaped nanoparticles and conjugated them with targeting ligands to study the influence of size, shape and surface chemistry on their uptake and transport across intestinal cells. A triple co-culture model of intestinal cells was utilized to more closely mimic the intestinal epithelium. Results demonstrated higher cellular uptake of rod-shaped nanoparticles in the co-culture compared to spheres regardless of the presence of active targeting moieties. Transport of nanorods across the intestinal co-culture was also significantly higher than spheres. The findings indicate that nanoparticle-mediated oral drug delivery can be potentially improved with departure from spherical shape which has been traditionally utilized for the design of nanoparticles. We believe that understanding the role of nanoparticle geometry in intestinal uptake and transport will bring forth a paradigm shift in nanoparticle engineering for oral delivery and non-spherical nanoparticles should be further investigated and considered for oral delivery of therapeutic drugs and diagnostic materials.

| S-EPMC5289391 | biostudies-literature

Shape-programmable magnetic soft matter.

Project description:Shape-programmable matter is a class of active materials whose geometry can be controlled to potentially achieve mechanical functionalities beyond those of traditional machines. Among these materials, magnetically actuated matter is particularly promising for achieving complex time-varying shapes at small scale (overall dimensions smaller than 1 cm). However, previous work can only program these materials for limited applications, as they rely solely on human intuition to approximate the required magnetization profile and actuating magnetic fields for their materials. Here, we propose a universal programming methodology that can automatically generate the required magnetization profile and actuating fields for soft matter to achieve new time-varying shapes. The universality of the proposed method can therefore inspire a vast number of miniature soft devices that are critical in robotics, smart engineering surfaces and materials, and biomedical devices. Our proposed method includes theoretical formulations, computational strategies, and fabrication procedures for programming magnetic soft matter. The presented theory and computational method are universal for programming 2D or 3D time-varying shapes, whereas the fabrication technique is generic only for creating planar beams. Based on the proposed programming method, we created a jellyfish-like robot, a spermatozoid-like undulating swimmer, and an artificial cilium that could mimic the complex beating patterns of its biological counterpart.

| S-EPMC5068264 | biostudies-literature

Shape-preserving elastic solid models of macromolecules.

Project description:Mass-spring models have been a standard approach in molecular modeling for the last few decades, such as elastic network models (ENMs) that are widely used for normal mode analysis. In this work, we present a vastly different elastic solid model (ESM) of macromolecules that shares the same simplicity and efficiency as ENMs in producing the equilibrium dynamics and moreover, offers some significant new features that may greatly benefit the research community. ESM is different from ENM in that it treats macromolecules as elastic solids. Our particular version of ESM presented in this work, named αESM, captures the shape of a given biomolecule most economically using alpha shape, a well-established technique from the computational geometry community. Consequently, it can produce most economical coarse-grained models while faithfully preserving the shape and thus makes normal mode computations and visualization of extremely large complexes more manageable. Secondly, as a solid model, ESM's close link to finite element analysis renders it ideally suited for studying mechanical responses of macromolecules under external force. Lastly, we show that ESM can be applied also to structures without atomic coordinates such as those from cryo-electron microscopy. The complete MATLAB code of αESM is provided.

| S-EPMC7297265 | biostudies-literature

Shape-programmable artificial cilia for microfluidics.

Project description:The artificial ciliary motion has been known not to be hydrodynamically optimal, limiting their associated applications in the microscale flow domain. One of the major hurdles of contemporary artificial cilia is its structural rigidity, which restricts their flexibility. To address this issue, this work proposed a shape-programmable artificial cilia design with distinctive polydimethylsiloxane (PDMS) and magnetic segments distributed throughout the structure, which provided precise control for time-spatial modulation of the whole artificial cilia structure under external magnetic actuation. For the fabrication of the proposed multi-segment artificial cilia, a facile microfabrication process with stepwise mold blocking followed by the PDMS and magnetic composite casting was adopted. The hydrodynamic analysis further elucidated that the proposed artificial cilia beating induced significant flow disturbance within the flow field, and the associated application was demonstrated through an efficient mixing operation.

| S-EPMC8605101 | biostudies-literature

Shape-Programmable Three-Dimensional Microfluidic Structures.

Project description:Microfluidic devices are gaining extensive interest due to their potential applications in wide-ranging areas, including lab-on-a-chip devices, fluid delivery, and artificial vascular networks. Most current microfluidic devices are in a planar design with fixed configurations once formed, which limits their applications such as in engineered vascular networks in biology and programmable drug delivery systems. Here, shape-programmable three-dimensional (3D) microfluidic structures, which are assembled from a bilayer of channel-embedded polydimethylsiloxane (PDMS) and shape-memory polymers (SMPs) via compressive buckling, are reported. 3D microfluidics in diverse geometries including those in open-mesh configurations are presented. In addition, they can be programmed into temporary shapes and recover their original shape under thermal stimuli due to the shape memory effect of the SMP component, with fluid flow in the microfluidic channels well maintained in both deformed and recovered shapes. Furthermore, the shape-fixing effect of SMPs enables freestanding open-mesh 3D microfluidic structures without the need for a substrate to maintain the 3D shape as used in previous studies. By adding magnetic particles into the PDMS layer, magnetically responsive 3D microfluidic structures are enabled to achieve fast, remote programming of the structures via a portable magnet. A 3D design phase diagram is constructed to show the effects of the magnetic PDMS/SMP thickness ratio and the volume fraction of magnetic particles on the shape programmability of the 3D microfluidic structures. The developed shape-programmable, open-mesh 3D microfluidic structures offer many opportunities for applications including tissue engineering, drug delivery, and many others.

| S-EPMC9552124 | biostudies-literature

Interactions between shape-persistent macromolecules as probed by AFM.

Project description:Water-soluble shape-persistent cyclodextrin (CD) polymers with amino-functionalized end groups were prepared starting from diacetylene-modified cyclodextrin monomers by a combined Glaser coupling/click chemistry approach. Structural perfection of the neutral CD polymers and inclusion complex formation with ditopic and monotopic guest molecules were proven by MALDI-TOF and UV-vis measurements. Small-angle neutron and X-ray (SANS/SAXS) scattering experiments confirm the stiffness of the polymer chains with an apparent contour length of about 130 Å. Surface modification of planar silicon wafers as well as AFM tips was realized by covalent bound formation between the terminal amino groups of the CD polymer and a reactive isothiocyanate-silane monolayer. Atomic force measurements of CD polymer decorated surfaces show enhanced supramolecular interaction energies which can be attributed to multiple inclusion complexes based on the rigidity of the polymer backbone and the regular configuration of the CD moieties. Depending on the geometrical configuration of attachment anisotropic adhesion characteristics of the polymer system can be distinguished between a peeling and a shearing mechanism.

| S-EPMC5480325 | biostudies-literature

Monolithic shape-programmable dielectric liquid crystal elastomer actuators.

Project description:Soft robotics may enable many new technologies in which humans and robots physically interact, yet the necessary high-performance soft actuators still do not exist. The optimal soft actuators need to be fast and forceful and have programmable shape changes. Furthermore, they should be energy efficient for untethered applications and easy to fabricate. Here, we combine desirable characteristics from two distinct active material systems: fast and highly efficient actuation from dielectric elastomers and directed shape programmability from liquid crystal elastomers. Via a top-down photoalignment method, we program molecular alignment and localized giant elastic anisotropy into the liquid crystal elastomers. The linearly actuated liquid crystal elastomer monoliths achieve strain rates over 120% per second with an energy conversion efficiency of 20% while moving loads over 700 times the elastomer weight. The electric actuation mechanism offers unprecedented opportunities toward miniaturization with shape programmability, efficiency, and more degrees of freedom for applications in soft robotics and beyond.

| S-EPMC6874483 | biostudies-literature

Boundary curvature guided programmable shape-morphing kirigami sheets.

Project description:Kirigami, a traditional paper cutting art, offers a promising strategy for 2D-to-3D shape morphing through cut-guided deformation. Existing kirigami designs for target 3D curved shapes rely on intricate cut patterns in thin sheets, making the inverse design challenging. Motivated by the Gauss-Bonnet theorem that correlates the geodesic curvature along the boundary with the Gaussian curvature, here, we exploit programming the curvature of cut boundaries rather than the complex cut patterns in kirigami sheets for target 3D curved morphologies through both forward and inverse designs. The strategy largely simplifies the inverse design. Leveraging this strategy, we demonstrate its potential applications as a universal and nondestructive gripper for delicate objects, including live fish, raw egg yolk, and a human hair, as well as dynamically conformable heaters for human knees. This study opens a new avenue to encode boundary curvatures for shape-programing materials with potential applications in soft robotics and wearable devices.

| S-EPMC8792031 | biostudies-literature

A readily programmable, fully reversible shape-switching material.

Project description:Liquid crystalline (LC) elastomers (LCEs) enable large-scale reversible shape changes in polymeric materials; however, they require intensive, irreversible programming approaches in order to facilitate controllable actuation. We have implemented photoinduced dynamic covalent chemistry (DCC) that chemically anneals the LCE toward an applied equilibrium only when and where the light-activated DCC is on. By using light as the stimulus that enables programming, the dynamic bond exchange is orthogonal to LC phase behavior, enabling the LCE to be annealed in any LC phase or in the isotropic phase with various manifestations of this capability explored here. In a photopolymerizable LCE network, we report the synthesis, characterization, and exploitation of readily shape-programmable DCC-functional LCEs to create predictable, complex, and fully reversible shape changes, thus enabling the literal square peg to fit into a round hole.

| S-EPMC6108565 | biostudies-literature

The mechanisms of RNA SHAPE chemistry.

Project description:The biological functions of RNA are ultimately governed by the local environment at each nucleotide. Selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE) chemistry is a powerful approach for measuring nucleotide structure and dynamics in diverse biological environments. SHAPE reagents acylate the 2'-hydroxyl group at flexible nucleotides because unconstrained nucleotides preferentially sample rare conformations that enhance the nucleophilicity of the 2'-hydroxyl. The critical corollary is that some constrained nucleotides must be poised for efficient reaction at the 2'-hydroxyl group. To identify such nucleotides, we performed SHAPE on intact crystals of the Escherichia coli ribosome, monitored the reactivity of 1490 nucleotides in 16S rRNA, and examined those nucleotides that were hyper-reactive toward SHAPE and had well-defined crystallographic conformations. Analysis of these conformations revealed that 2'-hydroxyl reactivity is broadly facilitated by general base catalysis involving multiple RNA functional groups and by two specific orientations of the bridging 3'-phosphate group. Nucleotide analog studies confirmed the contributions of these mechanisms to SHAPE reactivity. These results provide a strong mechanistic explanation for the relationship between SHAPE reactivity and local RNA dynamics and will facilitate interpretation of SHAPE information in the many technologies that make use of this chemistry.

| S-EPMC4337229 | 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